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 2r92_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 0.000 176.080 176.094 -0.023 0.000 1.182 2 V CA 0.000 62.281 62.300 -0.032 0.000 1.235 2 V CB 0.000 31.801 31.823 -0.036 0.000 1.184 3 G N 3.696 112.481 108.800 -0.025 0.000 2.194 3 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.236 3 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.236 3 G C 0.219 175.107 174.900 -0.019 0.000 0.987 3 G CA 0.627 45.714 45.100 -0.022 0.000 0.635 3 G HN 1.761 nan 8.290 nan 0.000 0.520 4 Q N -0.776 119.013 119.800 -0.018 0.000 3.234 4 Q HA -0.156 4.184 4.340 -0.000 0.000 0.062 4 Q C 0.147 176.147 176.000 0.000 0.000 1.717 4 Q CA 1.495 57.290 55.803 -0.013 0.000 0.239 4 Q CB -0.282 28.441 28.738 -0.025 0.000 0.630 4 Q HN 1.187 nan 8.270 nan 0.000 0.335 5 Q N -0.631 119.179 119.800 0.017 0.000 3.120 5 Q HA -0.181 4.159 4.340 -0.000 0.000 0.070 5 Q C -1.374 174.672 176.000 0.077 0.000 1.644 5 Q CA 0.249 56.075 55.803 0.038 0.000 0.291 5 Q CB -0.264 28.481 28.738 0.011 0.000 0.583 5 Q HN 0.534 nan 8.270 nan 0.000 0.322 6 Y N 2.755 123.043 120.300 -0.020 0.000 2.397 6 Y HA 0.418 4.968 4.550 -0.000 0.000 0.335 6 Y C -0.054 175.839 175.900 -0.011 0.000 1.213 6 Y CA 0.673 58.764 58.100 -0.016 0.000 1.391 6 Y CB 0.970 39.421 38.460 -0.014 0.000 1.293 6 Y HN 0.445 nan 8.280 nan 0.000 0.557 7 S N 2.003 117.212 115.700 -0.818 0.000 2.614 7 S HA 0.297 4.766 4.470 -0.000 0.000 0.288 7 S C 0.110 174.153 174.600 -0.928 0.000 1.137 7 S CA -0.271 57.479 58.200 -0.750 0.000 0.992 7 S CB 1.066 64.092 63.200 -0.291 0.000 1.026 7 S HN 0.827 nan 8.310 nan 0.000 0.486 8 S N 1.625 116.899 115.700 -0.711 0.000 2.584 8 S HA 0.211 4.681 4.470 -0.000 0.000 0.240 8 S C 0.914 175.428 174.600 -0.144 0.000 0.975 8 S CA 0.045 58.051 58.200 -0.322 0.000 0.949 8 S CB -0.763 62.344 63.200 -0.155 0.000 0.761 8 S HN 1.287 nan 8.310 nan 0.000 0.536 9 A N 3.497 126.217 122.820 -0.165 0.000 2.401 9 A HA 0.558 4.878 4.320 -0.000 0.000 0.259 9 A C -1.508 176.055 177.584 -0.034 0.000 1.103 9 A CA -1.445 50.544 52.037 -0.079 0.000 0.789 9 A CB -0.067 18.886 19.000 -0.078 0.000 1.035 9 A HN 0.399 nan 8.150 nan 0.000 0.491 10 P HA 0.444 nan 4.420 nan 0.000 0.276 10 P C -0.892 176.409 177.300 0.002 0.000 1.244 10 P CA -0.280 62.825 63.100 0.008 0.000 0.801 10 P CB 1.043 32.747 31.700 0.007 0.000 1.006 11 L N 0.724 121.953 121.223 0.009 0.000 2.381 11 L HA 0.670 5.010 4.340 -0.000 0.000 0.274 11 L C -0.507 176.363 176.870 -0.001 0.000 0.988 11 L CA -0.789 54.053 54.840 0.002 0.000 0.824 11 L CB 2.179 44.242 42.059 0.007 0.000 1.263 11 L HN 0.305 nan 8.230 nan 0.000 0.410 12 R N 1.564 122.059 120.500 -0.008 0.000 3.018 12 R HA 0.695 5.035 4.340 -0.000 0.000 0.243 12 R C -0.911 175.379 176.300 -0.017 0.000 1.315 12 R CA -0.621 55.472 56.100 -0.011 0.000 1.039 12 R CB 2.200 32.493 30.300 -0.012 0.000 1.315 12 R HN 0.802 nan 8.270 nan 0.000 0.492 13 T N -1.605 112.937 114.554 -0.020 0.000 2.829 13 T HA 0.343 4.693 4.350 -0.000 0.000 0.280 13 T C 0.108 174.789 174.700 -0.032 0.000 0.999 13 T CA -0.802 61.283 62.100 -0.026 0.000 0.983 13 T CB 1.617 70.469 68.868 -0.026 0.000 0.968 13 T HN 0.170 nan 8.240 nan 0.000 0.446 14 V N 4.391 124.283 119.914 -0.038 0.000 2.509 14 V HA 0.041 4.161 4.120 -0.000 0.000 0.297 14 V C 1.293 177.357 176.094 -0.050 0.000 1.014 14 V CA 0.289 62.560 62.300 -0.049 0.000 1.127 14 V CB -0.245 31.545 31.823 -0.055 0.000 0.925 14 V HN 0.894 nan 8.190 nan 0.000 0.480 15 K N 3.380 123.748 120.400 -0.052 0.000 2.335 15 K HA 0.273 4.593 4.320 -0.000 0.000 0.195 15 K C 0.360 176.923 176.600 -0.062 0.000 1.058 15 K CA 0.394 56.652 56.287 -0.047 0.000 0.988 15 K CB 0.926 33.405 32.500 -0.035 0.000 0.880 15 K HN 0.736 nan 8.250 nan 0.000 0.513 16 E N 0.476 120.626 120.200 -0.084 0.000 2.416 16 E HA 0.427 4.777 4.350 -0.000 0.000 0.273 16 E C -1.300 175.193 176.600 -0.179 0.000 0.935 16 E CA -0.899 55.431 56.400 -0.116 0.000 0.784 16 E CB 2.969 32.610 29.700 -0.098 0.000 1.301 16 E HN -0.280 nan 8.360 nan 0.000 0.454 17 V N 1.945 121.697 119.914 -0.270 0.000 2.488 17 V HA 0.193 4.313 4.120 -0.000 0.000 0.293 17 V C -0.787 174.947 176.094 -0.600 0.000 1.027 17 V CA -0.884 61.147 62.300 -0.449 0.000 0.862 17 V CB 1.513 32.996 31.823 -0.567 0.000 1.008 17 V HN 0.528 nan 8.190 nan 0.000 0.428 18 Q N 4.059 123.551 119.800 -0.515 0.000 2.390 18 Q HA 0.480 4.820 4.340 -0.000 0.000 0.249 18 Q C -0.878 174.843 176.000 -0.465 0.000 0.996 18 Q CA -0.043 55.467 55.803 -0.488 0.000 0.899 18 Q CB 1.285 29.684 28.738 -0.564 0.000 1.216 18 Q HN 0.669 nan 8.270 nan 0.000 0.465 19 F N 1.045 120.881 119.950 -0.191 0.000 2.420 19 F HA 0.520 5.047 4.527 -0.000 0.000 0.352 19 F C 1.199 176.904 175.800 -0.159 0.000 1.108 19 F CA -0.374 57.532 58.000 -0.156 0.000 1.162 19 F CB 1.384 40.343 39.000 -0.069 0.000 1.118 19 F HN 0.501 nan 8.300 nan 0.000 0.510 20 G N 3.519 112.331 108.800 0.020 0.000 3.058 20 G HA2 0.775 4.735 3.960 -0.000 0.000 0.282 20 G HA3 0.775 4.735 3.960 -0.000 0.000 0.282 20 G C -1.602 173.266 174.900 -0.053 0.000 1.248 20 G CA -0.817 44.262 45.100 -0.035 0.000 0.822 20 G HN 0.447 nan 8.290 nan 0.000 0.579 21 L N -0.602 120.538 121.223 -0.137 0.000 2.350 21 L HA 0.530 4.870 4.340 -0.000 0.000 0.260 21 L C -1.170 175.419 176.870 -0.468 0.000 1.015 21 L CA -0.760 54.011 54.840 -0.114 0.000 0.821 21 L CB 2.667 44.805 42.059 0.131 0.000 1.370 21 L HN 0.400 nan 8.230 nan 0.000 0.416 22 F N 0.766 120.509 119.950 -0.346 0.000 2.438 22 F HA 0.175 4.702 4.527 -0.000 0.000 0.356 22 F C 0.806 176.166 175.800 -0.732 0.000 1.099 22 F CA -0.152 57.575 58.000 -0.455 0.000 1.185 22 F CB 1.514 40.361 39.000 -0.255 0.000 1.115 22 F HN 0.417 nan 8.300 nan 0.000 0.526 23 S N 5.779 121.093 115.700 -0.644 0.000 2.465 23 S HA 0.201 4.671 4.470 -0.000 0.000 0.279 23 S C -1.685 172.967 174.600 0.086 0.000 1.201 23 S CA -1.342 56.577 58.200 -0.469 0.000 1.053 23 S CB 1.118 64.270 63.200 -0.080 0.000 0.953 23 S HN 0.445 nan 8.310 nan 0.000 0.488 24 P HA -0.236 nan 4.420 nan 0.000 0.219 24 P C 0.857 178.242 177.300 0.142 0.000 1.151 24 P CA 1.536 64.740 63.100 0.173 0.000 0.850 24 P CB 0.167 31.991 31.700 0.207 0.000 0.784 25 E N 0.200 120.506 120.200 0.177 0.000 2.017 25 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 25 E C 2.222 178.876 176.600 0.089 0.000 0.997 25 E CA 1.399 57.877 56.400 0.130 0.000 0.804 25 E CB -0.997 28.796 29.700 0.156 0.000 0.757 25 E HN 0.421 nan 8.360 nan 0.000 0.448 26 E N 0.501 120.767 120.200 0.109 0.000 2.065 26 E HA -0.250 4.100 4.350 -0.000 0.000 0.201 26 E C 1.999 178.650 176.600 0.086 0.000 1.016 26 E CA 1.939 58.407 56.400 0.113 0.000 0.818 26 E CB -0.123 29.665 29.700 0.147 0.000 0.749 26 E HN 0.070 nan 8.360 nan 0.000 0.453 27 V N 1.019 120.966 119.914 0.056 0.000 2.313 27 V HA -0.360 3.760 4.120 -0.000 0.000 0.253 27 V C 2.502 178.517 176.094 -0.131 0.000 1.070 27 V CA 2.511 64.718 62.300 -0.156 0.000 1.057 27 V CB -0.647 31.076 31.823 -0.166 0.000 0.653 27 V HN 0.315 nan 8.190 nan 0.000 0.450 28 R N -0.301 120.136 120.500 -0.104 0.000 2.057 28 R HA -0.044 4.296 4.340 -0.000 0.000 0.229 28 R C 2.531 178.717 176.300 -0.191 0.000 1.136 28 R CA 1.322 57.269 56.100 -0.254 0.000 0.952 28 R CB -0.716 29.507 30.300 -0.129 0.000 0.848 28 R HN 0.525 nan 8.270 nan 0.000 0.430 29 A N 1.891 124.668 122.820 -0.072 0.000 1.869 29 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 29 A C 2.207 179.767 177.584 -0.040 0.000 1.203 29 A CA 1.779 53.795 52.037 -0.036 0.000 0.638 29 A CB -0.846 18.159 19.000 0.009 0.000 0.831 29 A HN 0.219 nan 8.150 nan 0.000 0.450 30 I N -0.326 120.230 120.570 -0.022 0.000 2.118 30 I HA -0.185 3.985 4.170 -0.000 0.000 0.241 30 I C 1.709 177.826 176.117 0.001 0.000 1.070 30 I CA 1.000 62.301 61.300 0.001 0.000 1.327 30 I CB -0.716 37.284 38.000 -0.000 0.000 1.034 30 I HN 0.363 nan 8.210 nan 0.000 0.405 31 S N 0.412 116.085 115.700 -0.045 0.000 2.571 31 S HA -0.024 4.445 4.470 -0.000 0.000 0.298 31 S C 0.674 175.271 174.600 -0.006 0.000 1.280 31 S CA 0.305 58.498 58.200 -0.012 0.000 1.052 31 S CB 0.826 63.947 63.200 -0.132 0.000 0.799 31 S HN 0.281 nan 8.310 nan 0.000 0.501 32 V N 1.807 121.753 119.914 0.053 0.000 3.253 32 V HA 0.791 4.911 4.120 -0.000 0.000 0.320 32 V C 0.055 176.179 176.094 0.050 0.000 1.442 32 V CA 0.419 62.737 62.300 0.029 0.000 1.097 32 V CB -0.411 31.417 31.823 0.008 0.000 1.008 32 V HN 1.040 nan 8.190 nan 0.000 0.463 33 A N 0.413 123.293 122.820 0.101 0.000 2.540 33 A HA 0.712 5.032 4.320 -0.000 0.000 0.297 33 A C 0.534 178.251 177.584 0.222 0.000 1.056 33 A CA -0.519 51.591 52.037 0.122 0.000 0.700 33 A CB 1.512 20.563 19.000 0.085 0.000 1.280 33 A HN -0.001 nan 8.150 nan 0.000 0.398 34 K N 1.361 121.867 120.400 0.177 0.000 1.973 34 K HA 0.067 4.387 4.320 -0.000 0.000 0.212 34 K C 0.566 177.173 176.600 0.012 0.000 1.047 34 K CA 1.637 58.014 56.287 0.149 0.000 0.937 34 K CB -0.518 32.053 32.500 0.118 0.000 0.721 34 K HN 1.182 nan 8.250 nan 0.000 0.440 35 I N 1.663 122.271 120.570 0.063 0.000 6.472 35 I HA -0.212 3.958 4.170 -0.000 0.000 0.126 35 I C 0.694 176.835 176.117 0.039 0.000 1.826 35 I CA -0.113 61.217 61.300 0.051 0.000 2.037 35 I CB -0.195 37.802 38.000 -0.006 0.000 3.494 35 I HN 0.236 nan 8.210 nan 0.000 0.169 36 R N 1.971 122.564 120.500 0.155 0.000 2.146 36 R HA 0.252 4.592 4.340 -0.000 0.000 0.206 36 R C 0.438 176.721 176.300 -0.029 0.000 1.049 36 R CA 1.004 57.119 56.100 0.024 0.000 1.029 36 R CB 0.046 30.320 30.300 -0.044 0.000 0.949 36 R HN 0.295 nan 8.270 nan 0.000 0.471 37 F N 2.066 121.999 119.950 -0.029 0.000 2.370 37 F HA 0.297 4.824 4.527 -0.000 0.000 0.324 37 F C -1.109 174.676 175.800 -0.025 0.000 1.116 37 F CA -2.624 55.362 58.000 -0.023 0.000 1.123 37 F CB 0.357 39.347 39.000 -0.016 0.000 1.238 37 F HN -0.120 nan 8.300 nan 0.000 0.536 38 P HA 0.073 nan 4.420 nan 0.000 0.260 38 P C -0.368 176.976 177.300 0.072 0.000 1.222 38 P CA 0.376 63.523 63.100 0.078 0.000 0.843 38 P CB 0.527 32.247 31.700 0.034 0.000 1.159 39 E N -0.119 120.139 120.200 0.098 0.000 2.435 39 E HA 0.110 4.459 4.350 -0.000 0.000 0.254 39 E C 0.666 177.292 176.600 0.043 0.000 1.289 39 E CA 0.191 56.627 56.400 0.060 0.000 0.983 39 E CB 0.191 29.930 29.700 0.065 0.000 1.010 39 E HN -0.073 nan 8.360 nan 0.000 0.509 40 T N -0.306 114.267 114.554 0.031 0.000 3.031 40 T HA 0.075 4.425 4.350 -0.000 0.000 0.236 40 T C 1.097 175.791 174.700 -0.011 0.000 1.005 40 T CA 0.839 62.953 62.100 0.023 0.000 1.230 40 T CB 0.113 69.007 68.868 0.044 0.000 0.913 40 T HN 0.389 nan 8.240 nan 0.000 0.419 41 M N -0.467 119.125 119.600 -0.013 0.000 2.033 41 M HA 0.390 4.869 4.480 -0.000 0.000 0.414 41 M C -1.301 174.979 176.300 -0.033 0.000 2.177 41 M CA -0.712 54.568 55.300 -0.034 0.000 1.407 41 M CB 0.259 32.845 32.600 -0.024 0.000 3.038 41 M HN -0.231 nan 8.290 nan 0.000 0.898 42 D N 3.064 123.450 120.400 -0.022 0.000 3.514 42 D HA -0.124 4.516 4.640 -0.000 0.000 0.213 42 D C -0.753 175.530 176.300 -0.028 0.000 1.118 42 D CA 0.682 54.672 54.000 -0.017 0.000 1.071 42 D CB -0.291 40.508 40.800 -0.003 0.000 0.781 42 D HN 0.547 nan 8.370 nan 0.000 0.384 43 E N 0.737 120.916 120.200 -0.035 0.000 3.079 43 E HA 0.045 4.395 4.350 -0.000 0.000 0.267 43 E C 0.106 176.693 176.600 -0.023 0.000 1.509 43 E CA 0.101 56.475 56.400 -0.043 0.000 1.630 43 E CB -0.177 29.497 29.700 -0.042 0.000 1.373 43 E HN 0.368 nan 8.360 nan 0.000 0.439 44 T N 0.568 115.114 114.554 -0.014 0.000 4.274 44 T HA -0.171 4.179 4.350 -0.000 0.000 0.351 44 T C 0.465 175.164 174.700 -0.002 0.000 0.755 44 T CA 0.526 62.624 62.100 -0.002 0.000 2.004 44 T CB -1.479 67.389 68.868 0.000 0.000 1.858 44 T HN 0.631 nan 8.240 nan 0.000 0.939 45 Q N -2.294 117.505 119.800 -0.001 0.000 3.505 45 Q HA -0.180 4.159 4.340 -0.000 0.000 0.190 45 Q C 0.257 176.256 176.000 -0.002 0.000 1.642 45 Q CA 1.924 57.727 55.803 0.001 0.000 0.959 45 Q CB -1.724 27.016 28.738 0.003 0.000 0.844 45 Q HN 0.743 nan 8.270 nan 0.000 0.983 46 T N 2.888 117.438 114.554 -0.006 0.000 2.831 46 T HA 0.141 4.491 4.350 -0.000 0.000 0.291 46 T C 0.239 174.932 174.700 -0.012 0.000 0.981 46 T CA 0.233 62.328 62.100 -0.009 0.000 1.174 46 T CB 0.273 69.134 68.868 -0.012 0.000 0.929 46 T HN 0.112 nan 8.240 nan 0.000 0.532 47 R N 2.058 122.553 120.500 -0.009 0.000 2.491 47 R HA 0.532 4.872 4.340 -0.000 0.000 0.283 47 R C 0.590 176.880 176.300 -0.017 0.000 1.072 47 R CA -0.010 56.084 56.100 -0.010 0.000 1.048 47 R CB 0.521 30.817 30.300 -0.005 0.000 0.983 47 R HN 0.855 nan 8.270 nan 0.000 0.450 48 A N 2.225 125.032 122.820 -0.022 0.000 4.379 48 A HA 0.222 4.541 4.320 -0.000 0.000 0.104 48 A C -1.538 176.026 177.584 -0.034 0.000 1.250 48 A CA -0.778 51.242 52.037 -0.028 0.000 1.448 48 A CB 0.587 19.567 19.000 -0.033 0.000 1.692 48 A HN 0.532 nan 8.150 nan 0.000 0.785 49 K N 0.124 120.495 120.400 -0.048 0.000 2.571 49 K HA 0.596 4.916 4.320 -0.000 0.000 0.252 49 K C -1.400 175.143 176.600 -0.096 0.000 0.956 49 K CA -0.428 55.823 56.287 -0.060 0.000 0.822 49 K CB 2.128 34.599 32.500 -0.048 0.000 1.286 49 K HN 0.552 nan 8.250 nan 0.000 0.439 50 I N 1.250 121.738 120.570 -0.137 0.000 2.638 50 I HA 0.027 4.197 4.170 -0.000 0.000 0.286 50 I C 1.544 177.504 176.117 -0.261 0.000 1.088 50 I CA 0.200 61.352 61.300 -0.246 0.000 1.397 50 I CB 0.945 38.718 38.000 -0.379 0.000 1.414 50 I HN 0.962 nan 8.210 nan 0.000 0.566 51 G N 4.124 112.746 108.800 -0.296 0.000 3.194 51 G HA2 0.042 4.002 3.960 -0.000 0.000 0.208 51 G HA3 0.042 4.002 3.960 -0.000 0.000 0.208 51 G C 0.898 175.671 174.900 -0.212 0.000 1.240 51 G CA 0.520 45.502 45.100 -0.197 0.000 1.044 51 G HN 0.931 nan 8.290 nan 0.000 0.495 52 G N -0.252 108.366 108.800 -0.304 0.000 2.680 52 G HA2 0.381 4.341 3.960 -0.000 0.000 0.224 52 G HA3 0.381 4.341 3.960 -0.000 0.000 0.224 52 G C 0.470 175.396 174.900 0.043 0.000 1.454 52 G CA -0.234 44.825 45.100 -0.067 0.000 0.900 52 G HN 0.374 nan 8.290 nan 0.000 0.570 53 L N 0.596 121.828 121.223 0.016 0.000 2.397 53 L HA 0.343 4.683 4.340 -0.000 0.000 0.266 53 L C -0.108 176.757 176.870 -0.008 0.000 1.040 53 L CA -0.742 54.109 54.840 0.018 0.000 0.800 53 L CB 0.997 43.074 42.059 0.030 0.000 1.324 53 L HN 0.765 nan 8.230 nan 0.000 0.469 54 N N 0.959 119.653 118.700 -0.009 0.000 2.594 54 N HA -0.274 4.466 4.740 -0.000 0.000 0.331 54 N C -0.538 174.958 175.510 -0.023 0.000 1.147 54 N CA 0.977 54.014 53.050 -0.020 0.000 0.757 54 N CB -0.623 37.849 38.487 -0.024 0.000 1.015 54 N HN 0.761 nan 8.380 nan 0.000 0.574 55 D N 0.009 120.399 120.400 -0.016 0.000 2.838 55 D HA -0.066 4.574 4.640 -0.000 0.000 0.237 55 D C -2.216 174.072 176.300 -0.019 0.000 1.059 55 D CA 0.282 54.274 54.000 -0.013 0.000 0.763 55 D CB -0.581 40.208 40.800 -0.019 0.000 1.070 55 D HN 0.546 nan 8.370 nan 0.000 0.437 56 P HA 0.251 nan 4.420 nan 0.000 0.253 56 P C 0.563 177.863 177.300 -0.001 0.000 1.260 56 P CA 0.422 63.515 63.100 -0.011 0.000 0.800 56 P CB 0.434 32.145 31.700 0.018 0.000 1.162 57 R N -4.592 115.908 120.500 0.000 0.000 1.517 57 R HA 0.002 4.342 4.340 -0.000 0.000 0.031 57 R C 0.419 176.725 176.300 0.010 0.000 0.808 57 R CA -0.164 55.934 56.100 -0.003 0.000 3.430 57 R CB -1.096 29.201 30.300 -0.005 0.000 0.724 57 R HN 0.018 nan 8.270 nan 0.000 0.578 58 L N 1.737 122.980 121.223 0.033 0.000 2.342 58 L HA 0.174 4.514 4.340 -0.000 0.000 0.258 58 L C 1.260 178.178 176.870 0.079 0.000 1.284 58 L CA 1.648 56.533 54.840 0.075 0.000 0.811 58 L CB -0.410 41.676 42.059 0.045 0.000 1.070 58 L HN 0.304 nan 8.230 nan 0.000 0.625 59 G N 0.202 109.054 108.800 0.087 0.000 2.492 59 G HA2 0.288 4.248 3.960 -0.000 0.000 0.353 59 G HA3 0.288 4.248 3.960 -0.000 0.000 0.353 59 G C -0.108 174.800 174.900 0.013 0.000 1.297 59 G CA 0.534 45.663 45.100 0.048 0.000 1.192 59 G HN 1.346 nan 8.290 nan 0.000 0.677 60 S N -2.239 113.457 115.700 -0.006 0.000 2.973 60 S HA 0.785 5.254 4.470 -0.000 0.000 0.317 60 S C -0.251 174.332 174.600 -0.028 0.000 1.196 60 S CA -0.366 57.825 58.200 -0.015 0.000 0.894 60 S CB 1.163 64.359 63.200 -0.007 0.000 1.292 60 S HN 0.726 nan 8.310 nan 0.000 0.614 61 I N -1.250 119.304 120.570 -0.027 0.000 3.916 61 I HA 0.427 4.597 4.170 -0.000 0.000 0.277 61 I C -0.340 175.760 176.117 -0.029 0.000 1.112 61 I CA -0.812 60.468 61.300 -0.034 0.000 1.349 61 I CB 0.173 38.150 38.000 -0.038 0.000 1.205 61 I HN 0.731 nan 8.210 nan 0.000 0.400 62 D N 1.865 122.247 120.400 -0.030 0.000 2.994 62 D HA -0.219 4.420 4.640 -0.000 0.000 0.220 62 D C -0.252 176.035 176.300 -0.021 0.000 1.189 62 D CA 1.011 54.996 54.000 -0.024 0.000 0.810 62 D CB -0.151 40.638 40.800 -0.020 0.000 1.067 62 D HN 0.457 nan 8.370 nan 0.000 0.399 63 R N -0.566 119.921 120.500 -0.022 0.000 3.209 63 R HA -0.171 4.169 4.340 -0.000 0.000 0.252 63 R C -0.897 175.395 176.300 -0.014 0.000 0.958 63 R CA 0.542 56.631 56.100 -0.018 0.000 0.651 63 R CB -2.386 27.904 30.300 -0.017 0.000 1.142 63 R HN 0.347 nan 8.270 nan 0.000 0.441 64 N N 1.323 120.015 118.700 -0.014 0.000 2.609 64 N HA 0.198 4.938 4.740 -0.000 0.000 0.268 64 N C 1.591 177.096 175.510 -0.008 0.000 1.106 64 N CA -0.515 52.529 53.050 -0.011 0.000 0.823 64 N CB 0.956 39.436 38.487 -0.012 0.000 1.263 64 N HN 0.025 nan 8.380 nan 0.000 0.533 65 L N 1.150 122.369 121.223 -0.007 0.000 2.352 65 L HA -0.387 3.953 4.340 -0.000 0.000 0.247 65 L C 0.592 177.462 176.870 0.000 0.000 1.123 65 L CA 1.721 56.559 54.840 -0.003 0.000 0.824 65 L CB -0.861 41.196 42.059 -0.004 0.000 0.987 65 L HN 0.529 nan 8.230 nan 0.000 0.426 66 K N -0.617 119.782 120.400 -0.002 0.000 2.412 66 K HA -0.240 4.080 4.320 -0.000 0.000 0.245 66 K C -0.136 176.468 176.600 0.007 0.000 1.044 66 K CA 0.873 57.158 56.287 -0.002 0.000 1.125 66 K CB -0.330 32.166 32.500 -0.007 0.000 0.719 66 K HN 0.542 nan 8.250 nan 0.000 0.454 67 C N 3.304 122.610 119.300 0.010 0.000 2.935 67 C HA 0.060 4.520 4.460 -0.000 0.000 0.305 67 C C -0.937 174.044 174.990 -0.015 0.000 1.832 67 C CA -0.310 58.729 59.018 0.034 0.000 1.073 67 C CB -0.918 26.871 27.740 0.082 0.000 2.024 67 C HN 1.042 nan 8.230 nan 0.000 0.660 68 Q N 0.323 120.105 119.800 -0.030 0.000 2.447 68 Q HA -0.170 4.170 4.340 -0.000 0.000 0.316 68 Q C 0.879 176.849 176.000 -0.051 0.000 1.448 68 Q CA 0.839 56.608 55.803 -0.056 0.000 0.804 68 Q CB -1.933 26.738 28.738 -0.111 0.000 1.107 68 Q HN 0.751 nan 8.270 nan 0.000 0.373 69 T N -2.746 111.790 114.554 -0.030 0.000 10.479 69 T HA -0.435 3.915 4.350 -0.000 0.000 0.411 69 T C 1.420 176.109 174.700 -0.019 0.000 1.504 69 T CA 1.853 63.939 62.100 -0.023 0.000 2.475 69 T CB -1.643 67.210 68.868 -0.025 0.000 2.895 69 T HN 0.980 nan 8.240 nan 0.000 1.096 70 C N 3.565 122.849 119.300 -0.026 0.000 2.363 70 C HA -0.141 4.319 4.460 -0.000 0.000 0.318 70 C C 2.023 177.020 174.990 0.012 0.000 1.450 70 C CA 1.705 60.718 59.018 -0.009 0.000 1.785 70 C CB -2.299 25.436 27.740 -0.009 0.000 1.685 70 C HN 0.899 nan 8.230 nan 0.000 0.583 71 Q N -0.387 119.416 119.800 0.005 0.000 2.129 71 Q HA -0.421 3.919 4.340 -0.000 0.000 0.458 71 Q C 0.877 176.884 176.000 0.012 0.000 0.769 71 Q CA 2.186 57.992 55.803 0.005 0.000 0.829 71 Q CB -1.154 27.584 28.738 -0.001 0.000 3.643 71 Q HN 0.530 nan 8.270 nan 0.000 0.888 72 E N -1.368 118.834 120.200 0.005 0.000 4.609 72 E HA -0.286 4.064 4.350 -0.000 0.000 0.178 72 E C 0.820 177.420 176.600 -0.001 0.000 1.274 72 E CA 2.757 59.158 56.400 0.003 0.000 2.344 72 E CB -2.058 27.648 29.700 0.010 0.000 1.833 72 E HN 1.899 nan 8.360 nan 0.000 0.404 73 G N 1.287 110.090 108.800 0.004 0.000 3.137 73 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 73 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 73 G C 0.710 175.603 174.900 -0.012 0.000 0.988 73 G CA 1.237 46.335 45.100 -0.003 0.000 0.789 73 G HN 0.339 nan 8.290 nan 0.000 0.544 74 M N 0.079 119.669 119.600 -0.017 0.000 2.003 74 M HA -0.358 4.122 4.480 -0.000 0.000 0.279 74 M C 1.459 177.741 176.300 -0.031 0.000 0.401 74 M CA 2.706 57.989 55.300 -0.028 0.000 0.752 74 M CB -0.814 31.767 32.600 -0.031 0.000 1.834 74 M HN 0.902 nan 8.290 nan 0.000 0.404 75 N N 0.695 119.378 118.700 -0.027 0.000 2.415 75 N HA 0.174 4.913 4.740 -0.000 0.000 0.246 75 N C 0.180 175.676 175.510 -0.023 0.000 1.078 75 N CA 1.198 54.232 53.050 -0.028 0.000 0.942 75 N CB 1.368 39.839 38.487 -0.027 0.000 1.140 75 N HN 0.526 nan 8.380 nan 0.000 0.501 76 E N 2.036 122.221 120.200 -0.025 0.000 3.358 76 E HA -0.167 4.183 4.350 -0.000 0.000 0.130 76 E C -0.986 175.603 176.600 -0.018 0.000 0.619 76 E CA 0.122 56.511 56.400 -0.019 0.000 3.027 76 E CB -1.394 28.299 29.700 -0.012 0.000 1.339 76 E HN 0.450 nan 8.360 nan 0.000 0.773 77 C N 5.429 124.719 119.300 -0.016 0.000 2.383 77 C HA 0.636 5.096 4.460 -0.000 0.000 0.350 77 C C -1.364 173.566 174.990 -0.100 0.000 1.173 77 C CA -1.256 57.750 59.018 -0.019 0.000 1.645 77 C CB -0.549 27.210 27.740 0.032 0.000 2.221 77 C HN 0.398 nan 8.230 nan 0.000 0.528 78 P HA 0.254 nan 4.420 nan 0.000 0.285 78 P C 0.416 177.518 177.300 -0.330 0.000 1.282 78 P CA 0.238 63.234 63.100 -0.173 0.000 0.778 78 P CB 0.397 32.023 31.700 -0.124 0.000 1.222 79 G N -1.490 107.143 108.800 -0.278 0.000 2.562 79 G HA2 0.272 4.232 3.960 -0.000 0.000 0.275 79 G HA3 0.272 4.232 3.960 -0.000 0.000 0.275 79 G C -0.604 174.015 174.900 -0.469 0.000 1.196 79 G CA -0.246 44.654 45.100 -0.334 0.000 0.908 79 G HN 0.565 nan 8.290 nan 0.000 0.524 80 H N 0.615 119.674 119.070 -0.017 0.000 2.675 80 H HA 0.208 4.764 4.556 -0.000 0.000 0.258 80 H C -0.346 175.021 175.328 0.063 0.000 1.271 80 H CA -0.881 55.202 56.048 0.058 0.000 1.462 80 H CB 0.253 30.035 29.762 0.034 0.000 1.467 80 H HN 0.269 nan 8.280 nan 0.000 0.501 81 F N 1.300 121.295 119.950 0.075 0.000 2.594 81 F HA 0.054 4.581 4.527 -0.000 0.000 0.384 81 F C 1.615 177.438 175.800 0.038 0.000 1.060 81 F CA 1.305 59.322 58.000 0.029 0.000 1.278 81 F CB 0.570 39.559 39.000 -0.019 0.000 0.977 81 F HN 0.484 nan 8.300 nan 0.000 0.576 82 G N 1.747 110.651 108.800 0.174 0.000 2.932 82 G HA2 0.647 4.607 3.960 -0.000 0.000 0.283 82 G HA3 0.647 4.607 3.960 -0.000 0.000 0.283 82 G C -1.377 173.664 174.900 0.235 0.000 1.336 82 G CA -0.649 44.557 45.100 0.177 0.000 1.056 82 G HN 0.857 nan 8.290 nan 0.000 0.522 83 H N -2.686 116.399 119.070 0.025 0.000 2.960 83 H HA 0.802 5.358 4.556 -0.000 0.000 0.303 83 H C -1.462 173.862 175.328 -0.007 0.000 1.412 83 H CA -1.193 54.854 56.048 -0.001 0.000 1.227 83 H CB 2.415 32.169 29.762 -0.012 0.000 1.912 83 H HN 0.551 nan 8.280 nan 0.000 0.583 84 I N 1.814 122.197 120.570 -0.310 0.000 2.630 84 I HA 0.062 4.232 4.170 -0.000 0.000 0.279 84 I C -1.442 174.544 176.117 -0.219 0.000 1.235 84 I CA -0.585 60.511 61.300 -0.339 0.000 1.096 84 I CB 1.367 39.262 38.000 -0.175 0.000 1.318 84 I HN 0.694 nan 8.210 nan 0.000 0.457 85 D N 8.606 128.860 120.400 -0.243 0.000 2.368 85 D HA 0.161 4.801 4.640 -0.000 0.000 0.268 85 D C 0.485 176.753 176.300 -0.054 0.000 1.298 85 D CA 0.366 54.319 54.000 -0.079 0.000 0.938 85 D CB 0.865 41.641 40.800 -0.040 0.000 1.101 85 D HN 0.409 nan 8.370 nan 0.000 0.509 86 L N 1.146 122.352 121.223 -0.028 0.000 2.473 86 L HA 0.052 4.392 4.340 -0.000 0.000 0.265 86 L C 1.795 178.658 176.870 -0.011 0.000 1.243 86 L CA -0.399 54.428 54.840 -0.022 0.000 0.822 86 L CB 0.209 42.262 42.059 -0.010 0.000 1.101 86 L HN 0.360 nan 8.230 nan 0.000 0.507 87 A N 0.703 123.516 122.820 -0.012 0.000 1.911 87 A HA 0.125 4.444 4.320 -0.000 0.000 0.212 87 A C 0.771 178.352 177.584 -0.005 0.000 1.189 87 A CA 0.934 52.966 52.037 -0.008 0.000 0.639 87 A CB 0.203 19.194 19.000 -0.015 0.000 0.839 87 A HN 0.705 nan 8.150 nan 0.000 0.449 88 K N -0.513 119.882 120.400 -0.009 0.000 2.532 88 K HA 0.362 4.682 4.320 -0.000 0.000 0.265 88 K C -3.150 173.443 176.600 -0.011 0.000 0.948 88 K CA -2.145 54.137 56.287 -0.009 0.000 0.842 88 K CB 2.355 34.843 32.500 -0.019 0.000 1.392 88 K HN -0.023 nan 8.250 nan 0.000 0.436 89 P HA 0.030 nan 4.420 nan 0.000 0.265 89 P C -0.586 176.687 177.300 -0.044 0.000 1.193 89 P CA -0.092 63.009 63.100 0.002 0.000 0.765 89 P CB 0.641 32.354 31.700 0.022 0.000 0.823 90 V N 3.829 123.733 119.914 -0.016 0.000 3.001 90 V HA 0.354 4.473 4.120 -0.000 0.000 0.314 90 V C 0.725 176.873 176.094 0.090 0.000 1.099 90 V CA -0.649 61.620 62.300 -0.052 0.000 0.989 90 V CB 1.372 33.192 31.823 -0.006 0.000 1.040 90 V HN 0.338 nan 8.190 nan 0.000 0.434 91 F N 0.714 120.688 119.950 0.040 0.000 2.110 91 F HA 0.335 4.862 4.527 -0.000 0.000 0.267 91 F C 0.808 176.656 175.800 0.081 0.000 1.141 91 F CA -0.462 57.570 58.000 0.054 0.000 1.197 91 F CB -0.024 39.007 39.000 0.052 0.000 1.674 91 F HN 0.543 nan 8.300 nan 0.000 0.512 92 H N 0.048 119.208 119.070 0.150 0.000 2.854 92 H HA 0.346 4.902 4.556 -0.000 0.000 0.275 92 H C 0.601 175.815 175.328 -0.191 0.000 1.198 92 H CA -0.504 55.473 56.048 -0.118 0.000 1.489 92 H CB 0.782 30.338 29.762 -0.342 0.000 1.519 92 H HN 0.344 nan 8.280 nan 0.000 0.503 93 V N 2.629 122.552 119.914 0.015 0.000 2.365 93 V HA -0.408 3.711 4.120 -0.000 0.000 0.267 93 V C 2.054 178.033 176.094 -0.191 0.000 1.150 93 V CA 2.333 64.597 62.300 -0.060 0.000 1.119 93 V CB -1.193 30.618 31.823 -0.020 0.000 0.776 93 V HN 0.823 nan 8.190 nan 0.000 0.455 94 G N -1.974 106.488 108.800 -0.564 0.000 2.510 94 G HA2 0.090 4.050 3.960 -0.000 0.000 0.212 94 G HA3 0.090 4.050 3.960 -0.000 0.000 0.212 94 G C 1.323 176.081 174.900 -0.236 0.000 1.151 94 G CA 0.404 45.231 45.100 -0.455 0.000 0.817 94 G HN 0.539 nan 8.290 nan 0.000 0.534 95 F N 0.689 120.330 119.950 -0.515 0.000 2.502 95 F HA 0.094 4.621 4.527 -0.000 0.000 0.298 95 F C 2.445 178.098 175.800 -0.244 0.000 1.111 95 F CA -0.329 57.484 58.000 -0.312 0.000 1.445 95 F CB -0.118 38.744 39.000 -0.231 0.000 1.081 95 F HN 0.049 nan 8.300 nan 0.000 0.558 96 I N 0.749 121.277 120.570 -0.072 0.000 2.147 96 I HA -0.456 3.714 4.170 -0.000 0.000 0.245 96 I C 2.750 178.803 176.117 -0.107 0.000 1.059 96 I CA 1.401 62.589 61.300 -0.187 0.000 1.320 96 I CB -0.649 37.307 38.000 -0.073 0.000 1.021 96 I HN 0.145 nan 8.210 nan 0.000 0.415 97 A N 0.257 123.053 122.820 -0.039 0.000 1.884 97 A HA -0.301 4.018 4.320 -0.000 0.000 0.219 97 A C 2.377 179.949 177.584 -0.021 0.000 1.197 97 A CA 2.207 54.230 52.037 -0.023 0.000 0.637 97 A CB -0.548 18.441 19.000 -0.018 0.000 0.827 97 A HN 0.380 nan 8.150 nan 0.000 0.450 98 K N -0.866 119.517 120.400 -0.027 0.000 2.044 98 K HA 0.070 4.389 4.320 -0.000 0.000 0.204 98 K C 1.955 178.602 176.600 0.079 0.000 1.049 98 K CA 1.102 57.393 56.287 0.006 0.000 0.945 98 K CB -0.348 32.074 32.500 -0.129 0.000 0.724 98 K HN 0.549 nan 8.250 nan 0.000 0.440 99 I N 1.828 122.381 120.570 -0.028 0.000 2.143 99 I HA -0.405 3.765 4.170 -0.000 0.000 0.245 99 I C 2.671 178.860 176.117 0.119 0.000 1.068 99 I CA 1.522 62.785 61.300 -0.061 0.000 1.326 99 I CB -0.491 37.242 38.000 -0.445 0.000 1.028 99 I HN 0.245 nan 8.210 nan 0.000 0.412 100 K N 1.902 122.319 120.400 0.029 0.000 1.984 100 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 100 K C 2.044 178.778 176.600 0.223 0.000 1.046 100 K CA 1.578 57.933 56.287 0.114 0.000 0.934 100 K CB -0.161 32.382 32.500 0.072 0.000 0.717 100 K HN 0.222 nan 8.250 nan 0.000 0.438 101 K N 0.609 121.141 120.400 0.220 0.000 2.362 101 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 101 K C 1.885 178.755 176.600 0.449 0.000 1.045 101 K CA 0.914 57.386 56.287 0.310 0.000 0.936 101 K CB 0.096 32.552 32.500 -0.074 0.000 0.747 101 K HN 0.060 nan 8.250 nan 0.000 0.467 102 V N -0.230 119.936 119.914 0.419 0.000 2.426 102 V HA -0.201 3.919 4.120 -0.000 0.000 0.242 102 V C 2.251 178.452 176.094 0.178 0.000 1.036 102 V CA 1.075 63.609 62.300 0.391 0.000 1.044 102 V CB -0.175 31.895 31.823 0.411 0.000 0.688 102 V HN 0.381 nan 8.190 nan 0.000 0.462 103 C N 0.473 119.888 119.300 0.192 0.000 2.413 103 C HA -0.168 4.292 4.460 -0.000 0.000 0.277 103 C C 2.570 177.600 174.990 0.066 0.000 1.265 103 C CA 1.164 60.226 59.018 0.074 0.000 1.752 103 C CB -1.048 26.798 27.740 0.176 0.000 1.998 103 C HN 0.609 nan 8.230 nan 0.000 0.489 104 E N -1.189 119.093 120.200 0.137 0.000 2.409 104 E HA -0.142 4.208 4.350 -0.000 0.000 0.198 104 E C 1.794 178.410 176.600 0.028 0.000 1.024 104 E CA 0.750 57.195 56.400 0.075 0.000 0.861 104 E CB -0.060 29.723 29.700 0.138 0.000 0.788 104 E HN 0.696 nan 8.360 nan 0.000 0.521 105 C N 0.115 119.468 119.300 0.088 0.000 2.791 105 C HA 0.182 4.642 4.460 -0.000 0.000 0.288 105 C C 0.916 175.907 174.990 0.003 0.000 1.271 105 C CA -0.382 58.669 59.018 0.054 0.000 1.726 105 C CB 0.300 28.128 27.740 0.146 0.000 2.145 105 C HN 0.014 nan 8.230 nan 0.000 0.572 106 V N -0.630 119.264 119.914 -0.032 0.000 3.046 106 V HA 0.450 4.570 4.120 -0.000 0.000 0.316 106 V C -0.527 175.538 176.094 -0.047 0.000 1.104 106 V CA -0.759 61.501 62.300 -0.067 0.000 1.006 106 V CB 1.683 33.413 31.823 -0.155 0.000 1.058 106 V HN 0.312 nan 8.190 nan 0.000 0.440 107 C N 5.089 124.375 119.300 -0.022 0.000 2.355 107 C HA 0.660 5.120 4.460 -0.000 0.000 0.332 107 C C 0.486 175.494 174.990 0.029 0.000 1.255 107 C CA -0.839 58.196 59.018 0.029 0.000 1.792 107 C CB 0.366 28.146 27.740 0.066 0.000 2.300 107 C HN 0.810 nan 8.230 nan 0.000 0.515 108 M N 4.993 124.616 119.600 0.039 0.000 1.876 108 M HA 0.247 4.727 4.480 -0.000 0.000 0.216 108 M C 1.453 177.730 176.300 -0.039 0.000 1.334 108 M CA 0.867 56.122 55.300 -0.075 0.000 0.951 108 M CB -0.719 31.761 32.600 -0.200 0.000 1.271 108 M HN 0.930 nan 8.290 nan 0.000 0.414 109 H N -1.287 117.827 119.070 0.074 0.000 4.836 109 H HA -0.222 4.334 4.556 -0.000 0.000 0.067 109 H C 1.614 176.949 175.328 0.011 0.000 0.594 109 H CA 2.373 58.446 56.048 0.041 0.000 0.978 109 H CB -1.530 28.249 29.762 0.028 0.000 0.436 109 H HN 0.878 nan 8.280 nan 0.000 0.790 110 C N 1.087 120.454 119.300 0.112 0.000 2.628 110 C HA 0.658 5.118 4.460 -0.000 0.000 0.393 110 C C 1.535 176.519 174.990 -0.010 0.000 1.328 110 C CA 1.402 60.431 59.018 0.018 0.000 2.079 110 C CB 0.339 28.087 27.740 0.014 0.000 2.663 110 C HN 1.486 nan 8.230 nan 0.000 0.557 111 G N 1.934 110.736 108.800 0.003 0.000 2.587 111 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.274 111 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.274 111 G C -0.646 174.220 174.900 -0.055 0.000 1.046 111 G CA 0.603 45.684 45.100 -0.030 0.000 1.308 111 G HN 1.063 nan 8.290 nan 0.000 0.529 112 K N 0.752 121.121 120.400 -0.052 0.000 2.579 112 K HA 0.585 4.905 4.320 -0.000 0.000 0.284 112 K C 0.779 177.356 176.600 -0.038 0.000 0.990 112 K CA -1.254 55.001 56.287 -0.053 0.000 0.880 112 K CB 1.262 33.739 32.500 -0.038 0.000 1.488 112 K HN 0.266 nan 8.250 nan 0.000 0.425 113 L N 2.152 123.357 121.223 -0.031 0.000 2.477 113 L HA -0.056 4.284 4.340 -0.000 0.000 0.289 113 L C 0.792 177.659 176.870 -0.006 0.000 1.279 113 L CA 0.453 55.285 54.840 -0.014 0.000 0.825 113 L CB 0.074 42.130 42.059 -0.005 0.000 1.085 113 L HN 0.557 nan 8.230 nan 0.000 0.548 114 L N 2.304 123.525 121.223 -0.004 0.000 3.122 114 L HA 0.397 4.737 4.340 -0.000 0.000 0.274 114 L C -0.656 176.215 176.870 0.001 0.000 1.222 114 L CA 0.009 54.847 54.840 -0.003 0.000 1.028 114 L CB 0.062 42.111 42.059 -0.015 0.000 1.386 114 L HN 0.373 nan 8.230 nan 0.000 0.578 115 L N 0.174 121.401 121.223 0.008 0.000 2.753 115 L HA 0.382 4.722 4.340 -0.000 0.000 0.259 115 L C -1.413 175.464 176.870 0.011 0.000 0.958 115 L CA -0.379 54.470 54.840 0.014 0.000 0.955 115 L CB 2.233 44.292 42.059 -0.000 0.000 1.317 115 L HN -0.052 nan 8.230 nan 0.000 0.436 116 D N 1.227 121.642 120.400 0.025 0.000 2.440 116 D HA 0.216 4.856 4.640 -0.000 0.000 0.258 116 D C 0.781 177.014 176.300 -0.112 0.000 1.092 116 D CA -0.533 53.437 54.000 -0.049 0.000 1.016 116 D CB 1.512 42.278 40.800 -0.057 0.000 1.141 116 D HN 0.430 nan 8.370 nan 0.000 0.552 117 E N -0.214 119.855 120.200 -0.218 0.000 2.279 117 E HA -0.249 4.101 4.350 -0.000 0.000 0.205 117 E C 1.616 178.129 176.600 -0.146 0.000 1.028 117 E CA 1.414 57.700 56.400 -0.189 0.000 0.830 117 E CB -0.212 29.349 29.700 -0.231 0.000 0.736 117 E HN 0.399 nan 8.360 nan 0.000 0.478 118 H N 0.200 119.268 119.070 -0.003 0.000 2.265 118 H HA -0.084 4.472 4.556 -0.000 0.000 0.295 118 H C 1.097 176.422 175.328 -0.005 0.000 1.084 118 H CA 1.179 57.225 56.048 -0.004 0.000 1.261 118 H CB -0.708 29.050 29.762 -0.007 0.000 1.360 118 H HN 0.133 nan 8.280 nan 0.000 0.487 119 N N 1.733 120.500 118.700 0.113 0.000 2.468 119 N HA -0.090 4.650 4.740 -0.000 0.000 0.265 119 N C 1.212 176.739 175.510 0.029 0.000 1.199 119 N CA 0.244 53.327 53.050 0.055 0.000 0.928 119 N CB 1.258 39.766 38.487 0.035 0.000 1.059 119 N HN 0.443 nan 8.380 nan 0.000 0.467 120 E N 3.992 124.207 120.200 0.024 0.000 2.028 120 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 120 E C 1.576 178.181 176.600 0.009 0.000 0.988 120 E CA 0.766 57.175 56.400 0.015 0.000 0.799 120 E CB 0.014 29.723 29.700 0.015 0.000 0.755 120 E HN 0.675 nan 8.360 nan 0.000 0.447 121 L N 0.536 121.763 121.223 0.006 0.000 2.351 121 L HA -0.217 4.123 4.340 -0.000 0.000 0.220 121 L C 2.528 179.400 176.870 0.004 0.000 1.127 121 L CA 0.634 55.476 54.840 0.003 0.000 0.786 121 L CB -0.284 41.774 42.059 -0.003 0.000 0.914 121 L HN 0.384 nan 8.230 nan 0.000 0.443 122 M N -0.218 119.384 119.600 0.004 0.000 2.160 122 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 122 M C 2.270 178.573 176.300 0.005 0.000 1.073 122 M CA 1.612 56.914 55.300 0.003 0.000 1.142 122 M CB -0.236 32.364 32.600 0.001 0.000 1.358 122 M HN -0.038 nan 8.290 nan 0.000 0.422 123 R N -0.164 120.337 120.500 0.002 0.000 2.112 123 R HA -0.236 4.104 4.340 -0.000 0.000 0.242 123 R C 2.254 178.560 176.300 0.010 0.000 1.137 123 R CA 2.295 58.396 56.100 0.001 0.000 0.944 123 R CB -0.884 29.416 30.300 -0.001 0.000 0.857 123 R HN 0.590 nan 8.270 nan 0.000 0.435 124 Q N -0.022 119.785 119.800 0.012 0.000 2.112 124 Q HA -0.174 4.165 4.340 -0.000 0.000 0.206 124 Q C 2.151 178.164 176.000 0.022 0.000 0.987 124 Q CA 1.715 57.528 55.803 0.016 0.000 0.858 124 Q CB -0.223 28.524 28.738 0.015 0.000 0.905 124 Q HN 0.437 nan 8.270 nan 0.000 0.420 125 A N 0.332 123.165 122.820 0.023 0.000 2.168 125 A HA -0.025 4.295 4.320 -0.000 0.000 0.215 125 A C 1.708 179.316 177.584 0.040 0.000 1.152 125 A CA 0.618 52.675 52.037 0.033 0.000 0.716 125 A CB -0.161 18.857 19.000 0.030 0.000 0.794 125 A HN 0.265 nan 8.150 nan 0.000 0.465 126 L N -1.539 119.703 121.223 0.031 0.000 2.628 126 L HA 0.191 4.531 4.340 -0.000 0.000 0.229 126 L C 2.144 179.033 176.870 0.032 0.000 1.137 126 L CA 0.482 55.342 54.840 0.034 0.000 0.909 126 L CB 0.142 42.213 42.059 0.021 0.000 1.137 126 L HN 0.398 nan 8.230 nan 0.000 0.470 127 A N -0.366 122.472 122.820 0.031 0.000 2.108 127 A HA 0.269 4.588 4.320 -0.000 0.000 0.206 127 A C 1.148 178.753 177.584 0.035 0.000 1.212 127 A CA -0.217 51.837 52.037 0.029 0.000 0.843 127 A CB 0.111 19.125 19.000 0.024 0.000 0.902 127 A HN 0.217 nan 8.150 nan 0.000 0.477 128 I N 2.492 123.086 120.570 0.040 0.000 2.933 128 I HA -0.081 4.089 4.170 -0.000 0.000 0.301 128 I C -0.226 175.921 176.117 0.050 0.000 1.163 128 I CA 0.359 61.686 61.300 0.044 0.000 1.629 128 I CB -0.207 37.822 38.000 0.049 0.000 1.530 128 I HN 0.196 nan 8.210 nan 0.000 0.755 129 K N 5.880 126.306 120.400 0.044 0.000 2.079 129 K HA 0.057 4.377 4.320 -0.000 0.000 0.255 129 K C -0.296 176.333 176.600 0.047 0.000 1.114 129 K CA 0.298 56.612 56.287 0.045 0.000 1.056 129 K CB -0.091 32.432 32.500 0.038 0.000 1.176 129 K HN 0.428 nan 8.250 nan 0.000 0.353 130 D N 0.984 121.417 120.400 0.055 0.000 2.329 130 D HA -0.039 4.601 4.640 -0.000 0.000 0.217 130 D C 0.675 177.014 176.300 0.065 0.000 1.317 130 D CA -0.060 53.972 54.000 0.053 0.000 0.928 130 D CB 0.548 41.379 40.800 0.052 0.000 1.544 130 D HN 0.290 nan 8.370 nan 0.000 0.499 131 S N 2.327 118.060 115.700 0.056 0.000 2.400 131 S HA -0.283 4.187 4.470 -0.000 0.000 0.234 131 S C 1.666 176.309 174.600 0.073 0.000 1.049 131 S CA 0.995 59.230 58.200 0.058 0.000 1.039 131 S CB 0.012 63.210 63.200 -0.003 0.000 0.856 131 S HN 0.492 nan 8.310 nan 0.000 0.465 132 K N 1.065 121.494 120.400 0.048 0.000 2.155 132 K HA 0.050 4.370 4.320 -0.000 0.000 0.203 132 K C 2.204 178.867 176.600 0.104 0.000 1.052 132 K CA 1.088 57.410 56.287 0.058 0.000 0.948 132 K CB -0.074 32.444 32.500 0.029 0.000 0.728 132 K HN 0.411 nan 8.250 nan 0.000 0.448 133 K N 0.017 120.473 120.400 0.093 0.000 2.242 133 K HA 0.068 4.388 4.320 -0.000 0.000 0.200 133 K C 2.065 178.729 176.600 0.106 0.000 1.050 133 K CA 0.173 56.514 56.287 0.090 0.000 0.981 133 K CB 0.222 32.762 32.500 0.067 0.000 0.795 133 K HN 0.021 nan 8.250 nan 0.000 0.477 134 R N 0.602 121.176 120.500 0.124 0.000 2.082 134 R HA -0.115 4.225 4.340 -0.000 0.000 0.228 134 R C 2.124 178.520 176.300 0.159 0.000 1.140 134 R CA 1.763 57.941 56.100 0.130 0.000 0.920 134 R CB -0.647 29.742 30.300 0.147 0.000 0.828 134 R HN 0.107 nan 8.270 nan 0.000 0.430 135 F N 1.428 121.427 119.950 0.082 0.000 2.271 135 F HA -0.231 4.296 4.527 -0.000 0.000 0.302 135 F C 1.871 177.736 175.800 0.108 0.000 1.063 135 F CA 1.389 59.451 58.000 0.103 0.000 1.362 135 F CB -0.051 38.993 39.000 0.073 0.000 1.060 135 F HN 0.063 nan 8.300 nan 0.000 0.521 136 A N -1.095 121.773 122.820 0.080 0.000 2.238 136 A HA 0.484 4.804 4.320 -0.000 0.000 0.210 136 A C 1.957 179.587 177.584 0.076 0.000 1.179 136 A CA 0.766 52.823 52.037 0.034 0.000 0.827 136 A CB -0.764 18.283 19.000 0.078 0.000 0.856 136 A HN 0.416 nan 8.150 nan 0.000 0.488 137 A N -0.085 122.771 122.820 0.059 0.000 1.969 137 A HA 0.290 4.610 4.320 -0.000 0.000 0.205 137 A C 1.788 179.394 177.584 0.036 0.000 1.364 137 A CA 0.636 52.707 52.037 0.057 0.000 0.756 137 A CB -0.437 18.593 19.000 0.050 0.000 0.988 137 A HN 0.292 nan 8.150 nan 0.000 0.490 138 I N -1.472 119.112 120.570 0.023 0.000 2.185 138 I HA -0.330 3.840 4.170 -0.000 0.000 0.246 138 I C 2.422 178.530 176.117 -0.015 0.000 1.088 138 I CA 2.041 63.345 61.300 0.006 0.000 1.347 138 I CB -0.315 37.703 38.000 0.030 0.000 1.041 138 I HN 0.722 nan 8.210 nan 0.000 0.415 139 W N 1.691 122.812 121.300 -0.298 0.000 2.388 139 W HA -0.166 4.494 4.660 -0.000 0.000 0.294 139 W C 2.423 178.835 176.519 -0.178 0.000 1.212 139 W CA 1.756 58.911 57.345 -0.316 0.000 1.271 139 W CB -0.300 28.834 29.460 -0.543 0.000 1.126 139 W HN -0.066 nan 8.180 nan 0.000 0.535 140 T N 1.246 115.794 114.554 -0.011 0.000 3.035 140 T HA -0.078 4.272 4.350 -0.000 0.000 0.268 140 T C 1.779 176.355 174.700 -0.206 0.000 1.109 140 T CA 1.161 63.154 62.100 -0.179 0.000 1.119 140 T CB -0.136 68.744 68.868 0.020 0.000 0.900 140 T HN 0.147 nan 8.240 nan 0.000 0.503 141 L N 0.821 121.957 121.223 -0.145 0.000 2.071 141 L HA 0.030 4.370 4.340 -0.000 0.000 0.201 141 L C 2.410 179.191 176.870 -0.147 0.000 1.076 141 L CA 0.958 55.729 54.840 -0.115 0.000 0.755 141 L CB -0.345 41.678 42.059 -0.060 0.000 0.915 141 L HN 0.397 nan 8.230 nan 0.000 0.445 142 C N -1.561 117.645 119.300 -0.157 0.000 2.625 142 C HA 0.131 4.591 4.460 -0.000 0.000 0.285 142 C C 2.119 176.970 174.990 -0.230 0.000 1.279 142 C CA -0.664 58.265 59.018 -0.150 0.000 1.698 142 C CB -1.661 26.026 27.740 -0.089 0.000 1.821 142 C HN 0.473 nan 8.230 nan 0.000 0.600 143 K N 0.945 121.107 120.400 -0.397 0.000 2.432 143 K HA 0.020 4.340 4.320 -0.000 0.000 0.196 143 K C 1.405 177.800 176.600 -0.342 0.000 1.038 143 K CA 1.388 57.356 56.287 -0.531 0.000 0.986 143 K CB -0.328 31.508 32.500 -1.108 0.000 0.782 143 K HN 0.339 nan 8.250 nan 0.000 0.485 144 T N 0.734 115.132 114.554 -0.260 0.000 2.988 144 T HA 0.060 4.410 4.350 -0.000 0.000 0.240 144 T C 0.105 174.733 174.700 -0.121 0.000 1.014 144 T CA 0.244 62.238 62.100 -0.176 0.000 1.155 144 T CB 0.123 68.902 68.868 -0.149 0.000 0.872 144 T HN 0.138 nan 8.240 nan 0.000 0.440 145 K N 2.014 122.351 120.400 -0.104 0.000 2.419 145 K HA 0.173 4.493 4.320 -0.000 0.000 0.282 145 K C -0.154 176.410 176.600 -0.059 0.000 1.056 145 K CA 0.344 56.591 56.287 -0.067 0.000 1.035 145 K CB 0.303 32.772 32.500 -0.052 0.000 0.921 145 K HN 0.314 nan 8.250 nan 0.000 0.472 146 M N 3.045 122.621 119.600 -0.041 0.000 2.869 146 M HA 0.162 4.642 4.480 -0.000 0.000 0.338 146 M C -1.012 175.295 176.300 0.012 0.000 1.227 146 M CA -0.314 54.971 55.300 -0.025 0.000 0.946 146 M CB 0.750 33.328 32.600 -0.037 0.000 1.299 146 M HN 0.073 nan 8.290 nan 0.000 0.518 147 V N 0.026 119.947 119.914 0.011 0.000 2.577 147 V HA 0.114 4.234 4.120 -0.000 0.000 0.294 147 V C -0.434 175.672 176.094 0.020 0.000 1.052 147 V CA -1.219 61.096 62.300 0.025 0.000 0.891 147 V CB 1.957 33.788 31.823 0.014 0.000 1.017 147 V HN 0.490 nan 8.190 nan 0.000 0.436 148 C N 6.011 125.331 119.300 0.034 0.000 2.894 148 C HA 0.159 4.619 4.460 -0.000 0.000 0.430 148 C C 1.066 176.064 174.990 0.014 0.000 1.048 148 C CA -0.390 58.645 59.018 0.028 0.000 1.158 148 C CB -1.855 25.913 27.740 0.046 0.000 1.634 148 C HN 0.875 nan 8.230 nan 0.000 0.565 149 E N 3.181 123.385 120.200 0.007 0.000 2.558 149 E HA -0.034 4.316 4.350 -0.000 0.000 0.255 149 E C 0.992 177.588 176.600 -0.006 0.000 0.968 149 E CA 0.321 56.719 56.400 -0.003 0.000 0.939 149 E CB 0.570 30.267 29.700 -0.005 0.000 0.921 149 E HN 0.640 nan 8.360 nan 0.000 0.477 150 T N 2.155 116.699 114.554 -0.015 0.000 3.044 150 T HA 0.024 4.374 4.350 -0.000 0.000 0.250 150 T C -0.318 174.359 174.700 -0.038 0.000 1.081 150 T CA 0.229 62.316 62.100 -0.021 0.000 1.040 150 T CB 0.268 69.123 68.868 -0.021 0.000 0.962 150 T HN 0.391 nan 8.240 nan 0.000 0.506 151 D N 0.819 121.192 120.400 -0.046 0.000 2.970 151 D HA 0.488 5.128 4.640 -0.000 0.000 0.230 151 D C -1.107 175.147 176.300 -0.076 0.000 1.276 151 D CA -0.217 53.741 54.000 -0.070 0.000 0.910 151 D CB 2.831 43.599 40.800 -0.055 0.000 1.590 151 D HN -0.034 nan 8.370 nan 0.000 0.551 152 V N 1.355 121.197 119.914 -0.121 0.000 3.078 152 V HA 0.497 4.617 4.120 -0.000 0.000 0.311 152 V C -2.461 173.565 176.094 -0.113 0.000 1.138 152 V CA -1.851 60.387 62.300 -0.104 0.000 1.007 152 V CB 2.664 34.429 31.823 -0.097 0.000 1.045 152 V HN 0.357 nan 8.190 nan 0.000 0.432 153 P HA 0.160 nan 4.420 nan 0.000 0.277 153 P C 0.379 177.658 177.300 -0.035 0.000 1.354 153 P CA 0.139 63.211 63.100 -0.047 0.000 0.891 153 P CB 0.698 32.383 31.700 -0.025 0.000 1.058 154 S N 3.706 119.377 115.700 -0.048 0.000 2.870 154 S HA -0.110 4.360 4.470 -0.000 0.000 0.251 154 S C 1.026 175.644 174.600 0.030 0.000 1.430 154 S CA 0.132 58.333 58.200 0.001 0.000 1.033 154 S CB -0.513 62.684 63.200 -0.004 0.000 0.858 154 S HN 0.457 nan 8.310 nan 0.000 0.505 155 E N 1.292 121.517 120.200 0.041 0.000 2.403 155 E HA 0.160 4.510 4.350 -0.000 0.000 0.187 155 E C -0.227 176.383 176.600 0.018 0.000 1.073 155 E CA 0.031 56.450 56.400 0.032 0.000 0.888 155 E CB -0.146 29.575 29.700 0.035 0.000 1.035 155 E HN 0.427 nan 8.360 nan 0.000 0.471 156 D N 0.135 120.541 120.400 0.010 0.000 3.368 156 D HA 0.103 4.742 4.640 -0.000 0.000 0.189 156 D C -0.081 176.219 176.300 0.000 0.000 1.279 156 D CA -0.479 53.524 54.000 0.004 0.000 1.206 156 D CB 0.065 40.866 40.800 0.002 0.000 1.136 156 D HN -0.116 nan 8.370 nan 0.000 0.490 157 D N 1.803 122.201 120.400 -0.004 0.000 2.350 157 D HA 0.116 4.756 4.640 -0.000 0.000 0.249 157 D C -1.410 174.884 176.300 -0.010 0.000 1.119 157 D CA -0.981 53.016 54.000 -0.006 0.000 0.886 157 D CB 1.648 42.444 40.800 -0.007 0.000 1.195 157 D HN 0.061 nan 8.370 nan 0.000 0.437 158 P HA -0.034 nan 4.420 nan 0.000 0.245 158 P C 0.922 178.213 177.300 -0.014 0.000 1.212 158 P CA 0.512 63.605 63.100 -0.011 0.000 0.774 158 P CB 0.467 32.162 31.700 -0.008 0.000 0.999 159 T N -0.444 114.102 114.554 -0.013 0.000 2.852 159 T HA -0.024 4.326 4.350 -0.000 0.000 0.256 159 T C 0.951 175.641 174.700 -0.017 0.000 1.038 159 T CA 0.762 62.855 62.100 -0.013 0.000 1.141 159 T CB -0.343 68.519 68.868 -0.010 0.000 0.869 159 T HN 0.288 nan 8.240 nan 0.000 0.439 160 Q N 1.491 121.280 119.800 -0.018 0.000 2.307 160 Q HA 0.416 4.756 4.340 -0.000 0.000 0.259 160 Q C -0.966 175.016 176.000 -0.031 0.000 0.998 160 Q CA -0.056 55.734 55.803 -0.022 0.000 0.923 160 Q CB 0.628 29.355 28.738 -0.019 0.000 1.196 160 Q HN 0.419 nan 8.270 nan 0.000 0.416 161 L N 3.269 124.471 121.223 -0.036 0.000 2.282 161 L HA 0.455 4.795 4.340 -0.000 0.000 0.288 161 L C -0.290 176.541 176.870 -0.064 0.000 1.033 161 L CA -0.933 53.877 54.840 -0.050 0.000 0.807 161 L CB 1.081 43.114 42.059 -0.044 0.000 1.209 161 L HN 0.333 nan 8.230 nan 0.000 0.423 162 V N 1.547 121.403 119.914 -0.098 0.000 2.716 162 V HA 0.484 4.603 4.120 -0.000 0.000 0.304 162 V C 0.397 176.405 176.094 -0.144 0.000 1.053 162 V CA -0.526 61.700 62.300 -0.122 0.000 0.984 162 V CB 1.752 33.471 31.823 -0.173 0.000 1.021 162 V HN 0.927 nan 8.190 nan 0.000 0.467 163 S N 3.590 119.224 115.700 -0.110 0.000 2.664 163 S HA 0.879 5.349 4.470 -0.000 0.000 0.304 163 S C -0.243 174.314 174.600 -0.070 0.000 1.099 163 S CA -0.729 57.420 58.200 -0.085 0.000 1.003 163 S CB 2.640 65.811 63.200 -0.048 0.000 1.092 163 S HN 0.946 nan 8.310 nan 0.000 0.525 164 R N 0.681 121.161 120.500 -0.034 0.000 2.898 164 R HA 0.576 4.916 4.340 -0.000 0.000 0.092 164 R C 0.654 176.960 176.300 0.011 0.000 0.570 164 R CA -0.463 55.649 56.100 0.020 0.000 0.381 164 R CB -0.459 29.889 30.300 0.079 0.000 0.320 164 R HN 0.742 nan 8.270 nan 0.000 0.321 165 G N -0.193 108.617 108.800 0.017 0.000 2.572 165 G HA2 0.493 4.453 3.960 -0.000 0.000 0.261 165 G HA3 0.493 4.453 3.960 -0.000 0.000 0.261 165 G C -0.511 174.386 174.900 -0.005 0.000 1.197 165 G CA -0.130 44.971 45.100 0.002 0.000 0.870 165 G HN 0.610 nan 8.290 nan 0.000 0.548 166 G N -2.370 106.423 108.800 -0.010 0.000 2.563 166 G HA2 0.637 4.597 3.960 -0.000 0.000 0.302 166 G HA3 0.637 4.597 3.960 -0.000 0.000 0.302 166 G C -0.336 174.557 174.900 -0.013 0.000 1.301 166 G CA 0.089 45.181 45.100 -0.014 0.000 0.965 166 G HN 2.165 nan 8.290 nan 0.000 0.480 167 C N -0.134 119.156 119.300 -0.017 0.000 3.544 167 C HA 0.095 4.555 4.460 -0.000 0.000 0.364 167 C C 1.184 176.165 174.990 -0.014 0.000 0.907 167 C CA -0.777 58.225 59.018 -0.025 0.000 3.784 167 C CB -1.355 26.372 27.740 -0.021 0.000 1.087 167 C HN 1.908 nan 8.230 nan 0.000 0.603 168 G N 2.077 110.866 108.800 -0.019 0.000 2.708 168 G HA2 0.032 3.992 3.960 -0.000 0.000 0.210 168 G HA3 0.032 3.992 3.960 -0.000 0.000 0.210 168 G C 0.566 175.469 174.900 0.006 0.000 1.141 168 G CA 0.455 45.553 45.100 -0.004 0.000 0.788 168 G HN 1.044 nan 8.290 nan 0.000 0.531 169 N N 2.079 120.760 118.700 -0.032 0.000 1.792 169 N HA -0.098 4.641 4.740 -0.000 0.000 0.321 169 N C 0.466 176.032 175.510 0.092 0.000 1.314 169 N CA 0.940 53.960 53.050 -0.049 0.000 0.814 169 N CB 0.125 38.479 38.487 -0.222 0.000 1.073 169 N HN 0.109 nan 8.380 nan 0.000 0.503 170 T N 3.002 117.625 114.554 0.115 0.000 2.923 170 T HA -0.092 4.258 4.350 -0.000 0.000 0.304 170 T C 0.817 175.712 174.700 0.324 0.000 1.044 170 T CA 0.233 62.450 62.100 0.196 0.000 1.141 170 T CB 0.533 69.535 68.868 0.224 0.000 1.023 170 T HN 0.296 nan 8.240 nan 0.000 0.533 171 Q N 3.997 123.907 119.800 0.184 0.000 2.274 171 Q HA 0.262 4.601 4.340 -0.000 0.000 0.256 171 Q C -2.162 173.801 176.000 -0.062 0.000 0.927 171 Q CA -1.945 53.926 55.803 0.113 0.000 0.939 171 Q CB 1.125 29.887 28.738 0.039 0.000 1.201 171 Q HN 0.442 nan 8.270 nan 0.000 0.426 172 P HA 0.067 nan 4.420 nan 0.000 0.287 172 P C -0.549 176.505 177.300 -0.410 0.000 1.281 172 P CA -0.290 62.369 63.100 -0.736 0.000 0.781 172 P CB 1.049 31.606 31.700 -1.906 0.000 0.903 173 T N 4.246 118.633 114.554 -0.279 0.000 2.855 173 T HA 0.232 4.582 4.350 -0.000 0.000 0.322 173 T C 0.724 175.313 174.700 -0.185 0.000 1.088 173 T CA 0.446 62.440 62.100 -0.176 0.000 1.104 173 T CB -0.014 68.781 68.868 -0.123 0.000 0.996 173 T HN 0.284 nan 8.240 nan 0.000 0.549 174 I N 1.380 121.891 120.570 -0.099 0.000 2.730 174 I HA 0.612 4.782 4.170 -0.000 0.000 0.298 174 I C -0.150 175.966 176.117 -0.002 0.000 1.089 174 I CA -1.268 59.995 61.300 -0.061 0.000 1.041 174 I CB 2.251 40.238 38.000 -0.022 0.000 1.235 174 I HN 0.624 nan 8.210 nan 0.000 0.423 175 R N 2.670 123.176 120.500 0.010 0.000 2.808 175 R HA 0.629 4.969 4.340 -0.000 0.000 0.272 175 R C -1.325 175.008 176.300 0.056 0.000 0.995 175 R CA -1.147 54.974 56.100 0.036 0.000 0.917 175 R CB 2.277 32.591 30.300 0.022 0.000 1.217 175 R HN 0.507 nan 8.270 nan 0.000 0.471 176 K N 1.396 121.835 120.400 0.065 0.000 2.213 176 K HA 0.154 4.474 4.320 -0.000 0.000 0.270 176 K C -1.298 175.345 176.600 0.073 0.000 1.002 176 K CA -0.496 55.838 56.287 0.078 0.000 0.868 176 K CB 1.254 33.800 32.500 0.077 0.000 1.093 176 K HN 0.688 nan 8.250 nan 0.000 0.454 177 D N 3.790 124.240 120.400 0.082 0.000 2.473 177 D HA 0.278 4.918 4.640 -0.000 0.000 0.253 177 D C 0.474 176.826 176.300 0.087 0.000 1.233 177 D CA 0.596 54.639 54.000 0.073 0.000 0.908 177 D CB 1.306 42.142 40.800 0.061 0.000 1.170 177 D HN 0.887 nan 8.370 nan 0.000 0.558 178 G N 3.580 112.432 108.800 0.086 0.000 2.596 178 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.304 178 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.304 178 G C 0.506 175.481 174.900 0.125 0.000 1.189 178 G CA 0.435 45.596 45.100 0.101 0.000 0.986 178 G HN 0.556 nan 8.290 nan 0.000 0.548 179 L N 1.066 122.373 121.223 0.141 0.000 3.062 179 L HA 0.399 4.739 4.340 -0.000 0.000 0.255 179 L C 0.439 177.431 176.870 0.203 0.000 1.274 179 L CA 0.025 54.975 54.840 0.183 0.000 1.047 179 L CB -0.056 42.101 42.059 0.164 0.000 1.402 179 L HN 0.271 nan 8.230 nan 0.000 0.550 180 K N 1.089 121.599 120.400 0.184 0.000 2.469 180 K HA 0.617 4.937 4.320 -0.000 0.000 0.254 180 K C -1.129 175.596 176.600 0.209 0.000 0.939 180 K CA -0.764 55.631 56.287 0.180 0.000 0.812 180 K CB 3.258 35.806 32.500 0.081 0.000 1.301 180 K HN -0.013 nan 8.250 nan 0.000 0.433 181 L N 2.356 123.733 121.223 0.256 0.000 2.296 181 L HA 0.550 4.890 4.340 -0.000 0.000 0.286 181 L C -0.674 176.272 176.870 0.127 0.000 1.023 181 L CA -1.033 53.924 54.840 0.195 0.000 0.812 181 L CB 1.637 43.841 42.059 0.242 0.000 1.223 181 L HN 0.267 nan 8.230 nan 0.000 0.421 182 V N 1.767 121.724 119.914 0.073 0.000 2.876 182 V HA 0.868 4.988 4.120 -0.000 0.000 0.312 182 V C 0.037 176.103 176.094 -0.047 0.000 1.085 182 V CA -0.449 61.871 62.300 0.033 0.000 0.945 182 V CB 2.279 34.128 31.823 0.044 0.000 1.017 182 V HN 0.859 nan 8.190 nan 0.000 0.428 183 G N 1.309 110.018 108.800 -0.151 0.000 2.659 183 G HA2 0.649 4.609 3.960 -0.000 0.000 0.296 183 G HA3 0.649 4.609 3.960 -0.000 0.000 0.296 183 G C -0.900 173.768 174.900 -0.387 0.000 1.369 183 G CA -0.308 44.601 45.100 -0.318 0.000 0.937 183 G HN 0.911 nan 8.290 nan 0.000 0.485 184 S N 0.380 115.900 115.700 -0.300 0.000 2.451 184 S HA 0.635 5.104 4.470 -0.000 0.000 0.301 184 S C -0.791 173.716 174.600 -0.154 0.000 1.116 184 S CA -0.798 57.331 58.200 -0.119 0.000 1.093 184 S CB 1.251 64.436 63.200 -0.026 0.000 1.017 184 S HN 0.528 nan 8.310 nan 0.000 0.482 185 W N 2.412 123.728 121.300 0.026 0.000 2.391 185 W HA 0.384 5.043 4.660 -0.000 0.000 0.311 185 W C 0.021 176.549 176.519 0.015 0.000 1.087 185 W CA -0.869 56.491 57.345 0.025 0.000 1.209 185 W CB 1.619 31.098 29.460 0.033 0.000 1.273 185 W HN 0.595 nan 8.180 nan 0.000 0.482 186 K N 3.188 123.709 120.400 0.202 0.000 2.201 186 K HA 0.351 4.671 4.320 -0.000 0.000 0.278 186 K C -0.230 176.436 176.600 0.109 0.000 1.027 186 K CA -0.447 55.912 56.287 0.119 0.000 0.909 186 K CB 1.506 34.046 32.500 0.066 0.000 1.062 186 K HN 0.219 nan 8.250 nan 0.000 0.465 187 K N 2.034 122.481 120.400 0.077 0.000 2.345 187 K HA 0.240 4.559 4.320 -0.000 0.000 0.255 187 K C -0.990 175.630 176.600 0.033 0.000 0.934 187 K CA -0.797 55.520 56.287 0.050 0.000 0.801 187 K CB 1.718 34.242 32.500 0.040 0.000 1.137 187 K HN 0.489 nan 8.250 nan 0.000 0.424 188 D N 1.650 122.064 120.400 0.023 0.000 2.326 188 D HA 0.475 5.115 4.640 -0.000 0.000 0.251 188 D C -0.567 175.738 176.300 0.009 0.000 1.023 188 D CA -0.265 53.744 54.000 0.015 0.000 0.966 188 D CB 1.542 42.349 40.800 0.012 0.000 1.156 188 D HN 0.424 nan 8.370 nan 0.000 0.494 196 E N 0.165 120.381 120.200 0.027 0.000 7.832 196 E HA -0.120 4.230 4.350 -0.000 0.000 0.464 196 E C -2.646 173.982 176.600 0.047 0.000 0.594 196 E CA -0.461 55.958 56.400 0.032 0.000 1.043 196 E CB -0.045 29.671 29.700 0.027 0.000 0.978 196 E HN 0.168 nan 8.360 nan 0.000 0.263 197 P HA 0.141 nan 4.420 nan 0.000 0.286 197 P C -0.868 176.494 177.300 0.103 0.000 1.293 197 P CA 0.132 63.280 63.100 0.080 0.000 0.770 197 P CB 0.492 32.230 31.700 0.064 0.000 1.206 198 E N 0.005 120.301 120.200 0.161 0.000 2.542 198 E HA 0.299 4.649 4.350 -0.000 0.000 0.298 198 E C -1.210 175.565 176.600 0.291 0.000 0.980 198 E CA -0.301 56.215 56.400 0.193 0.000 0.792 198 E CB 0.505 30.322 29.700 0.195 0.000 1.463 198 E HN 0.317 nan 8.360 nan 0.000 0.389 199 L N 4.420 125.759 121.223 0.192 0.000 2.272 199 L HA 0.638 4.977 4.340 -0.000 0.000 0.289 199 L C 0.074 177.059 176.870 0.191 0.000 1.032 199 L CA -0.723 54.228 54.840 0.186 0.000 0.810 199 L CB 0.938 43.055 42.059 0.097 0.000 1.205 199 L HN 0.398 nan 8.230 nan 0.000 0.422 200 R N 1.732 122.396 120.500 0.273 0.000 2.740 200 R HA 0.692 5.032 4.340 -0.000 0.000 0.273 200 R C -1.579 174.837 176.300 0.193 0.000 0.998 200 R CA -0.904 55.324 56.100 0.213 0.000 0.900 200 R CB 1.583 32.017 30.300 0.222 0.000 1.223 200 R HN 0.207 nan 8.270 nan 0.000 0.466 201 V N 3.343 123.327 119.914 0.117 0.000 2.572 201 V HA 0.134 4.254 4.120 -0.000 0.000 0.291 201 V C 0.407 176.579 176.094 0.131 0.000 1.039 201 V CA -0.338 62.022 62.300 0.100 0.000 1.055 201 V CB 0.948 32.802 31.823 0.051 0.000 0.969 201 V HN 0.565 nan 8.190 nan 0.000 0.482 202 L N 5.601 126.910 121.223 0.144 0.000 2.356 202 L HA 0.212 4.552 4.340 -0.000 0.000 0.282 202 L C 0.927 177.875 176.870 0.130 0.000 1.132 202 L CA -0.074 54.869 54.840 0.172 0.000 0.923 202 L CB 0.596 42.776 42.059 0.201 0.000 1.278 202 L HN 0.882 nan 8.230 nan 0.000 0.436 203 S N 0.643 116.398 115.700 0.092 0.000 2.563 203 S HA -0.037 4.433 4.470 -0.000 0.000 0.294 203 S C 1.303 175.928 174.600 0.043 0.000 1.279 203 S CA -0.323 57.901 58.200 0.040 0.000 1.069 203 S CB 0.987 64.212 63.200 0.043 0.000 0.828 203 S HN 0.624 nan 8.310 nan 0.000 0.497 204 T N 3.398 117.918 114.554 -0.055 0.000 2.699 204 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 204 T C 1.535 176.261 174.700 0.043 0.000 1.036 204 T CA 2.109 64.179 62.100 -0.049 0.000 1.147 204 T CB -0.575 68.160 68.868 -0.221 0.000 0.862 204 T HN 0.864 nan 8.240 nan 0.000 0.446 205 E N 0.679 120.892 120.200 0.022 0.000 2.219 205 E HA -0.204 4.146 4.350 -0.000 0.000 0.198 205 E C 2.206 178.845 176.600 0.065 0.000 0.998 205 E CA 1.189 57.612 56.400 0.039 0.000 0.818 205 E CB -0.073 29.644 29.700 0.029 0.000 0.741 205 E HN 0.637 nan 8.360 nan 0.000 0.477 206 E N 0.560 120.811 120.200 0.085 0.000 2.045 206 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 206 E C 2.115 178.811 176.600 0.160 0.000 0.968 206 E CA 0.338 56.802 56.400 0.106 0.000 0.813 206 E CB 0.144 29.907 29.700 0.104 0.000 0.780 206 E HN 0.075 nan 8.360 nan 0.000 0.455 207 I N 2.281 122.979 120.570 0.214 0.000 2.087 207 I HA -0.337 3.833 4.170 -0.000 0.000 0.240 207 I C 2.816 179.149 176.117 0.360 0.000 1.054 207 I CA 1.243 62.750 61.300 0.344 0.000 1.311 207 I CB -1.354 36.863 38.000 0.362 0.000 1.024 207 I HN 0.377 nan 8.210 nan 0.000 0.402 208 L N 0.888 122.215 121.223 0.173 0.000 2.034 208 L HA -0.339 4.001 4.340 -0.000 0.000 0.217 208 L C 2.597 179.557 176.870 0.151 0.000 1.077 208 L CA 2.156 57.053 54.840 0.094 0.000 0.769 208 L CB -0.496 41.602 42.059 0.065 0.000 0.890 208 L HN 0.426 nan 8.230 nan 0.000 0.435 209 N N 0.515 119.287 118.700 0.119 0.000 2.058 209 N HA -0.235 4.505 4.740 -0.000 0.000 0.191 209 N C 1.901 177.449 175.510 0.063 0.000 1.037 209 N CA 2.292 55.365 53.050 0.038 0.000 0.848 209 N CB -0.264 38.243 38.487 0.034 0.000 1.021 209 N HN 0.469 nan 8.380 nan 0.000 0.422 210 I N 0.241 120.911 120.570 0.166 0.000 2.185 210 I HA -0.294 3.876 4.170 -0.000 0.000 0.246 210 I C 1.894 178.056 176.117 0.074 0.000 1.088 210 I CA 1.208 62.580 61.300 0.121 0.000 1.347 210 I CB -0.526 37.511 38.000 0.061 0.000 1.041 210 I HN 0.037 nan 8.210 nan 0.000 0.415 211 F N 1.153 121.111 119.950 0.013 0.000 2.186 211 F HA -0.140 4.387 4.527 -0.000 0.000 0.299 211 F C 2.509 178.311 175.800 0.004 0.000 1.090 211 F CA 1.310 59.317 58.000 0.011 0.000 1.307 211 F CB -0.638 38.357 39.000 -0.008 0.000 1.019 211 F HN -0.114 nan 8.300 nan 0.000 0.489 212 K N -0.671 119.802 120.400 0.121 0.000 2.074 212 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 212 K C 1.866 178.420 176.600 -0.077 0.000 1.048 212 K CA 1.549 57.813 56.287 -0.039 0.000 0.926 212 K CB -0.318 32.068 32.500 -0.188 0.000 0.713 212 K HN 0.319 nan 8.250 nan 0.000 0.444 213 H N 0.142 119.210 119.070 -0.004 0.000 2.502 213 H HA 0.108 4.664 4.556 -0.000 0.000 0.283 213 H C 0.595 175.834 175.328 -0.149 0.000 1.015 213 H CA 0.244 56.253 56.048 -0.066 0.000 1.298 213 H CB -0.163 29.574 29.762 -0.041 0.000 1.411 213 H HN 0.096 nan 8.280 nan 0.000 0.556 214 I N 1.916 122.453 120.570 -0.056 0.000 2.906 214 I HA -0.163 4.007 4.170 -0.000 0.000 0.302 214 I C 1.179 177.021 176.117 -0.457 0.000 1.220 214 I CA 0.301 61.480 61.300 -0.202 0.000 1.441 214 I CB 0.232 38.138 38.000 -0.157 0.000 1.336 214 I HN 0.094 nan 8.210 nan 0.000 0.565 215 S N 4.769 120.256 115.700 -0.356 0.000 2.554 215 S HA 0.006 4.476 4.470 -0.000 0.000 0.290 215 S C 1.293 175.511 174.600 -0.637 0.000 1.309 215 S CA -0.672 57.297 58.200 -0.385 0.000 1.047 215 S CB 0.899 63.974 63.200 -0.209 0.000 0.828 215 S HN 0.388 nan 8.310 nan 0.000 0.509 216 V N 5.475 125.099 119.914 -0.483 0.000 2.343 216 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 216 V C 2.353 178.359 176.094 -0.147 0.000 1.051 216 V CA 1.943 64.012 62.300 -0.385 0.000 1.036 216 V CB -0.695 31.033 31.823 -0.157 0.000 0.654 216 V HN 0.846 nan 8.190 nan 0.000 0.451 217 K N -0.505 119.832 120.400 -0.105 0.000 2.418 217 K HA -0.039 4.281 4.320 -0.000 0.000 0.195 217 K C 1.535 178.134 176.600 -0.001 0.000 1.035 217 K CA 0.607 56.882 56.287 -0.020 0.000 1.003 217 K CB -0.047 32.439 32.500 -0.024 0.000 0.793 217 K HN 0.439 nan 8.250 nan 0.000 0.494 218 D N 0.550 120.911 120.400 -0.065 0.000 2.183 218 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 218 D C 1.571 177.930 176.300 0.098 0.000 0.962 218 D CA 0.619 54.606 54.000 -0.021 0.000 0.849 218 D CB -0.056 40.685 40.800 -0.098 0.000 0.978 218 D HN 0.076 nan 8.370 nan 0.000 0.488 219 F N 1.476 121.405 119.950 -0.036 0.000 2.005 219 F HA -0.321 4.206 4.527 -0.000 0.000 0.297 219 F C 2.667 178.526 175.800 0.098 0.000 1.175 219 F CA 1.332 59.305 58.000 -0.046 0.000 1.192 219 F CB -0.662 38.327 39.000 -0.019 0.000 0.953 219 F HN -0.040 nan 8.300 nan 0.000 0.504 220 T N 0.210 114.984 114.554 0.367 0.000 2.624 220 T HA -0.314 4.036 4.350 -0.000 0.000 0.266 220 T C 1.908 176.734 174.700 0.210 0.000 1.050 220 T CA 2.196 64.444 62.100 0.248 0.000 1.163 220 T CB -0.869 68.100 68.868 0.168 0.000 0.861 220 T HN 0.381 nan 8.240 nan 0.000 0.443 221 S N 1.528 117.330 115.700 0.169 0.000 2.392 221 S HA -0.089 4.381 4.470 -0.000 0.000 0.232 221 S C 0.969 175.700 174.600 0.219 0.000 1.041 221 S CA 0.845 59.134 58.200 0.149 0.000 1.026 221 S CB -0.709 62.554 63.200 0.104 0.000 0.845 221 S HN 0.435 nan 8.310 nan 0.000 0.465 222 L N 2.613 124.015 121.223 0.297 0.000 2.282 222 L HA 0.377 4.717 4.340 -0.000 0.000 0.287 222 L C 1.133 178.303 176.870 0.501 0.000 1.075 222 L CA -0.564 54.560 54.840 0.473 0.000 0.839 222 L CB 0.301 42.656 42.059 0.494 0.000 1.219 222 L HN 0.368 nan 8.230 nan 0.000 0.434 223 G N 3.457 112.449 108.800 0.321 0.000 1.912 223 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.243 223 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.243 223 G C -0.116 174.699 174.900 -0.142 0.000 0.677 223 G CA 0.569 45.711 45.100 0.070 0.000 0.900 223 G HN 0.342 nan 8.290 nan 0.000 0.397 224 F N -0.862 119.075 119.950 -0.022 0.000 2.790 224 F HA 0.646 5.173 4.527 -0.000 0.000 0.386 224 F C 0.356 176.139 175.800 -0.028 0.000 1.206 224 F CA -1.547 56.413 58.000 -0.067 0.000 1.109 224 F CB 1.771 40.691 39.000 -0.134 0.000 1.469 224 F HN 0.096 nan 8.300 nan 0.000 0.513 225 N N -0.213 118.585 118.700 0.165 0.000 2.542 225 N HA 0.116 4.855 4.740 -0.000 0.000 0.288 225 N C 0.065 175.610 175.510 0.059 0.000 1.115 225 N CA -0.183 52.917 53.050 0.085 0.000 0.924 225 N CB 1.264 39.789 38.487 0.064 0.000 1.526 225 N HN 0.642 nan 8.380 nan 0.000 0.515 226 E N 1.935 122.180 120.200 0.076 0.000 2.187 226 E HA -0.188 4.161 4.350 -0.000 0.000 0.199 226 E C 0.492 177.144 176.600 0.087 0.000 1.004 226 E CA 1.678 58.148 56.400 0.115 0.000 0.813 226 E CB 0.296 30.069 29.700 0.121 0.000 0.736 226 E HN 0.509 nan 8.360 nan 0.000 0.468 227 V N -0.936 118.954 119.914 -0.041 0.000 2.788 227 V HA -0.015 4.105 4.120 -0.000 0.000 0.241 227 V C 1.775 177.974 176.094 0.175 0.000 1.083 227 V CA 0.901 63.157 62.300 -0.073 0.000 1.103 227 V CB -0.406 31.080 31.823 -0.561 0.000 0.800 227 V HN 0.231 nan 8.190 nan 0.000 0.476 228 F N 1.212 121.258 119.950 0.159 0.000 2.383 228 F HA 0.161 4.688 4.527 -0.000 0.000 0.287 228 F C 1.234 177.109 175.800 0.125 0.000 1.069 228 F CA 0.567 58.599 58.000 0.053 0.000 1.402 228 F CB 0.248 39.247 39.000 -0.003 0.000 1.116 228 F HN 0.224 nan 8.300 nan 0.000 0.549 229 S N 0.701 116.656 115.700 0.425 0.000 2.524 229 S HA 0.455 4.925 4.470 -0.000 0.000 0.227 229 S C -0.767 174.082 174.600 0.416 0.000 1.304 229 S CA -0.824 57.634 58.200 0.430 0.000 1.185 229 S CB 0.660 63.950 63.200 0.149 0.000 1.104 229 S HN 0.097 nan 8.310 nan 0.000 0.475 230 R N 2.795 123.535 120.500 0.399 0.000 2.221 230 R HA 0.338 4.678 4.340 -0.000 0.000 0.327 230 R C -1.994 174.109 176.300 -0.328 0.000 1.033 230 R CA -2.228 53.526 56.100 -0.577 0.000 0.887 230 R CB 0.666 30.168 30.300 -1.331 0.000 1.057 230 R HN 0.300 nan 8.270 nan 0.000 0.455 231 P HA -0.335 nan 4.420 nan 0.000 0.222 231 P C 0.750 177.992 177.300 -0.097 0.000 1.157 231 P CA 1.625 64.562 63.100 -0.271 0.000 0.905 231 P CB 0.097 31.571 31.700 -0.376 0.000 0.792 232 E N -2.013 118.102 120.200 -0.141 0.000 2.448 232 E HA -0.211 4.139 4.350 -0.000 0.000 0.203 232 E C 1.121 177.685 176.600 -0.060 0.000 1.046 232 E CA 0.810 57.133 56.400 -0.127 0.000 0.871 232 E CB -0.865 28.724 29.700 -0.185 0.000 0.790 232 E HN 0.386 nan 8.360 nan 0.000 0.545 233 W N 0.271 121.582 121.300 0.019 0.000 2.996 233 W HA 0.309 4.969 4.660 -0.000 0.000 0.270 233 W C 1.674 178.273 176.519 0.134 0.000 1.280 233 W CA -0.180 57.209 57.345 0.074 0.000 1.549 233 W CB -0.161 29.354 29.460 0.092 0.000 1.079 233 W HN 0.113 nan 8.180 nan 0.000 0.629 234 M N -0.004 119.790 119.600 0.325 0.000 2.632 234 M HA -0.027 4.453 4.480 -0.000 0.000 0.256 234 M C 0.184 176.678 176.300 0.324 0.000 1.080 234 M CA 1.285 56.856 55.300 0.453 0.000 1.084 234 M CB -0.265 32.446 32.600 0.185 0.000 1.439 234 M HN -0.320 nan 8.290 nan 0.000 0.509 235 I N 1.403 122.090 120.570 0.195 0.000 2.382 235 I HA 0.238 4.408 4.170 -0.000 0.000 0.286 235 I C -0.438 175.773 176.117 0.157 0.000 1.002 235 I CA -0.677 60.735 61.300 0.185 0.000 1.135 235 I CB 1.611 39.689 38.000 0.130 0.000 1.288 235 I HN 0.018 nan 8.210 nan 0.000 0.448 236 L N 6.353 127.646 121.223 0.116 0.000 2.530 236 L HA 0.189 4.529 4.340 -0.000 0.000 0.273 236 L C 0.841 177.750 176.870 0.065 0.000 1.141 236 L CA 0.049 54.927 54.840 0.064 0.000 0.905 236 L CB -0.024 42.037 42.059 0.003 0.000 1.202 236 L HN 0.682 nan 8.230 nan 0.000 0.473 237 T N 0.789 115.393 114.554 0.083 0.000 3.045 237 T HA 0.009 4.358 4.350 -0.000 0.000 0.239 237 T C 0.479 175.214 174.700 0.058 0.000 1.008 237 T CA 0.231 62.376 62.100 0.076 0.000 1.143 237 T CB 0.317 69.249 68.868 0.107 0.000 0.894 237 T HN 0.678 nan 8.240 nan 0.000 0.451 238 C N 1.805 121.145 119.300 0.066 0.000 2.493 238 C HA 0.841 5.301 4.460 -0.000 0.000 0.326 238 C C -1.316 173.682 174.990 0.014 0.000 1.200 238 C CA -1.104 57.948 59.018 0.058 0.000 1.739 238 C CB 0.480 28.283 27.740 0.105 0.000 2.300 238 C HN 0.435 nan 8.230 nan 0.000 0.500 239 L N 7.280 128.499 121.223 -0.007 0.000 2.343 239 L HA 0.598 4.938 4.340 -0.000 0.000 0.278 239 L C -2.160 174.697 176.870 -0.023 0.000 0.996 239 L CA -1.884 52.931 54.840 -0.040 0.000 0.831 239 L CB 1.968 43.984 42.059 -0.072 0.000 1.232 239 L HN 0.559 nan 8.230 nan 0.000 0.413 240 P HA 0.049 nan 4.420 nan 0.000 0.267 240 P C -0.880 176.506 177.300 0.142 0.000 1.205 240 P CA 0.003 63.119 63.100 0.027 0.000 0.765 240 P CB 1.076 32.672 31.700 -0.173 0.000 0.828 241 V N 6.529 126.536 119.914 0.155 0.000 2.294 241 V HA 0.214 4.334 4.120 -0.000 0.000 0.272 241 V C -1.762 174.242 176.094 -0.149 0.000 1.027 241 V CA -2.075 60.243 62.300 0.029 0.000 0.823 241 V CB 1.004 32.821 31.823 -0.010 0.000 1.030 241 V HN 0.549 nan 8.190 nan 0.000 0.457 242 P HA 0.146 nan 4.420 nan 0.000 0.265 242 P C -2.441 174.575 177.300 -0.474 0.000 1.193 242 P CA -0.945 61.730 63.100 -0.708 0.000 0.765 242 P CB 0.270 31.794 31.700 -0.294 0.000 0.823 243 P HA 0.046 nan 4.420 nan 0.000 0.272 243 P C -1.715 175.465 177.300 -0.200 0.000 1.254 243 P CA -1.165 61.754 63.100 -0.301 0.000 0.795 243 P CB -0.629 30.889 31.700 -0.303 0.000 1.022 244 P HA -0.155 nan 4.420 nan 0.000 0.213 244 P C -1.156 176.079 177.300 -0.107 0.000 1.176 244 P CA 2.827 65.866 63.100 -0.101 0.000 0.919 244 P CB -2.226 29.428 31.700 -0.076 0.000 0.791 245 P HA -0.148 nan 4.420 nan 0.000 0.219 245 P C 1.651 178.894 177.300 -0.095 0.000 1.147 245 P CA 1.272 64.313 63.100 -0.098 0.000 0.821 245 P CB -0.538 31.102 31.700 -0.100 0.000 0.771 246 V N -0.669 119.177 119.914 -0.115 0.000 2.649 246 V HA -0.090 4.030 4.120 -0.000 0.000 0.248 246 V C 1.489 177.533 176.094 -0.084 0.000 1.054 246 V CA 1.479 63.721 62.300 -0.097 0.000 1.073 246 V CB -0.913 30.840 31.823 -0.116 0.000 0.699 246 V HN 0.249 nan 8.190 nan 0.000 0.463 247 R N 0.979 121.427 120.500 -0.088 0.000 2.782 247 R HA 0.346 4.686 4.340 -0.000 0.000 0.293 247 R C -2.963 173.284 176.300 -0.088 0.000 1.333 247 R CA -1.426 54.625 56.100 -0.081 0.000 1.479 247 R CB 0.072 30.335 30.300 -0.061 0.000 1.306 247 R HN 0.247 nan 8.270 nan 0.000 0.654 248 P HA -0.067 nan 4.420 nan 0.000 0.270 248 P C 0.211 177.450 177.300 -0.102 0.000 1.227 248 P CA 0.227 63.272 63.100 -0.090 0.000 0.788 248 P CB 1.206 32.854 31.700 -0.087 0.000 0.926 249 S N 1.727 117.366 115.700 -0.101 0.000 2.206 249 S HA 0.483 4.953 4.470 -0.000 0.000 0.233 249 S C 0.436 174.943 174.600 -0.156 0.000 1.255 249 S CA -0.366 57.764 58.200 -0.116 0.000 1.010 249 S CB -0.033 63.110 63.200 -0.094 0.000 0.970 249 S HN 0.543 nan 8.310 nan 0.000 0.437 250 I N 0.926 121.371 120.570 -0.209 0.000 2.751 250 I HA 0.073 4.243 4.170 -0.000 0.000 0.268 250 I C -1.371 174.447 176.117 -0.498 0.000 1.536 250 I CA -0.222 60.873 61.300 -0.342 0.000 1.249 250 I CB 1.562 39.338 38.000 -0.373 0.000 1.625 250 I HN 0.768 nan 8.210 nan 0.000 0.405 251 S N 4.981 120.443 115.700 -0.397 0.000 2.429 251 S HA 0.591 5.061 4.470 -0.000 0.000 0.302 251 S C -0.459 173.928 174.600 -0.355 0.000 1.115 251 S CA -0.548 57.458 58.200 -0.322 0.000 1.095 251 S CB 0.556 63.674 63.200 -0.137 0.000 0.987 251 S HN 0.382 nan 8.310 nan 0.000 0.474 252 F N 3.686 123.633 119.950 -0.004 0.000 2.660 252 F HA 0.356 4.883 4.527 -0.000 0.000 0.342 252 F C 1.297 177.097 175.800 -0.001 0.000 1.195 252 F CA -0.480 57.519 58.000 -0.003 0.000 1.300 252 F CB -1.033 37.967 39.000 -0.001 0.000 1.616 252 F HN 0.723 nan 8.300 nan 0.000 0.592 253 N N 0.192 118.942 118.700 0.083 0.000 3.888 253 N HA -0.252 4.488 4.740 -0.000 0.000 0.236 253 N C 0.973 176.505 175.510 0.038 0.000 0.326 253 N CA 1.726 54.809 53.050 0.055 0.000 2.720 253 N CB -0.575 37.954 38.487 0.071 0.000 1.517 253 N HN 0.460 nan 8.380 nan 0.000 0.311 254 E N 0.019 120.250 120.200 0.053 0.000 3.139 254 E HA 0.173 4.523 4.350 -0.000 0.000 0.230 254 E C 0.041 176.671 176.600 0.051 0.000 1.162 254 E CA 0.464 56.886 56.400 0.038 0.000 0.976 254 E CB -0.065 29.651 29.700 0.026 0.000 3.084 254 E HN 0.384 nan 8.360 nan 0.000 0.569 255 S N 1.876 117.604 115.700 0.045 0.000 3.571 255 S HA -0.044 4.426 4.470 -0.000 0.000 0.202 255 S C -0.018 174.622 174.600 0.067 0.000 1.004 255 S CA 0.465 58.693 58.200 0.046 0.000 1.098 255 S CB -0.703 62.517 63.200 0.033 0.000 1.389 255 S HN 0.179 nan 8.310 nan 0.000 0.452 256 Q N -0.167 119.690 119.800 0.095 0.000 2.426 256 Q HA 0.386 4.725 4.340 -0.000 0.000 0.278 256 Q C -0.114 175.979 176.000 0.155 0.000 1.007 256 Q CA -1.040 54.852 55.803 0.149 0.000 0.850 256 Q CB 1.921 30.807 28.738 0.247 0.000 1.427 256 Q HN 0.355 nan 8.270 nan 0.000 0.391 257 R N 0.003 120.606 120.500 0.171 0.000 0.642 257 R HA 0.533 4.872 4.340 -0.000 0.000 0.048 257 R C 0.608 176.977 176.300 0.116 0.000 0.504 257 R CA 0.496 56.677 56.100 0.135 0.000 2.167 257 R CB -0.145 30.245 30.300 0.150 0.000 0.523 257 R HN 0.880 nan 8.270 nan 0.000 0.801 258 G N -0.035 108.832 108.800 0.111 0.000 2.174 258 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.140 258 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.140 258 G C -0.444 174.418 174.900 -0.064 0.000 1.031 258 G CA -0.587 44.519 45.100 0.010 0.000 0.728 258 G HN 0.214 nan 8.290 nan 0.000 0.496 259 E N 1.020 121.197 120.200 -0.039 0.000 2.422 259 E HA 0.188 4.538 4.350 -0.000 0.000 0.260 259 E C 0.077 176.491 176.600 -0.310 0.000 1.108 259 E CA -0.083 56.241 56.400 -0.126 0.000 0.943 259 E CB 0.937 30.634 29.700 -0.006 0.000 0.961 259 E HN 0.436 nan 8.360 nan 0.000 0.443 260 D N 0.787 121.013 120.400 -0.289 0.000 2.348 260 D HA -0.024 4.616 4.640 -0.000 0.000 0.249 260 D C 0.643 176.683 176.300 -0.434 0.000 1.110 260 D CA -0.413 53.409 54.000 -0.296 0.000 0.967 260 D CB 1.041 41.739 40.800 -0.169 0.000 1.139 260 D HN 0.223 nan 8.370 nan 0.000 0.466 261 D N 1.346 121.557 120.400 -0.316 0.000 2.127 261 D HA -0.185 4.455 4.640 -0.000 0.000 0.190 261 D C 2.130 178.358 176.300 -0.119 0.000 1.000 261 D CA 1.286 55.141 54.000 -0.242 0.000 0.839 261 D CB 0.112 40.843 40.800 -0.114 0.000 0.955 261 D HN 0.427 nan 8.370 nan 0.000 0.446 262 L N 0.574 121.766 121.223 -0.052 0.000 1.990 262 L HA -0.207 4.133 4.340 -0.000 0.000 0.213 262 L C 2.649 179.571 176.870 0.087 0.000 1.072 262 L CA 1.440 56.320 54.840 0.066 0.000 0.755 262 L CB -0.887 41.214 42.059 0.070 0.000 0.889 262 L HN 0.027 nan 8.230 nan 0.000 0.432 263 T N -0.373 114.190 114.554 0.015 0.000 2.882 263 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 263 T C 1.520 176.372 174.700 0.254 0.000 1.104 263 T CA 1.444 63.586 62.100 0.071 0.000 1.118 263 T CB -0.349 68.528 68.868 0.015 0.000 0.831 263 T HN 0.268 nan 8.240 nan 0.000 0.529 264 F N 0.507 120.456 119.950 -0.002 0.000 2.220 264 F HA 0.064 4.590 4.527 -0.000 0.000 0.290 264 F C 2.329 178.101 175.800 -0.046 0.000 1.080 264 F CA 0.114 58.104 58.000 -0.017 0.000 1.318 264 F CB 0.066 39.059 39.000 -0.011 0.000 1.063 264 F HN -0.042 nan 8.300 nan 0.000 0.498 265 K N 0.952 121.454 120.400 0.169 0.000 2.211 265 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 265 K C 1.785 178.349 176.600 -0.060 0.000 1.047 265 K CA 0.950 57.250 56.287 0.022 0.000 0.935 265 K CB -0.601 31.973 32.500 0.122 0.000 0.728 265 K HN 0.265 nan 8.250 nan 0.000 0.452 266 L N -0.381 120.819 121.223 -0.039 0.000 2.023 266 L HA -0.103 4.236 4.340 -0.000 0.000 0.205 266 L C 2.367 179.208 176.870 -0.048 0.000 1.073 266 L CA 1.291 56.058 54.840 -0.120 0.000 0.745 266 L CB -0.865 41.139 42.059 -0.091 0.000 0.900 266 L HN 0.174 nan 8.230 nan 0.000 0.435 267 A N 0.168 122.994 122.820 0.011 0.000 1.971 267 A HA -0.296 4.024 4.320 -0.000 0.000 0.222 267 A C 1.919 179.494 177.584 -0.015 0.000 1.182 267 A CA 2.375 54.415 52.037 0.006 0.000 0.649 267 A CB -0.615 18.390 19.000 0.009 0.000 0.818 267 A HN 0.427 nan 8.150 nan 0.000 0.458 268 D N -0.234 120.142 120.400 -0.041 0.000 2.084 268 D HA -0.080 4.560 4.640 -0.000 0.000 0.199 268 D C 2.003 178.383 176.300 0.134 0.000 0.981 268 D CA 1.329 55.314 54.000 -0.025 0.000 0.841 268 D CB -0.467 40.081 40.800 -0.420 0.000 0.997 268 D HN 0.495 nan 8.370 nan 0.000 0.454 269 I N 0.906 121.515 120.570 0.065 0.000 2.145 269 I HA -0.287 3.882 4.170 -0.000 0.000 0.244 269 I C 2.434 178.573 176.117 0.035 0.000 1.075 269 I CA 0.670 62.021 61.300 0.084 0.000 1.332 269 I CB -0.270 37.689 38.000 -0.068 0.000 1.033 269 I HN 0.065 nan 8.210 nan 0.000 0.410 270 L N 1.107 122.324 121.223 -0.010 0.000 1.956 270 L HA -0.249 4.091 4.340 -0.000 0.000 0.216 270 L C 2.447 179.317 176.870 -0.000 0.000 1.073 270 L CA 1.966 56.795 54.840 -0.019 0.000 0.762 270 L CB -1.042 41.005 42.059 -0.020 0.000 0.889 270 L HN 0.146 nan 8.230 nan 0.000 0.433 271 K N -0.623 119.788 120.400 0.018 0.000 2.001 271 K HA -0.257 4.063 4.320 -0.000 0.000 0.223 271 K C 1.959 178.571 176.600 0.020 0.000 1.055 271 K CA 2.071 58.369 56.287 0.018 0.000 0.965 271 K CB -0.698 31.823 32.500 0.035 0.000 0.730 271 K HN 0.497 nan 8.250 nan 0.000 0.449 272 A N 1.305 124.160 122.820 0.058 0.000 2.093 272 A HA -0.285 4.035 4.320 -0.000 0.000 0.222 272 A C 1.842 179.426 177.584 -0.000 0.000 1.162 272 A CA 2.248 54.299 52.037 0.024 0.000 0.655 272 A CB -0.758 18.263 19.000 0.036 0.000 0.805 272 A HN 0.444 nan 8.150 nan 0.000 0.461 273 N N -0.251 118.449 118.700 0.001 0.000 2.132 273 N HA -0.008 4.732 4.740 -0.000 0.000 0.187 273 N C 1.555 177.051 175.510 -0.025 0.000 1.038 273 N CA 1.458 54.498 53.050 -0.016 0.000 0.846 273 N CB -0.293 38.179 38.487 -0.026 0.000 1.012 273 N HN 0.421 nan 8.380 nan 0.000 0.429 274 I N 0.637 121.188 120.570 -0.032 0.000 2.145 274 I HA -0.361 3.809 4.170 -0.000 0.000 0.244 274 I C 2.386 178.484 176.117 -0.032 0.000 1.075 274 I CA 1.655 62.930 61.300 -0.041 0.000 1.332 274 I CB -0.705 37.260 38.000 -0.057 0.000 1.033 274 I HN 0.358 nan 8.210 nan 0.000 0.410 275 S N 1.262 116.945 115.700 -0.028 0.000 2.374 275 S HA -0.261 4.209 4.470 -0.000 0.000 0.227 275 S C 2.004 176.588 174.600 -0.028 0.000 1.037 275 S CA 1.451 59.635 58.200 -0.027 0.000 1.024 275 S CB -0.954 62.230 63.200 -0.027 0.000 0.861 275 S HN 0.360 nan 8.310 nan 0.000 0.456 276 L N 2.173 123.380 121.223 -0.028 0.000 1.955 276 L HA -0.086 4.254 4.340 -0.000 0.000 0.213 276 L C 2.814 179.667 176.870 -0.028 0.000 1.072 276 L CA 2.584 57.406 54.840 -0.030 0.000 0.755 276 L CB -1.027 41.015 42.059 -0.028 0.000 0.888 276 L HN 0.558 nan 8.230 nan 0.000 0.432 277 E N -1.244 118.947 120.200 -0.015 0.000 2.108 277 E HA -0.305 4.045 4.350 -0.000 0.000 0.203 277 E C 1.778 178.394 176.600 0.028 0.000 1.022 277 E CA 2.247 58.654 56.400 0.012 0.000 0.823 277 E CB -0.229 29.486 29.700 0.026 0.000 0.744 277 E HN 0.597 nan 8.360 nan 0.000 0.456 278 T N 1.094 115.652 114.554 0.008 0.000 2.977 278 T HA -0.054 4.296 4.350 -0.000 0.000 0.271 278 T C 1.629 176.326 174.700 -0.006 0.000 1.105 278 T CA 0.725 62.830 62.100 0.008 0.000 1.116 278 T CB -0.018 68.842 68.868 -0.013 0.000 0.878 278 T HN 0.206 nan 8.240 nan 0.000 0.509 279 L N 0.167 121.373 121.223 -0.028 0.000 2.567 279 L HA 0.233 4.573 4.340 -0.000 0.000 0.225 279 L C 1.954 178.775 176.870 -0.081 0.000 1.119 279 L CA 0.676 55.486 54.840 -0.049 0.000 0.871 279 L CB -0.045 41.983 42.059 -0.051 0.000 1.036 279 L HN 0.253 nan 8.230 nan 0.000 0.459 280 E N -1.207 118.933 120.200 -0.101 0.000 2.498 280 E HA 0.077 4.427 4.350 -0.000 0.000 0.203 280 E C 0.206 176.586 176.600 -0.366 0.000 1.013 280 E CA 0.059 56.331 56.400 -0.212 0.000 0.927 280 E CB 0.595 30.154 29.700 -0.234 0.000 1.012 280 E HN 0.386 nan 8.360 nan 0.000 0.482 281 H N -0.004 119.040 119.070 -0.043 0.000 2.750 281 H HA 0.364 4.920 4.556 -0.000 0.000 0.239 281 H C -0.316 174.986 175.328 -0.043 0.000 1.210 281 H CA -0.145 55.880 56.048 -0.038 0.000 0.936 281 H CB 0.329 30.072 29.762 -0.032 0.000 2.074 281 H HN 0.030 nan 8.280 nan 0.000 0.622 282 N N -0.977 117.730 118.700 0.012 0.000 3.449 282 N HA 0.095 4.835 4.740 -0.000 0.000 0.312 282 N C 0.240 175.717 175.510 -0.055 0.000 1.582 282 N CA -0.495 52.547 53.050 -0.012 0.000 0.850 282 N CB 0.424 38.906 38.487 -0.009 0.000 1.822 282 N HN 0.202 nan 8.380 nan 0.000 0.577 283 G N 0.326 109.094 108.800 -0.054 0.000 2.576 283 G HA2 0.338 4.298 3.960 -0.000 0.000 0.291 283 G HA3 0.338 4.298 3.960 -0.000 0.000 0.291 283 G C -0.020 174.819 174.900 -0.102 0.000 0.782 283 G CA 0.160 45.214 45.100 -0.076 0.000 1.886 283 G HN 0.552 nan 8.290 nan 0.000 0.493 284 A N 5.712 128.440 122.820 -0.154 0.000 2.798 284 A HA 0.546 4.866 4.320 -0.000 0.000 0.316 284 A C -1.391 176.039 177.584 -0.256 0.000 1.506 284 A CA -1.470 50.452 52.037 -0.192 0.000 1.162 284 A CB 0.478 19.341 19.000 -0.228 0.000 1.138 284 A HN 0.491 nan 8.150 nan 0.000 0.532 285 P HA -0.049 nan 4.420 nan 0.000 0.238 285 P C 0.743 177.975 177.300 -0.113 0.000 1.729 285 P CA 0.192 63.214 63.100 -0.130 0.000 1.055 285 P CB -0.426 31.237 31.700 -0.061 0.000 1.980 286 H N 1.314 120.273 119.070 -0.185 0.000 1.455 286 H HA -0.246 4.310 4.556 -0.000 0.000 0.091 286 H C 0.609 175.750 175.328 -0.311 0.000 1.257 286 H CA 2.182 58.021 56.048 -0.347 0.000 1.900 286 H CB -1.282 28.106 29.762 -0.623 0.000 2.256 286 H HN 0.609 nan 8.280 nan 0.000 0.960 287 H N -0.300 118.852 119.070 0.136 0.000 2.591 287 H HA 0.588 5.144 4.556 -0.000 0.000 0.302 287 H C 0.816 176.162 175.328 0.030 0.000 1.163 287 H CA 0.670 56.754 56.048 0.060 0.000 1.049 287 H CB 0.104 29.892 29.762 0.044 0.000 1.543 287 H HN 0.479 nan 8.280 nan 0.000 0.523 288 A N -0.080 122.787 122.820 0.079 0.000 2.600 288 A HA 0.246 4.566 4.320 -0.000 0.000 0.252 288 A C 1.627 179.218 177.584 0.011 0.000 1.200 288 A CA -0.167 51.890 52.037 0.035 0.000 0.981 288 A CB 0.279 19.285 19.000 0.009 0.000 1.207 288 A HN 0.296 nan 8.150 nan 0.000 0.577 289 I N 0.474 121.054 120.570 0.017 0.000 2.628 289 I HA -0.092 4.078 4.170 -0.000 0.000 0.255 289 I C 2.031 178.154 176.117 0.010 0.000 1.119 289 I CA 1.091 62.390 61.300 -0.002 0.000 1.448 289 I CB 0.031 38.025 38.000 -0.010 0.000 1.133 289 I HN 0.514 nan 8.210 nan 0.000 0.438 290 E N 1.016 121.241 120.200 0.043 0.000 2.533 290 E HA -0.165 4.185 4.350 -0.000 0.000 0.201 290 E C 0.866 177.472 176.600 0.010 0.000 1.097 290 E CA 0.541 56.961 56.400 0.032 0.000 0.887 290 E CB -0.240 29.499 29.700 0.064 0.000 0.855 290 E HN 0.562 nan 8.360 nan 0.000 0.540 291 E N -0.009 120.193 120.200 0.003 0.000 2.481 291 E HA 0.181 4.531 4.350 -0.000 0.000 0.198 291 E C 1.072 177.649 176.600 -0.039 0.000 1.027 291 E CA 0.346 56.737 56.400 -0.015 0.000 0.900 291 E CB 0.783 30.479 29.700 -0.008 0.000 0.993 291 E HN 0.381 nan 8.360 nan 0.000 0.482 292 A N 0.265 123.062 122.820 -0.037 0.000 2.530 292 A HA 0.074 4.394 4.320 -0.000 0.000 0.214 292 A C 1.610 179.165 177.584 -0.050 0.000 1.352 292 A CA -0.274 51.731 52.037 -0.054 0.000 1.035 292 A CB 0.341 19.313 19.000 -0.047 0.000 1.296 292 A HN 0.058 nan 8.150 nan 0.000 0.563 293 E N 1.098 121.277 120.200 -0.035 0.000 2.216 293 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 293 E C 1.869 178.448 176.600 -0.035 0.000 0.988 293 E CA 1.350 57.731 56.400 -0.033 0.000 0.834 293 E CB 0.110 29.795 29.700 -0.025 0.000 0.772 293 E HN 0.665 nan 8.360 nan 0.000 0.479 294 S N 0.653 116.333 115.700 -0.034 0.000 2.428 294 S HA -0.143 4.326 4.470 -0.000 0.000 0.230 294 S C 2.055 176.652 174.600 -0.005 0.000 1.014 294 S CA 0.623 58.810 58.200 -0.020 0.000 0.957 294 S CB -0.318 62.870 63.200 -0.021 0.000 0.784 294 S HN 0.257 nan 8.310 nan 0.000 0.499 295 L N 1.028 122.212 121.223 -0.063 0.000 2.046 295 L HA 0.122 4.462 4.340 -0.000 0.000 0.208 295 L C 2.258 179.093 176.870 -0.058 0.000 1.077 295 L CA 1.525 56.287 54.840 -0.130 0.000 0.747 295 L CB -0.788 41.148 42.059 -0.205 0.000 0.896 295 L HN 0.367 nan 8.230 nan 0.000 0.432 296 L N -0.508 120.697 121.223 -0.030 0.000 2.056 296 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 296 L C 2.602 179.510 176.870 0.063 0.000 1.078 296 L CA 1.951 56.803 54.840 0.019 0.000 0.749 296 L CB -0.646 41.413 42.059 -0.000 0.000 0.901 296 L HN 0.526 nan 8.230 nan 0.000 0.433 297 Q N -0.958 118.868 119.800 0.044 0.000 2.135 297 Q HA -0.270 4.070 4.340 -0.000 0.000 0.204 297 Q C 1.958 178.034 176.000 0.127 0.000 0.981 297 Q CA 2.171 58.002 55.803 0.047 0.000 0.856 297 Q CB -0.601 28.132 28.738 -0.008 0.000 0.902 297 Q HN 0.554 nan 8.270 nan 0.000 0.425 298 F N -0.059 119.889 119.950 -0.003 0.000 2.009 298 F HA -0.155 4.372 4.527 -0.000 0.000 0.293 298 F C 2.101 177.985 175.800 0.140 0.000 1.156 298 F CA 2.311 60.334 58.000 0.038 0.000 1.168 298 F CB -0.786 38.195 39.000 -0.032 0.000 0.981 298 F HN 0.234 nan 8.300 nan 0.000 0.475 299 H N -0.854 118.358 119.070 0.237 0.000 2.321 299 H HA -0.195 4.361 4.556 -0.000 0.000 0.295 299 H C 2.013 177.344 175.328 0.004 0.000 1.102 299 H CA 1.525 57.621 56.048 0.080 0.000 1.266 299 H CB -0.357 29.500 29.762 0.159 0.000 1.363 299 H HN 0.198 nan 8.280 nan 0.000 0.492 300 V N 0.481 120.487 119.914 0.153 0.000 3.444 300 V HA -0.095 4.025 4.120 -0.000 0.000 0.271 300 V C 1.971 178.137 176.094 0.121 0.000 1.188 300 V CA 0.985 63.345 62.300 0.100 0.000 1.168 300 V CB -0.390 31.464 31.823 0.052 0.000 0.810 300 V HN 0.489 nan 8.190 nan 0.000 0.500 301 A N -0.642 122.212 122.820 0.055 0.000 1.920 301 A HA -0.012 4.308 4.320 -0.000 0.000 0.209 301 A C 2.301 179.873 177.584 -0.022 0.000 1.229 301 A CA 1.369 53.423 52.037 0.028 0.000 0.671 301 A CB -0.627 18.366 19.000 -0.010 0.000 0.886 301 A HN 0.335 nan 8.150 nan 0.000 0.461 302 T N -0.936 113.528 114.554 -0.151 0.000 2.635 302 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 302 T C 1.747 176.443 174.700 -0.008 0.000 1.040 302 T CA 2.095 64.090 62.100 -0.175 0.000 1.156 302 T CB -0.512 68.129 68.868 -0.378 0.000 0.863 302 T HN 0.543 nan 8.240 nan 0.000 0.430 303 Y N 1.077 121.332 120.300 -0.076 0.000 2.181 303 Y HA -0.244 4.306 4.550 -0.000 0.000 0.284 303 Y C 2.060 177.954 175.900 -0.010 0.000 1.179 303 Y CA 1.703 59.781 58.100 -0.037 0.000 1.179 303 Y CB -0.340 38.109 38.460 -0.018 0.000 0.973 303 Y HN 0.265 nan 8.280 nan 0.000 0.519 304 M N -1.282 118.298 119.600 -0.033 0.000 2.412 304 M HA 0.049 4.529 4.480 -0.000 0.000 0.263 304 M C -0.143 176.134 176.300 -0.038 0.000 1.122 304 M CA 0.859 56.099 55.300 -0.100 0.000 1.179 304 M CB 0.291 32.937 32.600 0.076 0.000 1.335 304 M HN 0.019 nan 8.290 nan 0.000 0.465 305 D N -0.233 120.161 120.400 -0.010 0.000 2.787 305 D HA 0.211 4.851 4.640 -0.000 0.000 0.246 305 D C -1.029 175.244 176.300 -0.045 0.000 1.150 305 D CA -0.081 53.908 54.000 -0.019 0.000 0.864 305 D CB 1.318 42.126 40.800 0.014 0.000 1.481 305 D HN -0.109 nan 8.370 nan 0.000 0.509 306 N N 2.213 120.886 118.700 -0.045 0.000 2.170 306 N HA 0.091 4.830 4.740 -0.000 0.000 0.222 306 N C -1.182 174.315 175.510 -0.022 0.000 1.218 306 N CA -0.046 52.977 53.050 -0.045 0.000 0.889 306 N CB 0.541 39.006 38.487 -0.037 0.000 1.083 306 N HN 0.297 nan 8.380 nan 0.000 0.520 307 D N 0.389 120.777 120.400 -0.020 0.000 2.863 307 D HA 0.315 4.955 4.640 -0.000 0.000 0.323 307 D C 0.384 176.682 176.300 -0.004 0.000 1.286 307 D CA -0.191 53.803 54.000 -0.010 0.000 0.921 307 D CB 0.928 41.716 40.800 -0.020 0.000 1.024 307 D HN 0.229 nan 8.370 nan 0.000 0.505 308 I N -0.273 120.301 120.570 0.006 0.000 3.783 308 I HA 0.451 4.621 4.170 -0.000 0.000 0.272 308 I C 1.628 177.760 176.117 0.026 0.000 1.329 308 I CA -0.837 60.473 61.300 0.017 0.000 0.887 308 I CB 0.647 38.661 38.000 0.023 0.000 1.596 308 I HN 0.109 nan 8.210 nan 0.000 0.712 309 A N 0.670 123.511 122.820 0.034 0.000 1.924 309 A HA 0.214 4.534 4.320 -0.000 0.000 0.211 309 A C 1.584 179.197 177.584 0.048 0.000 1.198 309 A CA 0.745 52.804 52.037 0.036 0.000 0.657 309 A CB -0.869 18.152 19.000 0.035 0.000 0.852 309 A HN 0.818 nan 8.150 nan 0.000 0.454 310 G N 0.156 108.993 108.800 0.062 0.000 2.852 310 G HA2 0.323 4.283 3.960 -0.000 0.000 0.280 310 G HA3 0.323 4.283 3.960 -0.000 0.000 0.280 310 G C 0.538 175.491 174.900 0.089 0.000 0.731 310 G CA 0.135 45.281 45.100 0.076 0.000 2.037 310 G HN 0.554 nan 8.290 nan 0.000 0.560 311 Q N 0.734 120.576 119.800 0.071 0.000 2.410 311 Q HA -0.252 4.088 4.340 -0.000 0.000 0.227 311 Q C -0.983 175.077 176.000 0.100 0.000 1.099 311 Q CA 1.962 57.808 55.803 0.072 0.000 0.988 311 Q CB -1.712 27.061 28.738 0.058 0.000 1.051 311 Q HN 0.460 nan 8.270 nan 0.000 0.518 312 P HA -0.197 nan 4.420 nan 0.000 0.235 312 P C -0.229 177.197 177.300 0.210 0.000 1.053 312 P CA 1.080 64.291 63.100 0.185 0.000 0.833 312 P CB 0.015 31.872 31.700 0.261 0.000 0.737 313 Q N 2.918 122.811 119.800 0.155 0.000 2.432 313 Q HA 0.067 4.407 4.340 -0.000 0.000 0.205 313 Q C 0.881 176.977 176.000 0.161 0.000 0.945 313 Q CA 0.756 56.633 55.803 0.122 0.000 0.924 313 Q CB 0.063 28.849 28.738 0.081 0.000 1.016 313 Q HN 0.614 nan 8.270 nan 0.000 0.503 314 A N 1.108 124.089 122.820 0.269 0.000 2.303 314 A HA -0.185 4.135 4.320 -0.000 0.000 0.286 314 A C -0.102 177.592 177.584 0.184 0.000 1.429 314 A CA 0.230 52.467 52.037 0.334 0.000 0.738 314 A CB -2.123 17.117 19.000 0.400 0.000 1.149 314 A HN 0.352 nan 8.150 nan 0.000 0.364 315 L N 0.793 122.101 121.223 0.141 0.000 2.436 315 L HA 0.359 4.699 4.340 -0.000 0.000 0.265 315 L C 1.111 178.043 176.870 0.104 0.000 1.168 315 L CA -0.288 54.613 54.840 0.101 0.000 0.815 315 L CB 0.743 42.848 42.059 0.078 0.000 1.109 315 L HN 0.781 nan 8.230 nan 0.000 0.462 316 Q N 2.032 121.889 119.800 0.095 0.000 2.259 316 Q HA 0.115 4.455 4.340 -0.000 0.000 0.249 316 Q C -0.418 175.635 176.000 0.087 0.000 0.914 316 Q CA -0.630 55.238 55.803 0.108 0.000 0.904 316 Q CB 1.079 29.899 28.738 0.136 0.000 1.213 316 Q HN 0.372 nan 8.270 nan 0.000 0.428 317 K N 1.772 122.218 120.400 0.077 0.000 2.321 317 K HA -0.132 4.188 4.320 -0.000 0.000 0.266 317 K C -0.329 176.307 176.600 0.059 0.000 1.215 317 K CA 1.356 57.677 56.287 0.056 0.000 1.225 317 K CB -0.238 32.285 32.500 0.038 0.000 0.827 317 K HN 0.837 nan 8.250 nan 0.000 0.478 318 S N 0.636 116.365 115.700 0.049 0.000 4.614 318 S HA -0.051 4.419 4.470 -0.000 0.000 0.057 318 S C 0.869 175.492 174.600 0.039 0.000 0.887 318 S CA -0.045 58.181 58.200 0.042 0.000 0.905 318 S CB -1.450 61.779 63.200 0.049 0.000 0.418 318 S HN 1.008 nan 8.310 nan 0.000 0.797 319 G N 1.774 110.600 108.800 0.043 0.000 2.179 319 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.260 319 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.260 319 G C -0.061 174.863 174.900 0.041 0.000 0.977 319 G CA 0.436 45.560 45.100 0.040 0.000 0.641 319 G HN 0.868 nan 8.290 nan 0.000 0.533 320 R N 1.046 121.572 120.500 0.045 0.000 2.370 320 R HA 0.299 4.638 4.340 -0.000 0.000 0.309 320 R C -0.879 175.448 176.300 0.045 0.000 1.059 320 R CA -1.123 55.001 56.100 0.040 0.000 0.981 320 R CB 0.646 30.971 30.300 0.041 0.000 0.972 320 R HN 0.063 nan 8.270 nan 0.000 0.437 321 P HA -0.198 nan 4.420 nan 0.000 0.217 321 P C -0.518 176.804 177.300 0.037 0.000 1.158 321 P CA 1.027 64.148 63.100 0.035 0.000 0.887 321 P CB 0.164 31.876 31.700 0.020 0.000 0.792 322 V N -2.452 117.478 119.914 0.026 0.000 3.136 322 V HA -0.129 3.991 4.120 -0.000 0.000 0.448 322 V C -0.111 175.981 176.094 -0.004 0.000 0.682 322 V CA -0.247 62.065 62.300 0.020 0.000 1.979 322 V CB -1.347 30.502 31.823 0.043 0.000 2.455 322 V HN 0.179 nan 8.190 nan 0.000 0.492 323 K N 4.035 124.422 120.400 -0.021 0.000 2.395 323 K HA 0.367 4.687 4.320 -0.000 0.000 0.283 323 K C 0.726 177.292 176.600 -0.056 0.000 1.068 323 K CA 0.655 56.918 56.287 -0.040 0.000 1.039 323 K CB 0.495 32.965 32.500 -0.050 0.000 0.924 323 K HN 0.866 nan 8.250 nan 0.000 0.468 324 S N 2.708 118.369 115.700 -0.065 0.000 2.592 324 S HA 0.162 4.632 4.470 -0.000 0.000 0.271 324 S C 1.530 176.049 174.600 -0.136 0.000 1.326 324 S CA -0.811 57.332 58.200 -0.096 0.000 1.024 324 S CB 0.696 63.850 63.200 -0.077 0.000 0.921 324 S HN 0.497 nan 8.310 nan 0.000 0.527 325 I N 1.316 121.753 120.570 -0.220 0.000 2.185 325 I HA -0.305 3.865 4.170 -0.000 0.000 0.246 325 I C 2.949 178.974 176.117 -0.152 0.000 1.088 325 I CA 2.101 63.270 61.300 -0.218 0.000 1.347 325 I CB -0.430 37.379 38.000 -0.318 0.000 1.041 325 I HN 0.842 nan 8.210 nan 0.000 0.415 326 R N 1.751 122.169 120.500 -0.137 0.000 2.103 326 R HA -0.225 4.115 4.340 -0.000 0.000 0.242 326 R C 2.293 178.515 176.300 -0.130 0.000 1.142 326 R CA 1.886 57.898 56.100 -0.147 0.000 0.960 326 R CB -0.474 29.750 30.300 -0.126 0.000 0.858 326 R HN 0.327 nan 8.270 nan 0.000 0.439 327 A N 1.474 124.233 122.820 -0.103 0.000 1.940 327 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 327 A C 2.206 179.741 177.584 -0.082 0.000 1.176 327 A CA 1.534 53.521 52.037 -0.084 0.000 0.631 327 A CB -0.534 18.426 19.000 -0.066 0.000 0.814 327 A HN 0.447 nan 8.150 nan 0.000 0.446 328 R N -0.733 119.714 120.500 -0.088 0.000 2.159 328 R HA -0.097 4.243 4.340 -0.000 0.000 0.237 328 R C 1.675 177.929 176.300 -0.078 0.000 1.131 328 R CA 1.513 57.566 56.100 -0.079 0.000 0.982 328 R CB -0.393 29.857 30.300 -0.084 0.000 0.868 328 R HN 0.574 nan 8.270 nan 0.000 0.453 329 L N -0.120 121.044 121.223 -0.097 0.000 2.357 329 L HA 0.112 4.452 4.340 -0.000 0.000 0.211 329 L C 0.897 177.709 176.870 -0.097 0.000 1.075 329 L CA -0.176 54.604 54.840 -0.100 0.000 0.830 329 L CB -0.181 41.797 42.059 -0.135 0.000 0.996 329 L HN -0.037 nan 8.230 nan 0.000 0.467 330 K N 2.219 122.555 120.400 -0.107 0.000 2.510 330 K HA -0.048 4.272 4.320 -0.000 0.000 0.272 330 K C 0.653 177.212 176.600 -0.068 0.000 1.025 330 K CA 0.356 56.585 56.287 -0.097 0.000 1.134 330 K CB 0.243 32.690 32.500 -0.089 0.000 0.827 330 K HN 0.191 nan 8.250 nan 0.000 0.485 331 G N 3.601 112.363 108.800 -0.063 0.000 2.391 331 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.231 331 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.231 331 G C -0.518 174.376 174.900 -0.011 0.000 1.107 331 G CA 0.593 45.675 45.100 -0.029 0.000 0.863 331 G HN 0.955 nan 8.290 nan 0.000 0.482 332 K N 1.125 121.530 120.400 0.009 0.000 7.415 332 K HA -0.237 4.083 4.320 -0.000 0.000 0.652 332 K C 0.915 177.514 176.600 -0.003 0.000 2.588 332 K CA 1.511 57.806 56.287 0.013 0.000 1.948 332 K CB -0.462 32.051 32.500 0.021 0.000 2.086 332 K HN 0.999 nan 8.250 nan 0.000 0.274 333 E N -1.328 118.872 120.200 -0.002 0.000 3.760 333 E HA -0.230 4.120 4.350 -0.000 0.000 0.317 333 E C 0.442 177.031 176.600 -0.017 0.000 0.730 333 E CA 2.106 58.501 56.400 -0.008 0.000 1.106 333 E CB -1.601 28.093 29.700 -0.010 0.000 1.574 333 E HN 0.877 nan 8.360 nan 0.000 0.451 334 G N -0.096 108.691 108.800 -0.022 0.000 2.478 334 G HA2 0.451 4.411 3.960 -0.000 0.000 0.317 334 G HA3 0.451 4.411 3.960 -0.000 0.000 0.317 334 G C 0.499 175.379 174.900 -0.033 0.000 1.259 334 G CA 0.178 45.258 45.100 -0.033 0.000 0.933 334 G HN 0.024 nan 8.290 nan 0.000 0.478 335 R N 1.342 121.821 120.500 -0.035 0.000 2.324 335 R HA -0.344 3.996 4.340 -0.000 0.000 0.193 335 R C 2.273 178.558 176.300 -0.025 0.000 0.998 335 R CA 2.436 58.516 56.100 -0.032 0.000 0.222 335 R CB -1.024 29.251 30.300 -0.041 0.000 0.607 335 R HN 0.520 nan 8.270 nan 0.000 0.227 336 I N 0.070 120.622 120.570 -0.030 0.000 2.043 336 I HA -0.324 3.846 4.170 -0.000 0.000 0.231 336 I C 2.475 178.588 176.117 -0.007 0.000 1.024 336 I CA 2.004 63.292 61.300 -0.019 0.000 1.309 336 I CB -1.206 36.778 38.000 -0.027 0.000 1.030 336 I HN 0.424 nan 8.210 nan 0.000 0.389 337 R N 0.233 120.731 120.500 -0.002 0.000 2.189 337 R HA -0.091 4.249 4.340 -0.000 0.000 0.223 337 R C 1.658 177.961 176.300 0.006 0.000 1.092 337 R CA 1.324 57.431 56.100 0.012 0.000 0.989 337 R CB -0.196 30.121 30.300 0.028 0.000 0.876 337 R HN 0.539 nan 8.270 nan 0.000 0.457 338 G N -1.404 107.395 108.800 -0.003 0.000 3.519 338 G HA2 0.040 4.000 3.960 -0.000 0.000 0.269 338 G HA3 0.040 4.000 3.960 -0.000 0.000 0.269 338 G C 0.569 175.464 174.900 -0.007 0.000 1.028 338 G CA -0.306 44.791 45.100 -0.003 0.000 0.809 338 G HN 0.172 nan 8.290 nan 0.000 0.521 339 N N -0.542 118.152 118.700 -0.011 0.000 2.372 339 N HA 0.182 4.922 4.740 -0.000 0.000 0.242 339 N C 1.663 177.165 175.510 -0.013 0.000 1.124 339 N CA 0.099 53.141 53.050 -0.013 0.000 0.824 339 N CB 0.707 39.184 38.487 -0.017 0.000 1.468 339 N HN 0.189 nan 8.380 nan 0.000 0.470 340 L N 0.349 121.564 121.223 -0.013 0.000 2.349 340 L HA 0.258 4.598 4.340 -0.000 0.000 0.200 340 L C 1.700 178.562 176.870 -0.014 0.000 1.064 340 L CA 0.392 55.224 54.840 -0.013 0.000 0.821 340 L CB -0.055 41.998 42.059 -0.010 0.000 1.027 340 L HN -0.029 nan 8.230 nan 0.000 0.476 341 M N 0.010 119.604 119.600 -0.009 0.000 2.659 341 M HA 0.244 4.724 4.480 -0.000 0.000 0.243 341 M C 0.564 176.855 176.300 -0.015 0.000 1.111 341 M CA 0.311 55.605 55.300 -0.010 0.000 1.070 341 M CB -0.692 31.907 32.600 -0.001 0.000 1.525 341 M HN 0.207 nan 8.290 nan 0.000 0.517 342 G N 0.487 109.278 108.800 -0.014 0.000 2.658 342 G HA2 0.507 4.467 3.960 -0.000 0.000 0.301 342 G HA3 0.507 4.467 3.960 -0.000 0.000 0.301 342 G C -1.192 173.701 174.900 -0.012 0.000 1.481 342 G CA -0.820 44.271 45.100 -0.015 0.000 0.931 342 G HN 0.183 nan 8.290 nan 0.000 0.573 343 K N 0.569 120.961 120.400 -0.014 0.000 2.430 343 K HA 0.644 4.964 4.320 -0.000 0.000 0.268 343 K C -0.193 176.410 176.600 0.004 0.000 1.043 343 K CA -1.132 55.150 56.287 -0.007 0.000 0.899 343 K CB 2.319 34.811 32.500 -0.012 0.000 1.472 343 K HN 0.452 nan 8.250 nan 0.000 0.451 344 R N 0.508 121.017 120.500 0.015 0.000 2.543 344 R HA 0.551 4.891 4.340 -0.000 0.000 0.268 344 R C -0.416 175.907 176.300 0.038 0.000 1.067 344 R CA -0.826 55.295 56.100 0.036 0.000 1.142 344 R CB 1.219 31.540 30.300 0.036 0.000 1.110 344 R HN 0.475 nan 8.270 nan 0.000 0.549 345 V N -1.799 118.157 119.914 0.070 0.000 3.147 345 V HA 0.436 4.556 4.120 -0.000 0.000 0.306 345 V C -1.193 174.991 176.094 0.150 0.000 1.209 345 V CA -1.102 61.246 62.300 0.081 0.000 1.023 345 V CB 2.479 34.320 31.823 0.030 0.000 1.059 345 V HN 0.607 nan 8.190 nan 0.000 0.435 346 D N 1.615 122.141 120.400 0.209 0.000 2.423 346 D HA 0.530 5.170 4.640 -0.000 0.000 0.255 346 D C -0.251 176.355 176.300 0.511 0.000 1.174 346 D CA 0.239 54.432 54.000 0.322 0.000 1.008 346 D CB 0.534 41.606 40.800 0.453 0.000 1.101 346 D HN 0.766 nan 8.370 nan 0.000 0.516 347 F N -0.279 119.730 119.950 0.098 0.000 2.807 347 F HA -0.225 4.302 4.527 -0.000 0.000 0.297 347 F C 0.083 175.993 175.800 0.183 0.000 1.024 347 F CA 0.128 58.204 58.000 0.126 0.000 1.008 347 F CB -2.178 36.889 39.000 0.111 0.000 1.142 347 F HN 0.226 nan 8.300 nan 0.000 0.829 348 S N -0.859 114.990 115.700 0.248 0.000 2.543 348 S HA 0.974 5.444 4.470 -0.000 0.000 0.273 348 S C -0.683 173.999 174.600 0.138 0.000 1.152 348 S CA -0.314 58.033 58.200 0.244 0.000 0.910 348 S CB 2.058 65.487 63.200 0.381 0.000 1.105 348 S HN 1.455 nan 8.310 nan 0.000 0.465 349 A N 1.976 124.872 122.820 0.127 0.000 2.532 349 A HA 0.990 5.310 4.320 -0.000 0.000 0.290 349 A C -0.680 177.047 177.584 0.239 0.000 1.143 349 A CA -1.000 51.139 52.037 0.170 0.000 0.728 349 A CB 1.934 21.067 19.000 0.221 0.000 1.317 349 A HN 1.123 nan 8.150 nan 0.000 0.414 350 R N -0.240 120.399 120.500 0.232 0.000 2.604 350 R HA 0.668 5.008 4.340 -0.000 0.000 0.270 350 R C -0.951 175.409 176.300 0.099 0.000 1.052 350 R CA 0.441 56.709 56.100 0.280 0.000 0.902 350 R CB 1.975 32.345 30.300 0.117 0.000 1.233 350 R HN 1.324 nan 8.270 nan 0.000 0.455 351 T N -1.479 113.115 114.554 0.067 0.000 2.630 351 T HA 0.381 4.731 4.350 -0.000 0.000 0.300 351 T C -1.092 173.604 174.700 -0.006 0.000 1.261 351 T CA -0.601 61.415 62.100 -0.139 0.000 1.060 351 T CB 0.940 69.513 68.868 -0.493 0.000 1.670 351 T HN 0.195 nan 8.240 nan 0.000 0.473 352 V N 2.222 122.109 119.914 -0.045 0.000 2.509 352 V HA 0.531 4.651 4.120 -0.000 0.000 0.284 352 V C 0.478 176.623 176.094 0.084 0.000 1.047 352 V CA -0.826 61.496 62.300 0.036 0.000 0.952 352 V CB 0.722 32.552 31.823 0.011 0.000 0.988 352 V HN 0.843 nan 8.190 nan 0.000 0.469 353 I N 2.769 123.449 120.570 0.184 0.000 2.499 353 I HA 0.872 5.042 4.170 -0.000 0.000 0.296 353 I C 0.017 176.211 176.117 0.129 0.000 0.992 353 I CA 0.026 61.474 61.300 0.245 0.000 1.297 353 I CB 1.883 40.103 38.000 0.367 0.000 1.410 353 I HN 0.640 nan 8.210 nan 0.000 0.507 354 S N 2.615 118.209 115.700 -0.177 0.000 2.536 354 S HA 0.705 5.175 4.470 -0.000 0.000 0.271 354 S C -0.205 173.772 174.600 -1.038 0.000 1.134 354 S CA -0.733 56.954 58.200 -0.854 0.000 0.897 354 S CB 1.143 64.073 63.200 -0.450 0.000 1.094 354 S HN 1.128 nan 8.310 nan 0.000 0.473 355 G N 0.326 107.998 108.800 -1.880 0.000 2.503 355 G HA2 0.483 4.443 3.960 -0.000 0.000 0.257 355 G HA3 0.483 4.443 3.960 -0.000 0.000 0.257 355 G C -0.998 173.730 174.900 -0.286 0.000 1.214 355 G CA -0.131 44.589 45.100 -0.633 0.000 0.839 355 G HN 0.738 nan 8.290 nan 0.000 0.559 356 D N 1.480 121.825 120.400 -0.091 0.000 2.375 356 D HA 0.211 4.850 4.640 -0.000 0.000 0.241 356 D C -2.121 174.192 176.300 0.022 0.000 1.361 356 D CA -1.421 52.549 54.000 -0.049 0.000 0.995 356 D CB 2.291 43.053 40.800 -0.063 0.000 1.312 356 D HN 0.138 nan 8.370 nan 0.000 0.576 357 P HA 0.115 nan 4.420 nan 0.000 0.279 357 P C -0.022 177.343 177.300 0.109 0.000 1.451 357 P CA 0.067 63.230 63.100 0.106 0.000 0.783 357 P CB 0.118 31.898 31.700 0.135 0.000 1.490 358 N N -0.427 118.308 118.700 0.058 0.000 2.240 358 N HA 0.207 4.946 4.740 -0.000 0.000 0.240 358 N C -0.181 175.323 175.510 -0.010 0.000 1.277 358 N CA -0.043 53.022 53.050 0.025 0.000 0.873 358 N CB 1.010 39.501 38.487 0.006 0.000 1.222 358 N HN 0.228 nan 8.380 nan 0.000 0.507 359 L N 1.378 122.601 121.223 0.000 0.000 2.329 359 L HA 0.388 4.728 4.340 -0.000 0.000 0.279 359 L C 0.321 177.191 176.870 0.000 0.000 1.014 359 L CA -0.881 53.947 54.840 -0.020 0.000 0.814 359 L CB 1.636 43.667 42.059 -0.046 0.000 1.257 359 L HN -0.173 nan 8.230 nan 0.000 0.424 360 E N 1.616 121.813 120.200 -0.005 0.000 2.438 360 E HA -0.058 4.292 4.350 -0.000 0.000 0.261 360 E C 0.766 177.374 176.600 0.013 0.000 1.103 360 E CA -0.163 56.247 56.400 0.017 0.000 0.959 360 E CB 0.920 30.626 29.700 0.010 0.000 0.958 360 E HN 0.424 nan 8.360 nan 0.000 0.447 361 L N 2.536 123.770 121.223 0.019 0.000 1.976 361 L HA -0.294 4.046 4.340 -0.000 0.000 0.223 361 L C 1.658 178.549 176.870 0.033 0.000 1.081 361 L CA 2.742 57.571 54.840 -0.018 0.000 0.784 361 L CB -0.800 41.173 42.059 -0.142 0.000 0.896 361 L HN 0.675 nan 8.230 nan 0.000 0.438 362 D N -1.265 119.167 120.400 0.053 0.000 2.403 362 D HA -0.156 4.484 4.640 -0.000 0.000 0.227 362 D C 0.809 177.204 176.300 0.159 0.000 0.995 362 D CA 0.569 54.655 54.000 0.144 0.000 0.928 362 D CB -0.405 40.429 40.800 0.057 0.000 0.887 362 D HN 0.589 nan 8.370 nan 0.000 0.529 363 Q N -0.748 119.064 119.800 0.020 0.000 2.222 363 Q HA 0.530 4.870 4.340 -0.000 0.000 0.211 363 Q C -0.947 174.900 176.000 -0.255 0.000 1.013 363 Q CA -0.884 54.883 55.803 -0.060 0.000 0.993 363 Q CB 2.395 31.092 28.738 -0.068 0.000 1.151 363 Q HN 0.035 nan 8.270 nan 0.000 0.544 364 V N 0.116 119.858 119.914 -0.287 0.000 2.697 364 V HA 0.431 4.550 4.120 -0.000 0.000 0.296 364 V C -0.833 175.098 176.094 -0.272 0.000 1.140 364 V CA -0.421 61.581 62.300 -0.497 0.000 0.921 364 V CB 1.558 32.865 31.823 -0.860 0.000 1.036 364 V HN 0.820 nan 8.190 nan 0.000 0.438 365 G N 5.940 114.627 108.800 -0.188 0.000 2.346 365 G HA2 0.459 4.419 3.960 -0.000 0.000 0.275 365 G HA3 0.459 4.419 3.960 -0.000 0.000 0.275 365 G C -0.418 174.501 174.900 0.031 0.000 1.190 365 G CA -0.002 45.056 45.100 -0.069 0.000 1.015 365 G HN 0.892 nan 8.290 nan 0.000 0.441 366 V N 6.229 126.161 119.914 0.030 0.000 2.435 366 V HA 0.368 4.488 4.120 -0.000 0.000 0.290 366 V C -1.737 174.351 176.094 -0.008 0.000 1.030 366 V CA -1.819 60.546 62.300 0.108 0.000 0.881 366 V CB 2.061 33.950 31.823 0.110 0.000 0.983 366 V HN 0.645 nan 8.190 nan 0.000 0.445 367 P HA 0.128 nan 4.420 nan 0.000 0.276 367 P C 0.430 177.646 177.300 -0.141 0.000 1.230 367 P CA -0.335 62.694 63.100 -0.118 0.000 0.776 367 P CB 1.171 32.775 31.700 -0.160 0.000 0.888 368 K N 2.670 122.951 120.400 -0.199 0.000 2.127 368 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 368 K C 1.988 178.476 176.600 -0.187 0.000 1.047 368 K CA 2.089 58.207 56.287 -0.282 0.000 0.927 368 K CB -0.453 31.864 32.500 -0.305 0.000 0.716 368 K HN 0.373 nan 8.250 nan 0.000 0.450 369 S N 0.669 116.284 115.700 -0.142 0.000 2.380 369 S HA -0.216 4.254 4.470 -0.000 0.000 0.229 369 S C 1.913 176.476 174.600 -0.062 0.000 1.050 369 S CA 1.916 60.057 58.200 -0.098 0.000 1.100 369 S CB -0.336 62.804 63.200 -0.099 0.000 0.984 369 S HN 0.421 nan 8.310 nan 0.000 0.434 370 I N 1.595 122.131 120.570 -0.057 0.000 2.193 370 I HA -0.070 4.099 4.170 -0.000 0.000 0.240 370 I C 2.916 179.058 176.117 0.042 0.000 1.084 370 I CA 0.945 62.245 61.300 -0.001 0.000 1.365 370 I CB -0.743 37.270 38.000 0.022 0.000 1.064 370 I HN 0.431 nan 8.210 nan 0.000 0.410 371 A N 0.755 123.587 122.820 0.020 0.000 2.054 371 A HA -0.268 4.052 4.320 -0.000 0.000 0.223 371 A C 2.199 179.892 177.584 0.182 0.000 1.169 371 A CA 1.888 53.974 52.037 0.081 0.000 0.655 371 A CB -0.540 18.427 19.000 -0.055 0.000 0.812 371 A HN 0.411 nan 8.150 nan 0.000 0.462 372 K N -1.755 118.700 120.400 0.091 0.000 2.379 372 K HA 0.058 4.378 4.320 -0.000 0.000 0.194 372 K C 1.474 178.243 176.600 0.282 0.000 1.031 372 K CA 0.931 57.316 56.287 0.163 0.000 1.037 372 K CB 0.130 32.607 32.500 -0.039 0.000 0.824 372 K HN 0.457 nan 8.250 nan 0.000 0.516 373 T N 1.304 115.938 114.554 0.133 0.000 2.904 373 T HA 0.143 4.493 4.350 -0.000 0.000 0.243 373 T C 0.759 175.461 174.700 0.004 0.000 1.024 373 T CA 0.152 62.278 62.100 0.043 0.000 1.158 373 T CB 0.145 69.016 68.868 0.006 0.000 0.867 373 T HN -0.001 nan 8.240 nan 0.000 0.429 374 L N 2.083 123.330 121.223 0.039 0.000 2.453 374 L HA 0.306 4.646 4.340 -0.000 0.000 0.272 374 L C 0.612 177.527 176.870 0.074 0.000 1.182 374 L CA 0.016 54.862 54.840 0.011 0.000 0.858 374 L CB 0.535 42.656 42.059 0.103 0.000 1.120 374 L HN 0.203 nan 8.230 nan 0.000 0.474 375 T N 1.598 116.179 114.554 0.045 0.000 2.888 375 T HA 0.551 4.901 4.350 -0.000 0.000 0.288 375 T C -1.651 173.306 174.700 0.429 0.000 1.063 375 T CA -0.425 61.780 62.100 0.175 0.000 1.010 375 T CB 1.423 70.341 68.868 0.083 0.000 1.214 375 T HN 0.421 nan 8.240 nan 0.000 0.533 376 Y N 2.572 122.998 120.300 0.211 0.000 2.362 376 Y HA 0.483 5.033 4.550 -0.000 0.000 0.326 376 Y C -2.705 173.268 175.900 0.122 0.000 1.083 376 Y CA -2.191 56.019 58.100 0.184 0.000 1.073 376 Y CB 2.088 40.626 38.460 0.130 0.000 1.211 376 Y HN 0.378 nan 8.280 nan 0.000 0.433 377 P HA 0.080 nan 4.420 nan 0.000 0.274 377 P C -0.869 176.174 177.300 -0.429 0.000 1.291 377 P CA 0.385 63.268 63.100 -0.362 0.000 0.815 377 P CB 1.034 32.529 31.700 -0.341 0.000 0.897 378 E N 2.936 123.099 120.200 -0.061 0.000 2.195 378 E HA 0.373 4.723 4.350 -0.000 0.000 0.271 378 E C -0.887 175.743 176.600 0.049 0.000 0.923 378 E CA -1.048 55.409 56.400 0.096 0.000 0.790 378 E CB 1.503 31.345 29.700 0.235 0.000 1.155 378 E HN 0.109 nan 8.360 nan 0.000 0.402 379 V N 4.058 124.002 119.914 0.050 0.000 2.465 379 V HA 0.135 4.255 4.120 -0.000 0.000 0.279 379 V C -0.016 176.088 176.094 0.016 0.000 1.045 379 V CA -0.888 61.434 62.300 0.036 0.000 0.938 379 V CB 1.386 33.224 31.823 0.026 0.000 0.986 379 V HN 0.545 nan 8.190 nan 0.000 0.467 380 V N 4.756 124.677 119.914 0.011 0.000 2.420 380 V HA 0.082 4.202 4.120 -0.000 0.000 0.274 380 V C 0.700 176.700 176.094 -0.157 0.000 1.003 380 V CA 0.867 63.114 62.300 -0.088 0.000 1.092 380 V CB -0.058 31.691 31.823 -0.124 0.000 1.002 380 V HN 1.005 nan 8.190 nan 0.000 0.473 381 T N 7.770 122.213 114.554 -0.184 0.000 2.887 381 T HA 0.432 4.782 4.350 -0.000 0.000 0.288 381 T C -1.466 173.085 174.700 -0.248 0.000 1.021 381 T CA -1.455 60.512 62.100 -0.222 0.000 1.000 381 T CB 2.148 70.824 68.868 -0.321 0.000 1.034 381 T HN 0.436 nan 8.240 nan 0.000 0.467 382 P HA -0.141 nan 4.420 nan 0.000 0.222 382 P C 0.787 178.189 177.300 0.171 0.000 1.142 382 P CA 1.436 64.620 63.100 0.141 0.000 0.788 382 P CB -0.054 31.872 31.700 0.376 0.000 0.767 383 Y N 0.659 120.988 120.300 0.049 0.000 2.516 383 Y HA -0.027 4.523 4.550 -0.000 0.000 0.291 383 Y C 1.689 177.591 175.900 0.002 0.000 1.131 383 Y CA 0.416 58.532 58.100 0.026 0.000 1.281 383 Y CB -0.456 38.022 38.460 0.030 0.000 1.013 383 Y HN 0.212 nan 8.280 nan 0.000 0.554 384 N N -2.192 116.561 118.700 0.089 0.000 2.082 384 N HA -0.012 4.728 4.740 -0.000 0.000 0.228 384 N C 0.905 176.390 175.510 -0.041 0.000 1.341 384 N CA -0.101 52.969 53.050 0.034 0.000 0.873 384 N CB -0.760 37.755 38.487 0.046 0.000 1.137 384 N HN 0.027 nan 8.380 nan 0.000 0.505 385 I N 1.871 122.372 120.570 -0.116 0.000 2.181 385 I HA -0.309 3.861 4.170 -0.000 0.000 0.247 385 I C 0.897 176.944 176.117 -0.116 0.000 1.081 385 I CA 1.702 62.879 61.300 -0.204 0.000 1.340 385 I CB -0.472 37.311 38.000 -0.362 0.000 1.036 385 I HN 0.265 nan 8.210 nan 0.000 0.417 386 D N -0.230 120.131 120.400 -0.065 0.000 2.081 386 D HA -0.244 4.396 4.640 -0.000 0.000 0.194 386 D C 2.121 178.407 176.300 -0.025 0.000 0.986 386 D CA 1.328 55.306 54.000 -0.037 0.000 0.837 386 D CB -0.490 40.302 40.800 -0.014 0.000 0.985 386 D HN 0.293 nan 8.370 nan 0.000 0.448 387 R N 0.762 121.256 120.500 -0.011 0.000 2.133 387 R HA -0.195 4.145 4.340 -0.000 0.000 0.245 387 R C 2.668 178.965 176.300 -0.004 0.000 1.137 387 R CA 1.324 57.422 56.100 -0.003 0.000 0.947 387 R CB -0.598 29.707 30.300 0.008 0.000 0.865 387 R HN 0.148 nan 8.270 nan 0.000 0.437 388 L N -0.294 120.924 121.223 -0.009 0.000 2.042 388 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 388 L C 2.389 179.257 176.870 -0.005 0.000 1.076 388 L CA 1.953 56.791 54.840 -0.002 0.000 0.749 388 L CB -0.424 41.629 42.059 -0.010 0.000 0.893 388 L HN 0.364 nan 8.230 nan 0.000 0.432 389 T N -1.657 112.883 114.554 -0.023 0.000 2.881 389 T HA -0.234 4.116 4.350 -0.000 0.000 0.270 389 T C 1.735 176.433 174.700 -0.004 0.000 1.068 389 T CA 1.095 63.185 62.100 -0.018 0.000 1.131 389 T CB -0.079 68.767 68.868 -0.037 0.000 0.871 389 T HN 0.207 nan 8.240 nan 0.000 0.479 390 Q N 1.037 120.834 119.800 -0.005 0.000 2.020 390 Q HA 0.120 4.460 4.340 -0.000 0.000 0.198 390 Q C 2.078 178.081 176.000 0.005 0.000 0.974 390 Q CA 1.318 57.121 55.803 -0.001 0.000 0.829 390 Q CB -0.722 28.013 28.738 -0.005 0.000 0.894 390 Q HN 0.470 nan 8.270 nan 0.000 0.433 391 L N -0.548 120.680 121.223 0.008 0.000 2.127 391 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 391 L C 2.220 179.105 176.870 0.026 0.000 1.089 391 L CA 0.885 55.736 54.840 0.018 0.000 0.757 391 L CB -0.409 41.664 42.059 0.023 0.000 0.899 391 L HN 0.097 nan 8.230 nan 0.000 0.434 392 V N -0.883 119.045 119.914 0.022 0.000 2.453 392 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 392 V C 2.562 178.672 176.094 0.026 0.000 1.048 392 V CA 1.464 63.780 62.300 0.027 0.000 1.049 392 V CB -0.559 31.287 31.823 0.038 0.000 0.672 392 V HN 0.369 nan 8.190 nan 0.000 0.457 393 R N 0.176 120.688 120.500 0.021 0.000 2.092 393 R HA -0.075 4.264 4.340 -0.000 0.000 0.231 393 R C 2.203 178.515 176.300 0.020 0.000 1.119 393 R CA 1.087 57.199 56.100 0.019 0.000 0.970 393 R CB -0.345 29.962 30.300 0.012 0.000 0.864 393 R HN 0.509 nan 8.270 nan 0.000 0.440 394 N N 0.364 119.075 118.700 0.019 0.000 2.348 394 N HA -0.100 4.640 4.740 -0.000 0.000 0.185 394 N C 0.865 176.396 175.510 0.035 0.000 1.019 394 N CA 1.318 54.380 53.050 0.021 0.000 0.880 394 N CB 0.011 38.508 38.487 0.016 0.000 0.965 394 N HN 0.347 nan 8.380 nan 0.000 0.437 395 G N 0.438 109.262 108.800 0.039 0.000 2.828 395 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.463 395 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.463 395 G C -2.192 172.759 174.900 0.084 0.000 1.394 395 G CA -0.143 44.983 45.100 0.043 0.000 0.862 395 G HN 0.120 nan 8.290 nan 0.000 0.540 396 P HA 0.125 nan 4.420 nan 0.000 0.257 396 P C 0.655 178.049 177.300 0.158 0.000 1.281 396 P CA 0.497 63.666 63.100 0.115 0.000 0.826 396 P CB 0.226 31.898 31.700 -0.046 0.000 1.237 397 N N -0.276 118.480 118.700 0.094 0.000 2.606 397 N HA 0.048 4.787 4.740 -0.000 0.000 0.208 397 N C 0.622 176.136 175.510 0.007 0.000 1.046 397 N CA 0.316 53.392 53.050 0.042 0.000 0.891 397 N CB -0.130 38.373 38.487 0.026 0.000 1.344 397 N HN 0.153 nan 8.380 nan 0.000 0.437 398 E N 0.242 120.447 120.200 0.010 0.000 2.404 398 E HA -0.046 4.303 4.350 -0.000 0.000 0.261 398 E C 0.335 176.904 176.600 -0.051 0.000 1.074 398 E CA -0.027 56.367 56.400 -0.010 0.000 0.917 398 E CB 0.921 30.619 29.700 -0.004 0.000 0.965 398 E HN 0.302 nan 8.360 nan 0.000 0.433 399 H N 3.176 122.153 119.070 -0.156 0.000 2.524 399 H HA -0.019 4.537 4.556 -0.000 0.000 0.301 399 H C -1.651 173.537 175.328 -0.232 0.000 1.033 399 H CA 0.738 56.629 56.048 -0.261 0.000 1.179 399 H CB -1.169 28.484 29.762 -0.181 0.000 1.446 399 H HN 0.309 nan 8.280 nan 0.000 0.617 400 P HA 0.119 nan 4.420 nan 0.000 0.250 400 P C -0.373 176.828 177.300 -0.164 0.000 1.161 400 P CA 1.402 64.196 63.100 -0.510 0.000 0.863 400 P CB 0.163 31.708 31.700 -0.259 0.000 0.827 401 G N 1.603 110.429 108.800 0.044 0.000 2.604 401 G HA2 0.762 4.722 3.960 -0.000 0.000 0.242 401 G HA3 0.762 4.722 3.960 -0.000 0.000 0.242 401 G C -1.819 173.236 174.900 0.259 0.000 1.208 401 G CA 0.073 45.293 45.100 0.201 0.000 0.912 401 G HN 0.540 nan 8.290 nan 0.000 0.502 402 A N -1.102 121.738 122.820 0.032 0.000 2.566 402 A HA 0.743 5.063 4.320 -0.000 0.000 0.290 402 A C -0.405 177.010 177.584 -0.281 0.000 1.071 402 A CA 0.411 52.292 52.037 -0.261 0.000 0.658 402 A CB 1.207 20.162 19.000 -0.074 0.000 1.285 402 A HN 1.469 nan 8.150 nan 0.000 0.427 403 K N -0.647 119.557 120.400 -0.328 0.000 2.520 403 K HA 0.532 4.852 4.320 -0.000 0.000 0.206 403 K C -1.125 175.230 176.600 -0.408 0.000 1.122 403 K CA -0.043 56.026 56.287 -0.363 0.000 1.045 403 K CB 0.531 32.740 32.500 -0.484 0.000 0.932 403 K HN 0.577 nan 8.250 nan 0.000 0.571 404 Y N 0.076 120.321 120.300 -0.091 0.000 2.424 404 Y HA 0.335 4.885 4.550 -0.000 0.000 0.323 404 Y C -1.385 174.486 175.900 -0.049 0.000 1.174 404 Y CA -1.347 56.709 58.100 -0.074 0.000 1.060 404 Y CB 2.498 40.913 38.460 -0.075 0.000 1.314 404 Y HN -0.272 nan 8.280 nan 0.000 0.439 405 V N 5.436 125.434 119.914 0.139 0.000 2.604 405 V HA 0.566 4.686 4.120 -0.000 0.000 0.305 405 V C -0.533 175.518 176.094 -0.072 0.000 1.043 405 V CA -0.717 61.619 62.300 0.060 0.000 0.888 405 V CB 2.029 33.915 31.823 0.106 0.000 0.995 405 V HN 0.530 nan 8.190 nan 0.000 0.429 406 I N 2.362 122.852 120.570 -0.133 0.000 2.447 406 I HA 0.716 4.886 4.170 -0.000 0.000 0.287 406 I C -0.380 175.452 176.117 -0.475 0.000 1.023 406 I CA -0.920 60.213 61.300 -0.278 0.000 1.083 406 I CB 1.846 39.724 38.000 -0.204 0.000 1.245 406 I HN 0.452 nan 8.210 nan 0.000 0.434 407 R N 2.508 122.508 120.500 -0.834 0.000 2.549 407 R HA 0.294 4.634 4.340 -0.000 0.000 0.267 407 R C 0.707 176.659 176.300 -0.580 0.000 1.045 407 R CA -0.512 54.756 56.100 -1.386 0.000 1.115 407 R CB 0.499 29.752 30.300 -1.746 0.000 1.121 407 R HN 0.750 nan 8.270 nan 0.000 0.543 408 D N 0.072 120.273 120.400 -0.332 0.000 2.191 408 D HA -0.249 4.391 4.640 -0.000 0.000 0.195 408 D C 0.565 176.796 176.300 -0.115 0.000 1.003 408 D CA 1.728 55.673 54.000 -0.091 0.000 0.867 408 D CB -0.436 40.399 40.800 0.057 0.000 0.926 408 D HN 0.461 nan 8.370 nan 0.000 0.450 409 S N -0.300 115.313 115.700 -0.144 0.000 3.305 409 S HA 0.294 4.764 4.470 -0.000 0.000 0.248 409 S C 1.442 175.964 174.600 -0.131 0.000 1.288 409 S CA -0.184 57.949 58.200 -0.111 0.000 1.249 409 S CB -1.184 61.959 63.200 -0.094 0.000 1.116 409 S HN 0.572 nan 8.310 nan 0.000 0.465 410 G N 1.145 109.865 108.800 -0.133 0.000 2.318 410 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.272 410 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.272 410 G C -0.360 174.457 174.900 -0.139 0.000 0.845 410 G CA 0.610 45.634 45.100 -0.127 0.000 1.153 410 G HN 0.712 nan 8.290 nan 0.000 0.460 411 D N -0.768 119.520 120.400 -0.186 0.000 2.757 411 D HA 0.421 5.061 4.640 -0.000 0.000 0.249 411 D C 0.442 176.613 176.300 -0.214 0.000 1.168 411 D CA -0.781 53.114 54.000 -0.176 0.000 0.870 411 D CB 0.895 41.600 40.800 -0.158 0.000 1.411 411 D HN 0.386 nan 8.370 nan 0.000 0.525 412 R N 3.379 123.758 120.500 -0.202 0.000 2.265 412 R HA 0.505 4.845 4.340 -0.000 0.000 0.314 412 R C -0.063 176.140 176.300 -0.161 0.000 1.053 412 R CA -0.469 55.485 56.100 -0.244 0.000 0.931 412 R CB 1.008 31.091 30.300 -0.361 0.000 1.024 412 R HN 0.396 nan 8.270 nan 0.000 0.457 413 I N 2.344 122.851 120.570 -0.104 0.000 2.312 413 I HA 0.058 4.228 4.170 -0.000 0.000 0.290 413 I C 0.052 176.260 176.117 0.152 0.000 1.008 413 I CA -0.521 60.777 61.300 -0.003 0.000 1.226 413 I CB 1.292 39.288 38.000 -0.007 0.000 1.371 413 I HN 0.506 nan 8.210 nan 0.000 0.468 414 D N 7.457 127.947 120.400 0.149 0.000 2.453 414 D HA 0.135 4.775 4.640 -0.000 0.000 0.223 414 D C 1.164 177.466 176.300 0.004 0.000 1.183 414 D CA -0.062 54.053 54.000 0.192 0.000 0.933 414 D CB 0.936 41.751 40.800 0.024 0.000 1.038 414 D HN 0.528 nan 8.370 nan 0.000 0.513 415 L N 3.583 124.794 121.223 -0.019 0.000 2.103 415 L HA -0.258 4.082 4.340 -0.000 0.000 0.215 415 L C 2.497 179.355 176.870 -0.021 0.000 1.080 415 L CA 1.341 56.163 54.840 -0.029 0.000 0.764 415 L CB -0.224 41.801 42.059 -0.057 0.000 0.890 415 L HN 0.450 nan 8.230 nan 0.000 0.435 416 R N -1.417 119.027 120.500 -0.094 0.000 2.280 416 R HA -0.111 4.229 4.340 -0.000 0.000 0.207 416 R C 1.283 177.836 176.300 0.421 0.000 1.043 416 R CA 1.105 57.247 56.100 0.071 0.000 1.006 416 R CB -0.231 30.081 30.300 0.020 0.000 0.885 416 R HN 0.471 nan 8.270 nan 0.000 0.467 417 Y N 0.483 120.782 120.300 -0.002 0.000 2.769 417 Y HA 0.124 4.674 4.550 -0.000 0.000 0.266 417 Y C 1.000 176.908 175.900 0.014 0.000 1.091 417 Y CA -0.597 57.508 58.100 0.008 0.000 1.272 417 Y CB 0.234 38.703 38.460 0.016 0.000 1.469 417 Y HN -0.001 nan 8.280 nan 0.000 0.475 418 S N 2.994 118.812 115.700 0.197 0.000 3.332 418 S HA -0.187 4.283 4.470 -0.000 0.000 0.395 418 S C 0.884 175.536 174.600 0.088 0.000 1.180 418 S CA 0.200 58.469 58.200 0.115 0.000 0.985 418 S CB 0.108 63.356 63.200 0.081 0.000 0.694 418 S HN 0.543 nan 8.310 nan 0.000 0.502 419 K N 4.263 124.704 120.400 0.069 0.000 2.664 419 K HA 0.005 4.325 4.320 -0.000 0.000 0.193 419 K C 1.092 177.720 176.600 0.047 0.000 1.028 419 K CA 0.970 57.287 56.287 0.050 0.000 1.005 419 K CB -0.073 32.450 32.500 0.038 0.000 0.815 419 K HN 0.663 nan 8.250 nan 0.000 0.496 420 R N -0.798 119.734 120.500 0.054 0.000 2.541 420 R HA 0.229 4.569 4.340 -0.000 0.000 0.332 420 R C 1.581 177.914 176.300 0.056 0.000 0.951 420 R CA 0.423 56.554 56.100 0.053 0.000 1.136 420 R CB 0.489 30.823 30.300 0.058 0.000 1.449 420 R HN 0.236 nan 8.270 nan 0.000 0.531 421 A N 1.283 124.137 122.820 0.057 0.000 1.909 421 A HA -0.234 4.086 4.320 -0.000 0.000 0.221 421 A C 2.165 179.777 177.584 0.046 0.000 1.223 421 A CA 2.382 54.451 52.037 0.053 0.000 0.658 421 A CB -1.181 17.851 19.000 0.053 0.000 0.831 421 A HN 0.442 nan 8.150 nan 0.000 0.462 422 G N -1.131 107.692 108.800 0.039 0.000 2.422 422 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.218 422 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.218 422 G C 0.959 175.879 174.900 0.032 0.000 1.140 422 G CA 1.026 46.145 45.100 0.032 0.000 0.775 422 G HN 0.571 nan 8.290 nan 0.000 0.545 423 D N -0.289 120.134 120.400 0.038 0.000 2.277 423 D HA 0.280 4.920 4.640 -0.000 0.000 0.279 423 D C 0.772 177.103 176.300 0.053 0.000 1.197 423 D CA -0.235 53.789 54.000 0.040 0.000 1.037 423 D CB 0.221 41.047 40.800 0.044 0.000 1.128 423 D HN 0.156 nan 8.370 nan 0.000 0.531 424 I N -0.394 120.214 120.570 0.065 0.000 7.806 424 I HA -0.207 3.962 4.170 -0.000 0.000 0.126 424 I C -0.859 175.289 176.117 0.052 0.000 1.846 424 I CA -0.263 61.094 61.300 0.096 0.000 2.037 424 I CB -0.571 37.507 38.000 0.129 0.000 3.716 424 I HN 0.339 nan 8.210 nan 0.000 0.169 425 Q N 6.928 126.735 119.800 0.012 0.000 2.322 425 Q HA 0.697 5.037 4.340 -0.000 0.000 0.265 425 Q C -0.472 175.394 176.000 -0.223 0.000 0.985 425 Q CA -0.909 54.843 55.803 -0.084 0.000 0.849 425 Q CB 2.298 30.978 28.738 -0.097 0.000 1.274 425 Q HN 0.602 nan 8.270 nan 0.000 0.449 426 L N 1.658 122.732 121.223 -0.249 0.000 2.473 426 L HA 0.142 4.482 4.340 -0.000 0.000 0.268 426 L C 0.592 176.975 176.870 -0.811 0.000 1.215 426 L CA -0.076 54.499 54.840 -0.442 0.000 0.823 426 L CB 0.233 42.167 42.059 -0.208 0.000 1.099 426 L HN 0.416 nan 8.230 nan 0.000 0.483 427 Q N 1.336 120.297 119.800 -1.398 0.000 2.330 427 Q HA 0.328 4.668 4.340 -0.000 0.000 0.269 427 Q C -1.096 174.530 176.000 -0.623 0.000 1.022 427 Q CA -0.825 54.279 55.803 -1.165 0.000 0.796 427 Q CB 1.909 29.561 28.738 -1.810 0.000 1.271 427 Q HN 0.301 nan 8.270 nan 0.000 0.450 428 Y N 0.369 120.460 120.300 -0.348 0.000 2.890 428 Y HA 0.009 4.559 4.550 -0.000 0.000 0.341 428 Y C 1.768 177.612 175.900 -0.093 0.000 1.269 428 Y CA 2.299 60.291 58.100 -0.181 0.000 1.517 428 Y CB 0.180 38.554 38.460 -0.144 0.000 1.314 428 Y HN 0.976 nan 8.280 nan 0.000 0.622 429 G N -0.123 108.756 108.800 0.131 0.000 2.225 429 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.254 429 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.254 429 G C 0.008 175.070 174.900 0.269 0.000 0.988 429 G CA -0.127 45.069 45.100 0.160 0.000 0.625 429 G HN 0.531 nan 8.290 nan 0.000 0.527 430 W N 0.892 122.185 121.300 -0.012 0.000 2.086 430 W HA 0.735 5.395 4.660 -0.000 0.000 0.355 430 W C 0.795 177.292 176.519 -0.037 0.000 1.313 430 W CA -0.641 56.689 57.345 -0.026 0.000 1.358 430 W CB 0.421 29.863 29.460 -0.029 0.000 1.166 430 W HN 0.005 nan 8.180 nan 0.000 0.630 431 K N 0.553 121.061 120.400 0.180 0.000 2.324 431 K HA 0.551 4.871 4.320 -0.000 0.000 0.253 431 K C -1.441 175.208 176.600 0.082 0.000 0.932 431 K CA -0.866 55.469 56.287 0.080 0.000 0.799 431 K CB 2.240 34.739 32.500 -0.003 0.000 1.154 431 K HN 0.051 nan 8.250 nan 0.000 0.425 432 V N 3.155 123.114 119.914 0.076 0.000 2.326 432 V HA 0.140 4.260 4.120 -0.000 0.000 0.281 432 V C -0.273 175.860 176.094 0.066 0.000 1.015 432 V CA -0.785 61.563 62.300 0.080 0.000 0.823 432 V CB 1.187 33.059 31.823 0.082 0.000 1.009 432 V HN 0.708 nan 8.190 nan 0.000 0.436 433 E N 5.542 125.787 120.200 0.075 0.000 2.159 433 E HA 0.153 4.502 4.350 -0.000 0.000 0.272 433 E C 0.246 176.873 176.600 0.044 0.000 1.138 433 E CA -0.099 56.354 56.400 0.087 0.000 0.915 433 E CB 0.657 30.456 29.700 0.165 0.000 1.028 433 E HN 0.695 nan 8.360 nan 0.000 0.423 434 R N 2.357 122.899 120.500 0.071 0.000 2.700 434 R HA 0.404 4.744 4.340 -0.000 0.000 0.253 434 R C 0.242 176.548 176.300 0.010 0.000 1.091 434 R CA -0.810 55.295 56.100 0.009 0.000 1.104 434 R CB 0.771 31.121 30.300 0.084 0.000 1.202 434 R HN 0.358 nan 8.270 nan 0.000 0.532 435 H N 0.164 119.276 119.070 0.069 0.000 2.679 435 H HA 0.132 4.688 4.556 -0.000 0.000 0.369 435 H C 0.406 175.801 175.328 0.110 0.000 1.178 435 H CA -0.184 55.911 56.048 0.079 0.000 1.419 435 H CB 0.677 30.453 29.762 0.024 0.000 1.458 435 H HN 0.297 nan 8.280 nan 0.000 0.605 436 I N 2.760 123.505 120.570 0.292 0.000 2.588 436 I HA -0.007 4.163 4.170 -0.000 0.000 0.283 436 I C 0.891 177.126 176.117 0.197 0.000 1.119 436 I CA 0.678 62.100 61.300 0.205 0.000 1.419 436 I CB -0.290 37.824 38.000 0.189 0.000 1.394 436 I HN 0.373 nan 8.210 nan 0.000 0.562 437 M N 3.391 123.057 119.600 0.109 0.000 2.755 437 M HA 0.358 4.838 4.480 -0.000 0.000 0.298 437 M C -0.458 175.883 176.300 0.068 0.000 1.251 437 M CA -1.094 54.267 55.300 0.103 0.000 0.817 437 M CB 1.375 33.995 32.600 0.033 0.000 1.760 437 M HN 0.312 nan 8.290 nan 0.000 0.473 438 D N 2.253 122.694 120.400 0.068 0.000 2.451 438 D HA 0.046 4.686 4.640 -0.000 0.000 0.254 438 D C -0.305 175.997 176.300 0.004 0.000 1.204 438 D CA 1.221 55.239 54.000 0.031 0.000 0.896 438 D CB -0.041 40.775 40.800 0.025 0.000 1.136 438 D HN 0.582 nan 8.370 nan 0.000 0.499 439 N N 1.553 120.250 118.700 -0.005 0.000 2.989 439 N HA -0.145 4.595 4.740 -0.000 0.000 0.247 439 N C -1.385 174.105 175.510 -0.034 0.000 1.119 439 N CA 0.305 53.344 53.050 -0.017 0.000 0.755 439 N CB -0.719 37.756 38.487 -0.019 0.000 1.100 439 N HN 0.373 nan 8.380 nan 0.000 0.550 440 D N 1.173 121.553 120.400 -0.033 0.000 2.380 440 D HA 0.196 4.836 4.640 -0.000 0.000 0.230 440 D C -2.166 174.115 176.300 -0.032 0.000 1.154 440 D CA -1.243 52.717 54.000 -0.067 0.000 0.859 440 D CB 0.847 41.608 40.800 -0.064 0.000 1.045 440 D HN 0.147 nan 8.370 nan 0.000 0.495 441 P HA -0.069 nan 4.420 nan 0.000 0.260 441 P C -0.416 176.898 177.300 0.023 0.000 1.185 441 P CA 0.017 63.113 63.100 -0.006 0.000 0.763 441 P CB 0.650 32.342 31.700 -0.014 0.000 0.776 442 V N 2.736 122.675 119.914 0.041 0.000 3.001 442 V HA 0.482 4.602 4.120 -0.000 0.000 0.314 442 V C 0.005 176.152 176.094 0.089 0.000 1.099 442 V CA -1.338 61.009 62.300 0.078 0.000 0.989 442 V CB 2.448 34.317 31.823 0.076 0.000 1.040 442 V HN 0.394 nan 8.190 nan 0.000 0.434 443 L N 2.315 123.620 121.223 0.136 0.000 2.282 443 L HA 0.603 4.943 4.340 -0.000 0.000 0.288 443 L C -1.305 175.708 176.870 0.238 0.000 1.033 443 L CA -0.329 54.605 54.840 0.156 0.000 0.807 443 L CB 1.273 43.432 42.059 0.167 0.000 1.209 443 L HN 0.741 nan 8.230 nan 0.000 0.423 444 F N 5.937 125.915 119.950 0.048 0.000 2.507 444 F HA 0.578 5.105 4.527 -0.000 0.000 0.327 444 F C -0.188 175.678 175.800 0.111 0.000 1.068 444 F CA -0.702 57.306 58.000 0.012 0.000 0.965 444 F CB 1.646 40.747 39.000 0.169 0.000 1.192 444 F HN 0.585 nan 8.300 nan 0.000 0.476 445 N N 2.952 121.394 118.700 -0.431 0.000 2.935 445 N HA 0.233 4.973 4.740 -0.000 0.000 0.248 445 N C -2.223 173.077 175.510 -0.349 0.000 1.276 445 N CA -0.754 52.206 53.050 -0.150 0.000 0.906 445 N CB 2.091 40.593 38.487 0.024 0.000 1.564 445 N HN 0.810 nan 8.380 nan 0.000 0.500 446 R N 1.745 122.202 120.500 -0.073 0.000 2.451 446 R HA 0.347 4.687 4.340 -0.000 0.000 0.307 446 R C -0.798 175.488 176.300 -0.025 0.000 0.965 446 R CA -0.358 55.682 56.100 -0.100 0.000 0.865 446 R CB 1.202 31.466 30.300 -0.060 0.000 1.174 446 R HN 0.589 nan 8.270 nan 0.000 0.455 447 Q N 4.042 123.815 119.800 -0.044 0.000 2.368 447 Q HA 0.285 4.625 4.340 -0.000 0.000 0.237 447 Q C -1.892 174.089 176.000 -0.032 0.000 0.987 447 Q CA -1.721 54.065 55.803 -0.028 0.000 0.896 447 Q CB 0.706 29.432 28.738 -0.021 0.000 1.241 447 Q HN 0.514 nan 8.270 nan 0.000 0.485 448 P HA 0.033 nan 4.420 nan 0.000 0.271 448 P C -1.078 176.194 177.300 -0.047 0.000 1.216 448 P CA -0.144 62.934 63.100 -0.036 0.000 0.771 448 P CB 0.892 32.568 31.700 -0.040 0.000 0.864 449 S N 2.745 118.424 115.700 -0.035 0.000 2.411 449 S HA 0.250 4.720 4.470 -0.000 0.000 0.294 449 S C 0.753 175.320 174.600 -0.055 0.000 1.115 449 S CA -0.409 57.770 58.200 -0.036 0.000 1.071 449 S CB 0.072 63.266 63.200 -0.010 0.000 0.967 449 S HN 0.333 nan 8.310 nan 0.000 0.488 450 L N 1.786 122.956 121.223 -0.088 0.000 3.217 450 L HA 0.436 4.776 4.340 -0.000 0.000 0.288 450 L C 0.423 177.282 176.870 -0.019 0.000 1.202 450 L CA 0.104 54.891 54.840 -0.089 0.000 1.027 450 L CB -0.575 41.401 42.059 -0.137 0.000 1.427 450 L HN 0.588 nan 8.230 nan 0.000 0.600 451 H N -0.764 118.250 119.070 -0.093 0.000 2.713 451 H HA 0.389 4.945 4.556 -0.000 0.000 0.340 451 H C 0.305 175.563 175.328 -0.116 0.000 1.271 451 H CA -0.842 55.137 56.048 -0.115 0.000 1.306 451 H CB 2.357 32.042 29.762 -0.129 0.000 1.839 451 H HN -0.150 nan 8.280 nan 0.000 0.627 452 K N 0.483 120.867 120.400 -0.027 0.000 2.076 452 K HA -0.057 4.262 4.320 -0.000 0.000 0.204 452 K C 1.733 178.287 176.600 -0.077 0.000 1.051 452 K CA 1.137 57.376 56.287 -0.079 0.000 0.949 452 K CB 0.094 32.516 32.500 -0.130 0.000 0.726 452 K HN 0.441 nan 8.250 nan 0.000 0.443 453 M N 0.508 120.041 119.600 -0.111 0.000 2.446 453 M HA -0.088 4.392 4.480 -0.000 0.000 0.263 453 M C 1.668 177.840 176.300 -0.213 0.000 1.066 453 M CA 1.120 56.313 55.300 -0.179 0.000 1.087 453 M CB -0.012 32.454 32.600 -0.224 0.000 1.406 453 M HN -0.133 nan 8.290 nan 0.000 0.459 454 S N -0.067 115.603 115.700 -0.050 0.000 2.595 454 S HA 0.126 4.596 4.470 -0.000 0.000 0.235 454 S C 0.598 175.226 174.600 0.047 0.000 0.974 454 S CA 0.735 58.915 58.200 -0.034 0.000 0.942 454 S CB -0.246 62.954 63.200 0.000 0.000 0.766 454 S HN 0.425 nan 8.310 nan 0.000 0.536 455 M N 1.053 120.648 119.600 -0.007 0.000 2.224 455 M HA 0.473 4.952 4.480 -0.000 0.000 0.281 455 M C -1.181 175.127 176.300 0.014 0.000 1.025 455 M CA 0.168 55.520 55.300 0.088 0.000 0.954 455 M CB 2.031 34.667 32.600 0.060 0.000 1.639 455 M HN 0.071 nan 8.290 nan 0.000 0.461 456 M N 1.545 121.194 119.600 0.082 0.000 2.618 456 M HA 0.753 5.233 4.480 -0.000 0.000 0.281 456 M C -0.707 175.493 176.300 -0.168 0.000 1.267 456 M CA -0.816 54.432 55.300 -0.088 0.000 0.845 456 M CB 2.673 35.158 32.600 -0.190 0.000 1.732 456 M HN 0.715 nan 8.290 nan 0.000 0.461 457 A N 1.124 123.811 122.820 -0.222 0.000 2.289 457 A HA 0.681 5.001 4.320 -0.000 0.000 0.298 457 A C -1.065 176.331 177.584 -0.315 0.000 1.208 457 A CA -0.381 51.546 52.037 -0.183 0.000 0.845 457 A CB 0.164 19.113 19.000 -0.085 0.000 1.125 457 A HN 0.793 nan 8.150 nan 0.000 0.517 458 H N 1.198 120.269 119.070 0.001 0.000 2.771 458 H HA 0.443 4.999 4.556 -0.000 0.000 0.367 458 H C -0.527 174.763 175.328 -0.064 0.000 1.172 458 H CA -0.675 55.341 56.048 -0.054 0.000 1.186 458 H CB 1.434 31.106 29.762 -0.151 0.000 1.790 458 H HN 0.688 nan 8.280 nan 0.000 0.556 459 R N 0.750 121.298 120.500 0.079 0.000 2.221 459 R HA 0.309 4.649 4.340 -0.000 0.000 0.327 459 R C -0.298 175.994 176.300 -0.013 0.000 1.033 459 R CA -0.652 55.458 56.100 0.016 0.000 0.887 459 R CB 1.162 31.464 30.300 0.004 0.000 1.057 459 R HN 0.173 nan 8.270 nan 0.000 0.455 460 V N 3.861 123.767 119.914 -0.013 0.000 2.673 460 V HA 0.005 4.125 4.120 -0.000 0.000 0.303 460 V C 0.336 176.418 176.094 -0.019 0.000 1.046 460 V CA 0.680 62.968 62.300 -0.020 0.000 1.126 460 V CB 0.831 32.661 31.823 0.012 0.000 0.934 460 V HN 0.541 nan 8.190 nan 0.000 0.487 461 K N 4.965 125.345 120.400 -0.033 0.000 2.705 461 K HA 0.287 4.607 4.320 -0.000 0.000 0.238 461 K C -0.901 175.679 176.600 -0.034 0.000 0.996 461 K CA -0.510 55.758 56.287 -0.030 0.000 1.007 461 K CB 1.488 33.960 32.500 -0.047 0.000 1.206 461 K HN 0.507 nan 8.250 nan 0.000 0.488 462 V N 3.692 123.588 119.914 -0.029 0.000 2.599 462 V HA 0.347 4.467 4.120 -0.000 0.000 0.300 462 V C 0.706 176.742 176.094 -0.097 0.000 1.034 462 V CA -0.259 61.988 62.300 -0.088 0.000 1.115 462 V CB -0.501 31.217 31.823 -0.174 0.000 0.934 462 V HN 0.559 nan 8.190 nan 0.000 0.485 463 I N 1.533 122.040 120.570 -0.105 0.000 3.095 463 I HA 0.774 4.944 4.170 -0.000 0.000 0.310 463 I C -2.664 173.390 176.117 -0.105 0.000 1.196 463 I CA -2.532 58.721 61.300 -0.079 0.000 0.985 463 I CB 2.338 40.321 38.000 -0.028 0.000 1.250 463 I HN 0.420 nan 8.210 nan 0.000 0.446 464 P HA 0.262 nan 4.420 nan 0.000 0.297 464 P C -1.110 176.116 177.300 -0.124 0.000 1.303 464 P CA 0.152 63.111 63.100 -0.235 0.000 0.753 464 P CB 0.280 31.741 31.700 -0.400 0.000 1.281 465 Y N -3.272 116.975 120.300 -0.088 0.000 2.509 465 Y HA -0.204 4.346 4.550 -0.000 0.000 0.025 465 Y C 1.003 176.834 175.900 -0.114 0.000 1.704 465 Y CA 0.429 58.475 58.100 -0.090 0.000 1.417 465 Y CB -2.023 36.388 38.460 -0.081 0.000 2.062 465 Y HN 0.207 nan 8.280 nan 0.000 0.254 466 S N 1.050 116.781 115.700 0.052 0.000 2.994 466 S HA 0.314 4.784 4.470 -0.000 0.000 0.247 466 S C -0.014 174.509 174.600 -0.129 0.000 1.323 466 S CA 0.259 58.419 58.200 -0.067 0.000 1.246 466 S CB -0.590 62.571 63.200 -0.064 0.000 0.994 466 S HN 0.650 nan 8.310 nan 0.000 0.484 467 T N -1.747 112.731 114.554 -0.127 0.000 2.900 467 T HA 0.596 4.945 4.350 -0.000 0.000 0.303 467 T C -0.599 174.025 174.700 -0.126 0.000 1.142 467 T CA -0.794 61.210 62.100 -0.161 0.000 1.007 467 T CB 0.661 69.479 68.868 -0.082 0.000 1.156 467 T HN 0.148 nan 8.240 nan 0.000 0.490 468 F N 2.086 122.040 119.950 0.007 0.000 2.434 468 F HA 0.338 4.865 4.527 -0.000 0.000 0.358 468 F C 1.381 177.149 175.800 -0.053 0.000 1.136 468 F CA -0.955 57.044 58.000 -0.001 0.000 1.157 468 F CB 0.610 39.723 39.000 0.188 0.000 1.167 468 F HN 0.207 nan 8.300 nan 0.000 0.539 469 R N 6.102 126.642 120.500 0.066 0.000 2.230 469 R HA 0.374 4.714 4.340 -0.000 0.000 0.337 469 R C -0.743 175.499 176.300 -0.096 0.000 1.063 469 R CA -0.682 55.391 56.100 -0.046 0.000 0.935 469 R CB 0.624 30.884 30.300 -0.067 0.000 1.121 469 R HN 0.576 nan 8.270 nan 0.000 0.486 470 L N -0.320 120.864 121.223 -0.066 0.000 2.344 470 L HA 0.528 4.868 4.340 -0.000 0.000 0.272 470 L C 0.261 177.128 176.870 -0.005 0.000 1.035 470 L CA -1.087 53.687 54.840 -0.111 0.000 0.807 470 L CB 0.899 42.935 42.059 -0.038 0.000 1.237 470 L HN 0.290 nan 8.230 nan 0.000 0.442 471 N N 1.284 119.970 118.700 -0.024 0.000 2.453 471 N HA 0.080 4.820 4.740 -0.000 0.000 0.253 471 N C 0.593 176.187 175.510 0.140 0.000 1.252 471 N CA 0.124 53.204 53.050 0.050 0.000 0.917 471 N CB 1.052 39.557 38.487 0.030 0.000 1.117 471 N HN 0.924 nan 8.380 nan 0.000 0.442 472 L N 1.677 123.002 121.223 0.171 0.000 1.988 472 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 472 L C 2.333 179.312 176.870 0.181 0.000 1.071 472 L CA 1.044 56.014 54.840 0.216 0.000 0.744 472 L CB -0.471 41.715 42.059 0.211 0.000 0.893 472 L HN 0.571 nan 8.230 nan 0.000 0.433 473 S N -0.982 114.824 115.700 0.176 0.000 2.420 473 S HA -0.191 4.279 4.470 -0.000 0.000 0.237 473 S C 1.484 176.136 174.600 0.086 0.000 1.023 473 S CA 1.155 59.459 58.200 0.172 0.000 0.991 473 S CB -0.292 63.076 63.200 0.280 0.000 0.792 473 S HN 0.294 nan 8.310 nan 0.000 0.488 474 V N 1.665 121.634 119.914 0.092 0.000 3.490 474 V HA 0.051 4.171 4.120 -0.000 0.000 0.315 474 V C 1.768 178.037 176.094 0.290 0.000 1.284 474 V CA 0.919 63.313 62.300 0.157 0.000 1.233 474 V CB -0.703 31.274 31.823 0.256 0.000 1.101 474 V HN 0.511 nan 8.190 nan 0.000 0.425 475 T N 0.220 114.891 114.554 0.196 0.000 2.706 475 T HA -0.129 4.220 4.350 -0.000 0.000 0.255 475 T C 2.122 176.903 174.700 0.133 0.000 1.048 475 T CA 1.950 64.147 62.100 0.161 0.000 1.153 475 T CB -0.176 68.722 68.868 0.049 0.000 0.865 475 T HN 0.777 nan 8.240 nan 0.000 0.414 476 S N 1.664 117.412 115.700 0.080 0.000 2.465 476 S HA -0.013 4.456 4.470 -0.000 0.000 0.241 476 S C -0.884 173.750 174.600 0.058 0.000 1.000 476 S CA 0.723 58.957 58.200 0.056 0.000 0.964 476 S CB -1.508 61.720 63.200 0.047 0.000 0.763 476 S HN 0.485 nan 8.310 nan 0.000 0.512 477 P HA 0.065 nan 4.420 nan 0.000 0.220 477 P C 0.700 177.956 177.300 -0.073 0.000 1.152 477 P CA 0.810 63.888 63.100 -0.038 0.000 0.812 477 P CB -0.115 31.478 31.700 -0.178 0.000 0.792 478 Y N -1.759 118.571 120.300 0.050 0.000 2.448 478 Y HA 0.104 4.654 4.550 -0.000 0.000 0.289 478 Y C 1.113 176.988 175.900 -0.040 0.000 1.114 478 Y CA 0.418 58.523 58.100 0.008 0.000 1.235 478 Y CB -0.214 38.252 38.460 0.010 0.000 1.045 478 Y HN -0.056 nan 8.280 nan 0.000 0.554 479 N N -0.179 118.582 118.700 0.101 0.000 2.861 479 N HA -0.153 4.587 4.740 -0.000 0.000 0.247 479 N C -0.865 174.641 175.510 -0.006 0.000 1.117 479 N CA 0.548 53.606 53.050 0.014 0.000 0.703 479 N CB -1.127 37.336 38.487 -0.041 0.000 1.052 479 N HN 0.302 nan 8.380 nan 0.000 0.555 480 A N 0.395 123.213 122.820 -0.004 0.000 2.330 480 A HA 0.702 5.022 4.320 -0.000 0.000 0.329 480 A C -0.085 177.357 177.584 -0.237 0.000 1.135 480 A CA 0.014 52.001 52.037 -0.084 0.000 0.817 480 A CB 1.136 20.103 19.000 -0.056 0.000 1.269 480 A HN 0.517 nan 8.150 nan 0.000 0.469 481 D N -1.414 118.816 120.400 -0.284 0.000 2.687 481 D HA 0.557 5.196 4.640 -0.000 0.000 0.264 481 D C -0.526 175.508 176.300 -0.444 0.000 1.091 481 D CA -0.482 53.243 54.000 -0.458 0.000 1.123 481 D CB 0.528 41.203 40.800 -0.207 0.000 1.407 481 D HN 0.279 nan 8.370 nan 0.000 0.591 482 F N -0.755 119.209 119.950 0.023 0.000 2.661 482 F HA 0.139 4.665 4.527 -0.000 0.000 0.306 482 F C 0.741 176.547 175.800 0.010 0.000 1.094 482 F CA -0.761 57.250 58.000 0.019 0.000 1.254 482 F CB 0.371 39.383 39.000 0.021 0.000 1.040 482 F HN 0.243 nan 8.300 nan 0.000 0.562 483 D N 0.598 121.070 120.400 0.120 0.000 2.813 483 D HA 0.105 4.745 4.640 -0.000 0.000 0.248 483 D C 1.434 177.770 176.300 0.060 0.000 1.254 483 D CA 0.565 54.609 54.000 0.074 0.000 0.921 483 D CB -0.461 40.358 40.800 0.031 0.000 1.118 483 D HN 0.398 nan 8.370 nan 0.000 0.450 484 G N 0.200 109.050 108.800 0.083 0.000 2.130 484 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 484 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 484 G C -0.504 174.429 174.900 0.054 0.000 0.999 484 G CA -0.312 44.822 45.100 0.056 0.000 0.686 484 G HN 0.450 nan 8.290 nan 0.000 0.515 485 D N 0.987 121.433 120.400 0.078 0.000 2.350 485 D HA 0.500 5.139 4.640 -0.000 0.000 0.249 485 D C 0.700 177.046 176.300 0.076 0.000 1.119 485 D CA 0.372 54.407 54.000 0.058 0.000 0.886 485 D CB 0.888 41.715 40.800 0.045 0.000 1.195 485 D HN 0.514 nan 8.370 nan 0.000 0.437 486 E N 1.357 121.583 120.200 0.044 0.000 2.222 486 E HA 0.594 4.944 4.350 -0.000 0.000 0.267 486 E C -0.187 176.418 176.600 0.010 0.000 0.963 486 E CA -0.723 55.711 56.400 0.056 0.000 0.837 486 E CB 1.880 31.603 29.700 0.038 0.000 1.183 486 E HN 0.283 nan 8.360 nan 0.000 0.403 487 M N 1.193 120.815 119.600 0.037 0.000 2.618 487 M HA 0.377 4.857 4.480 -0.000 0.000 0.281 487 M C -1.252 174.940 176.300 -0.181 0.000 1.267 487 M CA -1.028 54.143 55.300 -0.215 0.000 0.845 487 M CB 2.231 34.475 32.600 -0.592 0.000 1.732 487 M HN 0.360 nan 8.290 nan 0.000 0.461 488 N N 1.549 120.001 118.700 -0.412 0.000 2.405 488 N HA 0.706 5.446 4.740 -0.000 0.000 0.299 488 N C -1.655 173.596 175.510 -0.432 0.000 1.075 488 N CA -0.480 52.372 53.050 -0.330 0.000 0.884 488 N CB 1.968 40.269 38.487 -0.310 0.000 1.194 488 N HN 0.448 nan 8.380 nan 0.000 0.491 489 L N 2.359 123.409 121.223 -0.289 0.000 2.381 489 L HA 0.434 4.774 4.340 -0.000 0.000 0.274 489 L C -1.261 175.496 176.870 -0.188 0.000 0.988 489 L CA -0.453 54.303 54.840 -0.141 0.000 0.824 489 L CB 0.980 42.991 42.059 -0.080 0.000 1.263 489 L HN 0.504 nan 8.230 nan 0.000 0.410 490 H N 4.285 123.430 119.070 0.124 0.000 2.505 490 H HA 0.507 5.062 4.556 -0.000 0.000 0.338 490 H C -0.971 174.445 175.328 0.148 0.000 1.057 490 H CA -0.582 55.545 56.048 0.132 0.000 1.202 490 H CB 2.197 32.017 29.762 0.097 0.000 1.466 490 H HN 0.360 nan 8.280 nan 0.000 0.499 491 V N 6.834 126.943 119.914 0.324 0.000 2.383 491 V HA 0.151 4.271 4.120 -0.000 0.000 0.275 491 V C -1.560 174.683 176.094 0.250 0.000 1.036 491 V CA -1.368 61.105 62.300 0.290 0.000 0.889 491 V CB 1.252 33.297 31.823 0.370 0.000 0.985 491 V HN 0.658 nan 8.190 nan 0.000 0.459 492 P HA 0.034 nan 4.420 nan 0.000 0.273 492 P C -0.418 176.982 177.300 0.166 0.000 1.258 492 P CA 0.217 63.405 63.100 0.147 0.000 0.802 492 P CB 1.365 33.151 31.700 0.143 0.000 1.040 493 Q N -1.451 118.396 119.800 0.078 0.000 2.427 493 Q HA 0.154 4.494 4.340 -0.000 0.000 0.249 493 Q C 0.446 176.374 176.000 -0.120 0.000 0.783 493 Q CA 0.301 56.050 55.803 -0.089 0.000 0.978 493 Q CB 0.148 28.715 28.738 -0.286 0.000 1.273 493 Q HN 0.482 nan 8.270 nan 0.000 0.524 494 S N -0.173 115.518 115.700 -0.014 0.000 2.509 494 S HA 0.275 4.744 4.470 -0.000 0.000 0.297 494 S C 0.691 175.354 174.600 0.105 0.000 1.118 494 S CA -0.308 57.892 58.200 -0.001 0.000 1.074 494 S CB 1.359 64.542 63.200 -0.030 0.000 1.038 494 S HN 0.242 nan 8.310 nan 0.000 0.498 495 E N 2.647 122.926 120.200 0.132 0.000 2.253 495 E HA -0.247 4.103 4.350 -0.000 0.000 0.202 495 E C 1.571 178.222 176.600 0.086 0.000 1.014 495 E CA 2.497 58.983 56.400 0.145 0.000 0.823 495 E CB -0.059 29.712 29.700 0.119 0.000 0.736 495 E HN 0.872 nan 8.360 nan 0.000 0.478 496 E N -1.898 118.336 120.200 0.058 0.000 2.170 496 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 496 E C 1.941 178.560 176.600 0.032 0.000 0.981 496 E CA 1.186 57.609 56.400 0.039 0.000 0.830 496 E CB -0.378 29.336 29.700 0.025 0.000 0.775 496 E HN 0.030 nan 8.360 nan 0.000 0.470 497 T N 1.633 116.207 114.554 0.034 0.000 2.622 497 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 497 T C 1.803 176.526 174.700 0.038 0.000 1.047 497 T CA 2.034 64.150 62.100 0.027 0.000 1.159 497 T CB -0.268 68.618 68.868 0.029 0.000 0.863 497 T HN 0.252 nan 8.240 nan 0.000 0.422 498 R N 1.671 122.209 120.500 0.064 0.000 2.136 498 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 498 R C 2.754 179.068 176.300 0.023 0.000 1.131 498 R CA 1.587 57.714 56.100 0.046 0.000 0.937 498 R CB -1.131 29.193 30.300 0.039 0.000 0.863 498 R HN 0.399 nan 8.270 nan 0.000 0.435 499 A N 1.826 124.661 122.820 0.026 0.000 1.894 499 A HA -0.318 4.001 4.320 -0.000 0.000 0.220 499 A C 2.113 179.701 177.584 0.007 0.000 1.237 499 A CA 2.230 54.277 52.037 0.017 0.000 0.660 499 A CB -0.830 18.185 19.000 0.025 0.000 0.835 499 A HN 0.522 nan 8.150 nan 0.000 0.461 500 E N -0.851 119.353 120.200 0.007 0.000 2.219 500 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 500 E C 1.951 178.544 176.600 -0.013 0.000 0.998 500 E CA 1.211 57.608 56.400 -0.005 0.000 0.818 500 E CB -0.248 29.446 29.700 -0.010 0.000 0.741 500 E HN 0.699 nan 8.360 nan 0.000 0.477 501 L N 0.118 121.338 121.223 -0.006 0.000 2.084 501 L HA -0.119 4.221 4.340 -0.000 0.000 0.202 501 L C 2.703 179.560 176.870 -0.023 0.000 1.074 501 L CA 1.142 55.975 54.840 -0.011 0.000 0.757 501 L CB -0.392 41.670 42.059 0.005 0.000 0.918 501 L HN 0.131 nan 8.230 nan 0.000 0.444 502 S N -0.965 114.725 115.700 -0.016 0.000 2.399 502 S HA -0.183 4.287 4.470 -0.000 0.000 0.231 502 S C 1.837 176.423 174.600 -0.023 0.000 1.022 502 S CA 0.815 59.003 58.200 -0.020 0.000 0.983 502 S CB -0.246 62.946 63.200 -0.013 0.000 0.803 502 S HN 0.375 nan 8.310 nan 0.000 0.480 503 Q N 0.147 119.935 119.800 -0.020 0.000 2.402 503 Q HA 0.353 4.693 4.340 -0.000 0.000 0.206 503 Q C 1.097 177.075 176.000 -0.038 0.000 0.919 503 Q CA 0.549 56.337 55.803 -0.024 0.000 0.923 503 Q CB 0.047 28.776 28.738 -0.014 0.000 1.048 503 Q HN 0.567 nan 8.270 nan 0.000 0.515 504 L N -2.706 118.492 121.223 -0.043 0.000 3.076 504 L HA 0.162 4.502 4.340 -0.000 0.000 0.271 504 L C 1.361 178.192 176.870 -0.064 0.000 1.152 504 L CA 0.338 55.143 54.840 -0.058 0.000 0.996 504 L CB 0.201 42.224 42.059 -0.059 0.000 1.453 504 L HN -0.030 nan 8.230 nan 0.000 0.571 505 C N 0.400 119.664 119.300 -0.059 0.000 2.912 505 C HA 0.613 5.073 4.460 -0.000 0.000 0.274 505 C C 1.584 176.519 174.990 -0.093 0.000 1.248 505 C CA -0.720 58.255 59.018 -0.071 0.000 1.694 505 C CB -0.601 27.107 27.740 -0.054 0.000 2.024 505 C HN 0.397 nan 8.230 nan 0.000 0.605 506 A N 1.089 123.862 122.820 -0.079 0.000 2.587 506 A HA 0.228 4.548 4.320 -0.000 0.000 0.233 506 A C 1.427 178.947 177.584 -0.107 0.000 1.049 506 A CA 0.461 52.446 52.037 -0.087 0.000 0.754 506 A CB 0.299 19.267 19.000 -0.054 0.000 0.977 506 A HN 0.285 nan 8.150 nan 0.000 0.509 507 V N 3.608 123.446 119.914 -0.127 0.000 2.332 507 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 507 V C -0.335 175.702 176.094 -0.094 0.000 1.055 507 V CA 2.557 64.788 62.300 -0.115 0.000 1.038 507 V CB -1.596 30.197 31.823 -0.051 0.000 0.651 507 V HN 0.811 nan 8.190 nan 0.000 0.450 508 P HA -0.172 nan 4.420 nan 0.000 0.216 508 P C 1.831 179.103 177.300 -0.046 0.000 1.150 508 P CA 1.488 64.558 63.100 -0.051 0.000 0.843 508 P CB -0.087 31.600 31.700 -0.022 0.000 0.787 509 L N -1.221 119.969 121.223 -0.055 0.000 2.141 509 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 509 L C 2.172 178.997 176.870 -0.075 0.000 1.094 509 L CA 1.121 55.927 54.840 -0.056 0.000 0.763 509 L CB -0.800 41.223 42.059 -0.060 0.000 0.908 509 L HN -0.029 nan 8.230 nan 0.000 0.437 510 Q N -0.206 119.536 119.800 -0.096 0.000 2.444 510 Q HA 0.047 4.387 4.340 -0.000 0.000 0.206 510 Q C 2.181 178.115 176.000 -0.109 0.000 0.948 510 Q CA 0.573 56.305 55.803 -0.118 0.000 0.946 510 Q CB 0.039 28.687 28.738 -0.150 0.000 1.027 510 Q HN 0.573 nan 8.270 nan 0.000 0.513 511 I N -0.061 120.462 120.570 -0.079 0.000 2.143 511 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 511 I C 0.773 176.874 176.117 -0.027 0.000 1.068 511 I CA 1.087 62.362 61.300 -0.042 0.000 1.326 511 I CB -0.095 37.914 38.000 0.016 0.000 1.028 511 I HN -0.086 nan 8.210 nan 0.000 0.412 512 V N 1.425 121.318 119.914 -0.035 0.000 2.333 512 V HA 0.132 4.252 4.120 -0.000 0.000 0.274 512 V C 0.174 176.210 176.094 -0.096 0.000 1.028 512 V CA -0.181 62.091 62.300 -0.047 0.000 0.851 512 V CB 1.295 33.114 31.823 -0.006 0.000 1.000 512 V HN 0.231 nan 8.190 nan 0.000 0.456 513 S N 8.235 123.864 115.700 -0.118 0.000 2.475 513 S HA 0.412 4.881 4.470 -0.000 0.000 0.281 513 S C -1.000 173.533 174.600 -0.112 0.000 1.198 513 S CA -1.383 56.730 58.200 -0.144 0.000 1.063 513 S CB 1.441 64.522 63.200 -0.198 0.000 0.972 513 S HN 0.646 nan 8.310 nan 0.000 0.486 514 P HA -0.128 nan 4.420 nan 0.000 0.226 514 P C 0.687 178.049 177.300 0.103 0.000 1.153 514 P CA 0.714 63.821 63.100 0.011 0.000 0.777 514 P CB -0.120 31.606 31.700 0.044 0.000 0.794 515 Q N 0.935 120.717 119.800 -0.030 0.000 2.452 515 Q HA 0.066 4.406 4.340 -0.000 0.000 0.214 515 Q C 0.465 176.420 176.000 -0.075 0.000 0.966 515 Q CA 0.724 56.495 55.803 -0.053 0.000 0.964 515 Q CB -0.603 27.997 28.738 -0.229 0.000 0.992 515 Q HN 0.206 nan 8.270 nan 0.000 0.517 516 S N -1.155 114.471 115.700 -0.124 0.000 4.290 516 S HA -0.032 4.438 4.470 -0.000 0.000 0.079 516 S C -0.326 174.144 174.600 -0.217 0.000 0.853 516 S CA -0.291 57.719 58.200 -0.316 0.000 0.917 516 S CB -1.840 61.211 63.200 -0.248 0.000 0.771 516 S HN 0.605 nan 8.310 nan 0.000 0.755 517 N N 1.832 120.463 118.700 -0.115 0.000 2.675 517 N HA -0.291 4.449 4.740 -0.000 0.000 0.252 517 N C -0.406 175.052 175.510 -0.087 0.000 1.008 517 N CA 2.039 55.061 53.050 -0.046 0.000 0.779 517 N CB -1.714 36.790 38.487 0.028 0.000 0.954 517 N HN 1.074 nan 8.380 nan 0.000 0.541 518 K N -2.168 118.133 120.400 -0.166 0.000 2.527 518 K HA 0.529 4.848 4.320 -0.000 0.000 0.260 518 K C -3.188 173.269 176.600 -0.239 0.000 0.937 518 K CA -2.076 54.018 56.287 -0.322 0.000 0.826 518 K CB 2.611 34.988 32.500 -0.205 0.000 1.359 518 K HN -0.148 nan 8.250 nan 0.000 0.434 519 P HA -0.096 nan 4.420 nan 0.000 0.267 519 P C 0.587 177.852 177.300 -0.058 0.000 1.195 519 P CA -0.167 62.883 63.100 -0.083 0.000 0.773 519 P CB 0.366 32.066 31.700 -0.000 0.000 0.837 520 C N 0.472 119.749 119.300 -0.038 0.000 3.243 520 C HA 0.545 5.005 4.460 -0.000 0.000 0.286 520 C C 0.416 175.405 174.990 -0.001 0.000 1.373 520 C CA -0.516 58.477 59.018 -0.043 0.000 1.749 520 C CB -1.189 26.485 27.740 -0.110 0.000 2.313 520 C HN 0.387 nan 8.230 nan 0.000 0.644 521 M N 1.192 120.824 119.600 0.053 0.000 2.393 521 M HA 0.646 5.126 4.480 -0.000 0.000 0.299 521 M C 0.292 176.761 176.300 0.282 0.000 1.103 521 M CA 0.201 55.561 55.300 0.099 0.000 0.910 521 M CB 2.279 34.853 32.600 -0.043 0.000 1.659 521 M HN 0.350 nan 8.290 nan 0.000 0.445 522 G N 2.558 111.531 108.800 0.289 0.000 3.291 522 G HA2 0.829 4.789 3.960 -0.000 0.000 0.173 522 G HA3 0.829 4.789 3.960 -0.000 0.000 0.173 522 G C -1.107 173.970 174.900 0.296 0.000 1.099 522 G CA -0.550 44.715 45.100 0.276 0.000 0.794 522 G HN 0.592 nan 8.290 nan 0.000 0.651 523 I N 1.199 121.845 120.570 0.127 0.000 2.447 523 I HA 0.440 4.610 4.170 -0.000 0.000 0.287 523 I C -0.437 175.730 176.117 0.083 0.000 1.023 523 I CA -0.642 60.720 61.300 0.103 0.000 1.083 523 I CB 1.835 39.839 38.000 0.007 0.000 1.245 523 I HN 0.154 nan 8.210 nan 0.000 0.434 524 V N 4.189 124.163 119.914 0.100 0.000 3.229 524 V HA 0.538 4.658 4.120 -0.000 0.000 0.310 524 V C 0.360 176.501 176.094 0.077 0.000 1.206 524 V CA -0.651 61.697 62.300 0.079 0.000 1.051 524 V CB 1.208 33.079 31.823 0.081 0.000 1.183 524 V HN 0.860 nan 8.190 nan 0.000 0.466 525 Q N -0.013 119.830 119.800 0.073 0.000 2.046 525 Q HA -0.348 3.992 4.340 -0.000 0.000 0.437 525 Q C 1.180 177.222 176.000 0.070 0.000 0.778 525 Q CA 2.153 58.005 55.803 0.082 0.000 0.836 525 Q CB -1.651 27.149 28.738 0.104 0.000 3.591 525 Q HN 0.955 nan 8.270 nan 0.000 0.849 526 D N 0.443 120.897 120.400 0.090 0.000 2.137 526 D HA -0.139 4.501 4.640 -0.000 0.000 0.189 526 D C 2.014 178.349 176.300 0.059 0.000 0.998 526 D CA 2.636 56.685 54.000 0.082 0.000 0.839 526 D CB -0.717 40.147 40.800 0.106 0.000 0.962 526 D HN 0.621 nan 8.370 nan 0.000 0.446 527 T N 0.874 115.474 114.554 0.076 0.000 2.685 527 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 527 T C 1.836 176.547 174.700 0.019 0.000 1.034 527 T CA 1.214 63.350 62.100 0.060 0.000 1.149 527 T CB -0.443 68.472 68.868 0.079 0.000 0.860 527 T HN 0.046 nan 8.240 nan 0.000 0.449 528 L N 0.960 122.194 121.223 0.018 0.000 1.973 528 L HA 0.052 4.392 4.340 -0.000 0.000 0.208 528 L C 2.757 179.603 176.870 -0.040 0.000 1.073 528 L CA 1.412 56.246 54.840 -0.010 0.000 0.746 528 L CB -1.493 40.571 42.059 0.008 0.000 0.891 528 L HN 0.416 nan 8.230 nan 0.000 0.433 529 C N 0.444 119.716 119.300 -0.047 0.000 2.363 529 C HA -0.228 4.231 4.460 -0.000 0.000 0.274 529 C C 2.847 177.748 174.990 -0.149 0.000 1.183 529 C CA 1.395 60.338 59.018 -0.125 0.000 1.771 529 C CB -1.698 25.945 27.740 -0.162 0.000 2.059 529 C HN 0.771 nan 8.230 nan 0.000 0.455 530 G N -0.466 108.288 108.800 -0.077 0.000 2.421 530 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 530 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 530 G C 1.592 176.443 174.900 -0.081 0.000 1.171 530 G CA 0.891 45.998 45.100 0.012 0.000 0.775 530 G HN 0.666 nan 8.290 nan 0.000 0.543 531 I N 0.357 120.866 120.570 -0.102 0.000 2.657 531 I HA -0.119 4.051 4.170 -0.000 0.000 0.261 531 I C 2.704 178.709 176.117 -0.186 0.000 1.212 531 I CA 1.089 62.290 61.300 -0.165 0.000 1.453 531 I CB -0.038 37.891 38.000 -0.118 0.000 1.092 531 I HN 0.210 nan 8.210 nan 0.000 0.452 532 R N 0.915 121.329 120.500 -0.143 0.000 2.052 532 R HA -0.125 4.215 4.340 -0.000 0.000 0.226 532 R C 2.245 178.460 176.300 -0.142 0.000 1.145 532 R CA 1.009 57.035 56.100 -0.123 0.000 0.952 532 R CB -0.150 30.098 30.300 -0.088 0.000 0.847 532 R HN 0.216 nan 8.270 nan 0.000 0.431 533 K N 0.836 121.163 120.400 -0.122 0.000 1.987 533 K HA -0.215 4.105 4.320 -0.000 0.000 0.216 533 K C 2.190 178.642 176.600 -0.247 0.000 1.051 533 K CA 1.741 57.995 56.287 -0.054 0.000 0.942 533 K CB -0.660 31.934 32.500 0.156 0.000 0.722 533 K HN 0.155 nan 8.250 nan 0.000 0.444 534 L N 1.853 122.648 121.223 -0.713 0.000 2.064 534 L HA -0.268 4.072 4.340 -0.000 0.000 0.216 534 L C 2.139 178.671 176.870 -0.563 0.000 1.077 534 L CA 2.030 56.166 54.840 -1.173 0.000 0.766 534 L CB -0.899 40.372 42.059 -1.313 0.000 0.890 534 L HN 0.199 nan 8.230 nan 0.000 0.435 535 T N 0.199 114.533 114.554 -0.367 0.000 2.545 535 T HA -0.130 4.220 4.350 -0.000 0.000 0.261 535 T C 0.859 175.447 174.700 -0.186 0.000 1.097 535 T CA 0.858 62.812 62.100 -0.242 0.000 1.189 535 T CB -0.535 68.228 68.868 -0.174 0.000 0.863 535 T HN 0.294 nan 8.240 nan 0.000 0.405 536 L N 2.116 123.264 121.223 -0.124 0.000 4.090 536 L HA -0.254 4.085 4.340 -0.000 0.000 0.501 536 L C 1.719 178.542 176.870 -0.078 0.000 1.106 536 L CA 0.042 54.842 54.840 -0.066 0.000 0.621 536 L CB 0.049 42.097 42.059 -0.018 0.000 0.862 536 L HN 0.314 nan 8.230 nan 0.000 0.953 537 R N 2.090 122.563 120.500 -0.044 0.000 2.113 537 R HA -0.243 4.097 4.340 -0.000 0.000 0.244 537 R C 1.643 177.968 176.300 0.043 0.000 1.142 537 R CA 1.965 58.039 56.100 -0.042 0.000 0.953 537 R CB -0.323 29.997 30.300 0.033 0.000 0.860 537 R HN 0.727 nan 8.270 nan 0.000 0.438 538 D N 0.331 120.804 120.400 0.122 0.000 2.203 538 D HA -0.102 4.538 4.640 -0.000 0.000 0.199 538 D C -0.096 176.400 176.300 0.326 0.000 0.997 538 D CA 1.042 55.178 54.000 0.228 0.000 0.863 538 D CB -0.012 40.871 40.800 0.138 0.000 0.928 538 D HN 0.066 nan 8.370 nan 0.000 0.458 539 T N 0.577 115.215 114.554 0.141 0.000 2.737 539 T HA 0.307 4.657 4.350 -0.000 0.000 0.296 539 T C -0.461 174.234 174.700 -0.009 0.000 0.922 539 T CA -0.153 62.036 62.100 0.149 0.000 1.079 539 T CB 0.189 69.094 68.868 0.062 0.000 0.892 539 T HN -0.120 nan 8.240 nan 0.000 0.514 540 F N 2.620 122.636 119.950 0.111 0.000 2.532 540 F HA 0.639 5.166 4.527 -0.000 0.000 0.321 540 F C 0.110 176.019 175.800 0.181 0.000 1.089 540 F CA -1.376 56.696 58.000 0.120 0.000 0.926 540 F CB 1.390 40.438 39.000 0.081 0.000 1.168 540 F HN 0.332 nan 8.300 nan 0.000 0.459 541 I N 2.014 122.806 120.570 0.371 0.000 2.465 541 I HA 0.338 4.508 4.170 -0.000 0.000 0.291 541 I C -0.712 175.687 176.117 0.470 0.000 1.014 541 I CA -0.838 60.676 61.300 0.356 0.000 1.093 541 I CB 2.070 40.235 38.000 0.277 0.000 1.267 541 I HN 0.617 nan 8.210 nan 0.000 0.431 542 E N 5.716 126.134 120.200 0.364 0.000 2.231 542 E HA 0.226 4.576 4.350 -0.000 0.000 0.277 542 E C 0.807 177.601 176.600 0.323 0.000 0.999 542 E CA -0.749 55.902 56.400 0.418 0.000 0.827 542 E CB 2.155 32.007 29.700 0.253 0.000 1.101 542 E HN 0.523 nan 8.360 nan 0.000 0.393 543 L N 3.158 124.679 121.223 0.498 0.000 2.167 543 L HA -0.426 3.914 4.340 -0.000 0.000 0.241 543 L C 1.959 178.818 176.870 -0.018 0.000 1.123 543 L CA 3.160 58.079 54.840 0.132 0.000 0.849 543 L CB -0.971 41.264 42.059 0.294 0.000 0.947 543 L HN 0.996 nan 8.230 nan 0.000 0.449 544 D N -1.402 119.032 120.400 0.057 0.000 2.191 544 D HA -0.316 4.324 4.640 -0.000 0.000 0.195 544 D C 1.956 178.269 176.300 0.021 0.000 1.003 544 D CA 2.301 56.322 54.000 0.035 0.000 0.867 544 D CB -0.554 40.281 40.800 0.058 0.000 0.926 544 D HN 0.805 nan 8.370 nan 0.000 0.450 545 Q N -0.282 119.534 119.800 0.027 0.000 2.304 545 Q HA 0.048 4.388 4.340 -0.000 0.000 0.204 545 Q C 2.373 178.359 176.000 -0.024 0.000 0.936 545 Q CA 0.218 56.046 55.803 0.042 0.000 0.878 545 Q CB 0.363 29.133 28.738 0.054 0.000 0.983 545 Q HN 0.144 nan 8.270 nan 0.000 0.516 546 V N 1.640 121.478 119.914 -0.127 0.000 2.453 546 V HA -0.294 3.826 4.120 -0.000 0.000 0.252 546 V C 2.249 178.103 176.094 -0.400 0.000 1.068 546 V CA 1.433 63.535 62.300 -0.331 0.000 1.070 546 V CB -0.453 30.913 31.823 -0.761 0.000 0.664 546 V HN 0.410 nan 8.190 nan 0.000 0.461 547 L N -0.370 120.660 121.223 -0.322 0.000 2.109 547 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 547 L C 2.453 179.193 176.870 -0.217 0.000 1.086 547 L CA 1.270 55.930 54.840 -0.300 0.000 0.760 547 L CB -0.627 41.323 42.059 -0.182 0.000 0.910 547 L HN 0.393 nan 8.230 nan 0.000 0.437 548 N N 0.114 118.752 118.700 -0.104 0.000 2.106 548 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 548 N C 1.900 177.293 175.510 -0.196 0.000 1.029 548 N CA 1.348 54.358 53.050 -0.066 0.000 0.848 548 N CB -0.161 38.355 38.487 0.049 0.000 1.007 548 N HN 0.278 nan 8.380 nan 0.000 0.423 549 M N 0.500 120.008 119.600 -0.155 0.000 2.149 549 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 549 M C 1.951 178.115 176.300 -0.227 0.000 1.064 549 M CA 1.122 56.317 55.300 -0.175 0.000 1.102 549 M CB -0.219 32.352 32.600 -0.049 0.000 1.369 549 M HN 0.108 nan 8.290 nan 0.000 0.408 550 L N -1.516 119.472 121.223 -0.391 0.000 1.970 550 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 550 L C 2.579 179.220 176.870 -0.381 0.000 1.071 550 L CA 1.643 56.063 54.840 -0.700 0.000 0.751 550 L CB -1.248 39.970 42.059 -1.402 0.000 0.889 550 L HN 0.240 nan 8.230 nan 0.000 0.432 551 Y N 0.004 120.096 120.300 -0.346 0.000 2.132 551 Y HA -0.312 4.238 4.550 -0.000 0.000 0.280 551 Y C 2.274 178.202 175.900 0.048 0.000 1.193 551 Y CA 1.391 59.468 58.100 -0.039 0.000 1.157 551 Y CB -0.724 37.743 38.460 0.012 0.000 0.966 551 Y HN 0.113 nan 8.280 nan 0.000 0.511 552 W N -0.206 120.920 121.300 -0.290 0.000 2.374 552 W HA -0.059 4.601 4.660 -0.000 0.000 0.288 552 W C 0.796 177.181 176.519 -0.224 0.000 1.218 552 W CA 1.390 58.527 57.345 -0.346 0.000 1.245 552 W CB -0.921 28.308 29.460 -0.385 0.000 1.126 552 W HN -0.332 nan 8.180 nan 0.000 0.545 553 V N 4.781 124.728 119.914 0.055 0.000 2.377 553 V HA -0.047 4.073 4.120 -0.000 0.000 0.254 553 V C -0.739 175.381 176.094 0.043 0.000 1.060 553 V CA -0.648 61.682 62.300 0.049 0.000 1.068 553 V CB 0.070 31.930 31.823 0.061 0.000 1.113 553 V HN -0.039 nan 8.190 nan 0.000 0.484 554 P HA -0.182 nan 4.420 nan 0.000 0.219 554 P C 0.501 177.815 177.300 0.024 0.000 1.144 554 P CA 1.314 64.378 63.100 -0.060 0.000 0.806 554 P CB 0.366 32.009 31.700 -0.095 0.000 0.771 555 D N -1.830 118.610 120.400 0.067 0.000 2.491 555 D HA 0.026 4.666 4.640 -0.000 0.000 0.228 555 D C 0.070 176.457 176.300 0.145 0.000 1.183 555 D CA -0.378 53.667 54.000 0.076 0.000 0.827 555 D CB -0.308 40.524 40.800 0.054 0.000 0.989 555 D HN 0.199 nan 8.370 nan 0.000 0.494 556 W N 3.623 124.921 121.300 -0.004 0.000 2.253 556 W HA 0.045 4.704 4.660 -0.000 0.000 0.322 556 W C 0.983 177.512 176.519 0.017 0.000 1.342 556 W CA -0.929 56.423 57.345 0.012 0.000 1.218 556 W CB 0.759 30.237 29.460 0.030 0.000 1.205 556 W HN -0.061 nan 8.180 nan 0.000 0.551 557 D N 3.270 123.415 120.400 -0.424 0.000 2.336 557 D HA 0.057 4.697 4.640 -0.000 0.000 0.229 557 D C 1.379 177.166 176.300 -0.855 0.000 1.061 557 D CA 0.469 54.186 54.000 -0.472 0.000 0.875 557 D CB -0.580 40.085 40.800 -0.224 0.000 0.904 557 D HN 0.785 nan 8.370 nan 0.000 0.525 558 G N -0.179 107.414 108.800 -2.011 0.000 2.272 558 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.280 558 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.280 558 G C -0.041 174.296 174.900 -0.939 0.000 1.067 558 G CA 0.208 44.029 45.100 -2.132 0.000 0.902 558 G HN 0.397 nan 8.290 nan 0.000 0.500 559 V N 2.447 122.073 119.914 -0.479 0.000 2.313 559 V HA 0.273 4.393 4.120 -0.000 0.000 0.262 559 V C 1.042 177.393 176.094 0.429 0.000 1.011 559 V CA -0.776 61.567 62.300 0.071 0.000 0.858 559 V CB 0.591 32.425 31.823 0.018 0.000 1.104 559 V HN 0.513 nan 8.190 nan 0.000 0.456 560 I N 3.965 124.854 120.570 0.531 0.000 3.076 560 I HA 0.067 4.237 4.170 -0.000 0.000 0.287 560 I C -1.400 174.883 176.117 0.277 0.000 1.204 560 I CA -0.799 60.721 61.300 0.367 0.000 1.370 560 I CB -0.469 37.684 38.000 0.254 0.000 1.444 560 I HN 0.330 nan 8.210 nan 0.000 0.549 561 P HA 0.075 nan 4.420 nan 0.000 0.271 561 P C -0.191 177.341 177.300 0.387 0.000 1.218 561 P CA -0.186 63.071 63.100 0.262 0.000 0.780 561 P CB 0.502 32.333 31.700 0.217 0.000 0.901 562 T N 3.560 118.278 114.554 0.273 0.000 2.867 562 T HA 0.142 4.492 4.350 -0.000 0.000 0.297 562 T C -2.124 172.671 174.700 0.157 0.000 0.989 562 T CA -0.842 61.390 62.100 0.219 0.000 1.159 562 T CB -0.973 67.959 68.868 0.107 0.000 0.928 562 T HN 0.344 nan 8.240 nan 0.000 0.538 563 P HA 0.141 nan 4.420 nan 0.000 0.262 563 P C 0.571 177.664 177.300 -0.344 0.000 1.182 563 P CA -0.131 62.507 63.100 -0.769 0.000 0.761 563 P CB 0.350 31.407 31.700 -1.071 0.000 0.795 564 A N 4.490 127.150 122.820 -0.266 0.000 1.972 564 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 564 A C 1.012 178.545 177.584 -0.085 0.000 1.169 564 A CA 1.222 53.204 52.037 -0.091 0.000 0.635 564 A CB -0.576 18.408 19.000 -0.027 0.000 0.810 564 A HN 0.546 nan 8.150 nan 0.000 0.446 565 I N 0.215 120.698 120.570 -0.145 0.000 2.382 565 I HA 0.277 4.446 4.170 -0.000 0.000 0.286 565 I C 0.300 176.297 176.117 -0.200 0.000 1.002 565 I CA -0.228 61.005 61.300 -0.112 0.000 1.135 565 I CB 1.670 39.645 38.000 -0.040 0.000 1.288 565 I HN 0.215 nan 8.210 nan 0.000 0.448 566 I N 5.428 125.915 120.570 -0.140 0.000 3.172 566 I HA -0.052 4.118 4.170 -0.000 0.000 0.278 566 I C 1.927 177.989 176.117 -0.091 0.000 1.174 566 I CA -0.017 61.204 61.300 -0.131 0.000 1.445 566 I CB -0.242 37.705 38.000 -0.087 0.000 1.175 566 I HN 0.553 nan 8.210 nan 0.000 0.447 567 K N 2.981 123.338 120.400 -0.072 0.000 2.590 567 K HA -0.211 4.109 4.320 -0.000 0.000 0.222 567 K C -0.794 175.775 176.600 -0.053 0.000 0.671 567 K CA 1.613 57.866 56.287 -0.056 0.000 0.851 567 K CB -2.636 29.831 32.500 -0.055 0.000 0.276 567 K HN 0.086 nan 8.250 nan 0.000 1.053 568 P HA -0.152 nan 4.420 nan 0.000 0.213 568 P C -0.064 177.211 177.300 -0.042 0.000 1.170 568 P CA 1.480 64.554 63.100 -0.044 0.000 0.893 568 P CB 0.105 31.778 31.700 -0.045 0.000 0.784 569 K N 0.867 121.234 120.400 -0.055 0.000 2.413 569 K HA 0.337 4.656 4.320 -0.000 0.000 0.257 569 K C -2.599 173.945 176.600 -0.093 0.000 0.946 569 K CA -2.712 53.548 56.287 -0.046 0.000 0.823 569 K CB 1.972 34.456 32.500 -0.026 0.000 1.109 569 K HN -0.082 nan 8.250 nan 0.000 0.427 570 P HA 0.046 nan 4.420 nan 0.000 0.266 570 P C -1.056 175.977 177.300 -0.446 0.000 1.215 570 P CA -0.267 62.657 63.100 -0.294 0.000 0.763 570 P CB 0.725 32.277 31.700 -0.246 0.000 0.806 571 L N 4.317 125.225 121.223 -0.526 0.000 2.283 571 L HA 0.644 4.984 4.340 -0.000 0.000 0.259 571 L C -0.149 176.399 176.870 -0.537 0.000 1.027 571 L CA -0.575 54.086 54.840 -0.298 0.000 0.828 571 L CB 1.389 43.506 42.059 0.097 0.000 1.380 571 L HN 0.442 nan 8.230 nan 0.000 0.425 572 W N -0.423 120.967 121.300 0.151 0.000 2.962 572 W HA 0.621 5.281 4.660 -0.000 0.000 0.341 572 W C -0.554 175.925 176.519 -0.067 0.000 1.155 572 W CA -0.703 56.668 57.345 0.044 0.000 1.165 572 W CB 2.092 31.559 29.460 0.010 0.000 1.435 572 W HN 0.496 nan 8.180 nan 0.000 0.546 573 S N -0.480 115.218 115.700 -0.005 0.000 2.638 573 S HA 0.566 5.036 4.470 -0.000 0.000 0.298 573 S C 0.803 175.292 174.600 -0.185 0.000 1.111 573 S CA -0.074 57.939 58.200 -0.312 0.000 1.027 573 S CB 1.832 64.763 63.200 -0.450 0.000 1.064 573 S HN 0.644 nan 8.310 nan 0.000 0.525 574 G N 1.724 110.364 108.800 -0.266 0.000 2.545 574 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 574 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 574 G C 1.185 175.944 174.900 -0.236 0.000 1.218 574 G CA 1.019 45.937 45.100 -0.303 0.000 0.787 574 G HN 0.806 nan 8.290 nan 0.000 0.571 575 K N 0.050 120.325 120.400 -0.208 0.000 2.077 575 K HA -0.256 4.064 4.320 -0.000 0.000 0.213 575 K C 2.572 179.106 176.600 -0.110 0.000 1.051 575 K CA 1.651 57.847 56.287 -0.152 0.000 0.929 575 K CB -0.373 32.052 32.500 -0.126 0.000 0.715 575 K HN 0.391 nan 8.250 nan 0.000 0.451 576 Q N 0.504 120.253 119.800 -0.085 0.000 2.029 576 Q HA -0.214 4.126 4.340 -0.000 0.000 0.209 576 Q C 2.380 178.372 176.000 -0.015 0.000 0.999 576 Q CA 2.297 58.091 55.803 -0.014 0.000 0.857 576 Q CB -0.222 28.554 28.738 0.062 0.000 0.926 576 Q HN 0.586 nan 8.270 nan 0.000 0.415 577 I N -2.277 118.262 120.570 -0.051 0.000 2.585 577 I HA -0.094 4.076 4.170 -0.000 0.000 0.254 577 I C 2.240 178.297 176.117 -0.101 0.000 1.129 577 I CA 0.517 61.765 61.300 -0.087 0.000 1.455 577 I CB -0.364 37.549 38.000 -0.146 0.000 1.111 577 I HN 0.092 nan 8.210 nan 0.000 0.433 578 L N 1.516 122.660 121.223 -0.132 0.000 2.197 578 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 578 L C 2.289 179.106 176.870 -0.088 0.000 1.095 578 L CA 1.964 56.726 54.840 -0.130 0.000 0.764 578 L CB -0.610 41.348 42.059 -0.169 0.000 0.897 578 L HN 0.306 nan 8.230 nan 0.000 0.436 579 S N -1.264 114.392 115.700 -0.073 0.000 2.447 579 S HA -0.093 4.377 4.470 -0.000 0.000 0.233 579 S C 1.816 176.405 174.600 -0.018 0.000 1.006 579 S CA 1.114 59.286 58.200 -0.047 0.000 0.957 579 S CB -0.337 62.841 63.200 -0.036 0.000 0.773 579 S HN 0.418 nan 8.310 nan 0.000 0.507 580 V N 1.714 121.620 119.914 -0.014 0.000 2.867 580 V HA -0.165 3.955 4.120 -0.000 0.000 0.260 580 V C 2.414 178.529 176.094 0.035 0.000 1.099 580 V CA 1.476 63.792 62.300 0.027 0.000 1.122 580 V CB -1.312 30.514 31.823 0.004 0.000 0.708 580 V HN 0.535 nan 8.190 nan 0.000 0.490 581 A N 0.120 122.942 122.820 0.003 0.000 1.878 581 A HA 0.143 4.463 4.320 -0.000 0.000 0.213 581 A C 1.246 178.833 177.584 0.005 0.000 1.192 581 A CA 0.344 52.386 52.037 0.009 0.000 0.619 581 A CB -0.331 18.662 19.000 -0.011 0.000 0.837 581 A HN 0.486 nan 8.150 nan 0.000 0.446 582 I N 3.262 123.824 120.570 -0.014 0.000 2.792 582 I HA 0.022 4.192 4.170 -0.000 0.000 0.284 582 I C -1.801 174.318 176.117 0.003 0.000 1.166 582 I CA -1.206 60.083 61.300 -0.017 0.000 1.375 582 I CB -0.001 37.978 38.000 -0.034 0.000 1.421 582 I HN 0.263 nan 8.210 nan 0.000 0.544 583 P HA -0.004 nan 4.420 nan 0.000 0.271 583 P C -0.709 176.602 177.300 0.018 0.000 1.238 583 P CA -0.226 62.887 63.100 0.021 0.000 0.794 583 P CB 0.511 32.226 31.700 0.025 0.000 0.959 584 N N -0.626 118.087 118.700 0.021 0.000 2.467 584 N HA 0.227 4.967 4.740 -0.000 0.000 0.262 584 N C 1.506 177.032 175.510 0.026 0.000 1.234 584 N CA 0.583 53.644 53.050 0.020 0.000 0.952 584 N CB 0.049 38.547 38.487 0.018 0.000 1.158 584 N HN 0.809 nan 8.380 nan 0.000 0.463 585 G N -0.261 108.557 108.800 0.029 0.000 2.320 585 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.242 585 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.242 585 G C 0.236 175.182 174.900 0.077 0.000 1.033 585 G CA -0.268 44.863 45.100 0.053 0.000 0.620 585 G HN 0.524 nan 8.290 nan 0.000 0.517 586 I N 2.315 122.916 120.570 0.051 0.000 2.821 586 I HA 0.154 4.324 4.170 -0.000 0.000 0.294 586 I C 0.482 176.643 176.117 0.073 0.000 1.210 586 I CA 0.583 61.915 61.300 0.054 0.000 1.430 586 I CB 0.160 38.170 38.000 0.018 0.000 1.356 586 I HN 0.270 nan 8.210 nan 0.000 0.563 587 H N 7.279 126.355 119.070 0.009 0.000 2.589 587 H HA 0.619 5.175 4.556 -0.000 0.000 0.351 587 H C -1.579 173.750 175.328 0.002 0.000 1.074 587 H CA -0.754 55.301 56.048 0.012 0.000 1.203 587 H CB 2.024 31.804 29.762 0.030 0.000 1.558 587 H HN 0.448 nan 8.280 nan 0.000 0.522 588 L N 3.717 125.069 121.223 0.215 0.000 2.482 588 L HA 0.385 4.725 4.340 -0.000 0.000 0.263 588 L C -1.457 175.484 176.870 0.117 0.000 0.957 588 L CA -0.259 54.664 54.840 0.138 0.000 0.836 588 L CB 2.174 44.249 42.059 0.026 0.000 1.324 588 L HN 0.648 nan 8.230 nan 0.000 0.406 589 Q N 3.586 123.467 119.800 0.135 0.000 2.347 589 Q HA 0.506 4.846 4.340 -0.000 0.000 0.271 589 Q C -0.672 175.443 176.000 0.192 0.000 1.064 589 Q CA -0.596 55.315 55.803 0.180 0.000 0.800 589 Q CB 3.276 32.169 28.738 0.258 0.000 1.304 589 Q HN 0.753 nan 8.270 nan 0.000 0.438 590 R N 1.475 122.137 120.500 0.270 0.000 1.889 590 R HA 0.342 4.682 4.340 -0.000 0.000 0.134 590 R C -0.866 175.741 176.300 0.512 0.000 2.065 590 R CA 0.189 56.445 56.100 0.259 0.000 1.705 590 R CB 0.800 31.156 30.300 0.093 0.000 1.387 590 R HN 0.591 nan 8.270 nan 0.000 0.484 591 F N 1.895 121.888 119.950 0.072 0.000 2.201 591 F HA -0.181 4.346 4.527 -0.000 0.000 0.511 591 F C 0.127 175.959 175.800 0.053 0.000 1.272 591 F CA 0.193 58.244 58.000 0.086 0.000 1.637 591 F CB -1.200 37.846 39.000 0.077 0.000 2.599 591 F HN 0.399 nan 8.300 nan 0.000 0.730 592 D N 1.693 122.181 120.400 0.145 0.000 1.992 592 D HA 0.046 4.686 4.640 -0.000 0.000 0.304 592 D C 1.531 177.886 176.300 0.093 0.000 1.099 592 D CA 0.718 54.775 54.000 0.094 0.000 0.846 592 D CB 0.200 41.031 40.800 0.051 0.000 1.011 592 D HN 0.629 nan 8.370 nan 0.000 0.336 593 E N 0.238 120.473 120.200 0.058 0.000 2.402 593 E HA 0.170 4.520 4.350 -0.000 0.000 0.261 593 E C 1.092 177.723 176.600 0.052 0.000 0.823 593 E CA -0.124 56.305 56.400 0.049 0.000 1.205 593 E CB -0.440 29.276 29.700 0.026 0.000 1.431 593 E HN 0.228 nan 8.360 nan 0.000 0.518 594 G N 2.072 110.888 108.800 0.027 0.000 2.852 594 G HA2 0.094 4.054 3.960 -0.000 0.000 0.280 594 G HA3 0.094 4.054 3.960 -0.000 0.000 0.280 594 G C -0.578 174.321 174.900 -0.002 0.000 0.731 594 G CA 0.111 45.221 45.100 0.016 0.000 2.037 594 G HN -0.013 nan 8.290 nan 0.000 0.560 595 T N 0.653 115.216 114.554 0.014 0.000 2.855 595 T HA 0.611 4.961 4.350 -0.000 0.000 0.281 595 T C 0.579 175.239 174.700 -0.068 0.000 1.007 595 T CA -0.323 61.731 62.100 -0.077 0.000 1.009 595 T CB 1.700 70.490 68.868 -0.131 0.000 0.983 595 T HN 0.431 nan 8.240 nan 0.000 0.455 596 T N 0.193 114.629 114.554 -0.197 0.000 4.314 596 T HA 0.272 4.622 4.350 -0.000 0.000 0.262 596 T C 0.608 175.191 174.700 -0.196 0.000 0.939 596 T CA -0.606 61.431 62.100 -0.105 0.000 1.179 596 T CB -0.911 67.917 68.868 -0.066 0.000 0.973 596 T HN 0.430 nan 8.240 nan 0.000 0.525 597 L N -0.524 120.510 121.223 -0.316 0.000 4.769 597 L HA -0.201 4.139 4.340 -0.000 0.000 0.446 597 L C 0.907 177.472 176.870 -0.508 0.000 1.100 597 L CA 1.632 56.281 54.840 -0.319 0.000 0.941 597 L CB -1.082 40.965 42.059 -0.021 0.000 1.821 597 L HN 0.690 nan 8.230 nan 0.000 0.948 598 L N -0.488 120.424 121.223 -0.518 0.000 3.631 598 L HA 0.207 4.546 4.340 -0.000 0.000 0.346 598 L C 0.783 177.422 176.870 -0.385 0.000 1.329 598 L CA 0.274 54.865 54.840 -0.415 0.000 1.018 598 L CB 0.493 42.424 42.059 -0.213 0.000 1.412 598 L HN 0.265 nan 8.230 nan 0.000 0.618 599 S N 0.689 116.080 115.700 -0.516 0.000 4.176 599 S HA -0.079 4.391 4.470 -0.000 0.000 0.501 599 S C -1.116 173.376 174.600 -0.181 0.000 0.996 599 S CA -0.342 57.673 58.200 -0.309 0.000 1.361 599 S CB -0.453 62.588 63.200 -0.265 0.000 0.860 599 S HN 0.396 nan 8.310 nan 0.000 0.534 600 P HA -0.169 nan 4.420 nan 0.000 0.210 600 P C 1.029 178.301 177.300 -0.046 0.000 1.189 600 P CA 1.324 64.381 63.100 -0.072 0.000 0.920 600 P CB 0.017 31.686 31.700 -0.051 0.000 0.782 601 K N -0.790 119.590 120.400 -0.033 0.000 2.585 601 K HA -0.117 4.203 4.320 -0.000 0.000 0.194 601 K C 0.078 176.674 176.600 -0.006 0.000 1.037 601 K CA 0.671 56.950 56.287 -0.013 0.000 0.964 601 K CB -0.834 31.661 32.500 -0.007 0.000 0.787 601 K HN 0.109 nan 8.250 nan 0.000 0.488 602 D N 0.698 121.090 120.400 -0.013 0.000 2.828 602 D HA -0.141 4.499 4.640 -0.000 0.000 0.241 602 D C -0.523 175.804 176.300 0.045 0.000 1.142 602 D CA 0.409 54.423 54.000 0.024 0.000 0.755 602 D CB -1.014 39.799 40.800 0.022 0.000 1.014 602 D HN 0.243 nan 8.370 nan 0.000 0.420 603 N N -0.069 118.658 118.700 0.046 0.000 2.818 603 N HA 0.621 5.361 4.740 -0.000 0.000 0.312 603 N C 1.603 177.160 175.510 0.079 0.000 1.368 603 N CA 0.043 53.118 53.050 0.042 0.000 0.817 603 N CB -0.742 37.755 38.487 0.018 0.000 1.116 603 N HN 0.422 nan 8.380 nan 0.000 0.519 604 G N 0.780 109.605 108.800 0.043 0.000 2.568 604 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.334 604 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.334 604 G C -0.192 174.674 174.900 -0.057 0.000 1.348 604 G CA 1.334 46.444 45.100 0.018 0.000 0.949 604 G HN 0.696 nan 8.290 nan 0.000 0.532 605 M N -2.050 117.409 119.600 -0.235 0.000 2.394 605 M HA 0.592 5.072 4.480 -0.000 0.000 0.267 605 M C -2.219 173.727 176.300 -0.590 0.000 0.992 605 M CA -0.545 54.502 55.300 -0.422 0.000 0.858 605 M CB 1.367 33.856 32.600 -0.186 0.000 2.027 605 M HN 1.664 nan 8.290 nan 0.000 0.508 606 L N 6.449 127.133 121.223 -0.899 0.000 2.476 606 L HA 0.886 5.226 4.340 -0.000 0.000 0.269 606 L C -2.126 174.507 176.870 -0.395 0.000 0.965 606 L CA -0.222 54.249 54.840 -0.616 0.000 0.845 606 L CB 1.826 43.423 42.059 -0.770 0.000 1.259 606 L HN 0.784 nan 8.230 nan 0.000 0.403 607 I N 6.276 126.701 120.570 -0.242 0.000 2.499 607 I HA 0.508 4.677 4.170 -0.000 0.000 0.288 607 I C -0.794 175.161 176.117 -0.270 0.000 1.048 607 I CA -0.407 60.774 61.300 -0.199 0.000 1.062 607 I CB 1.962 39.879 38.000 -0.139 0.000 1.238 607 I HN 0.487 nan 8.210 nan 0.000 0.426 608 I N 4.815 125.230 120.570 -0.258 0.000 2.509 608 I HA 0.266 4.435 4.170 -0.000 0.000 0.293 608 I C 0.305 176.318 176.117 -0.173 0.000 1.020 608 I CA -0.319 60.758 61.300 -0.371 0.000 1.088 608 I CB 1.823 39.639 38.000 -0.307 0.000 1.267 608 I HN 0.693 nan 8.210 nan 0.000 0.430 609 D N 4.248 124.571 120.400 -0.129 0.000 3.068 609 D HA -0.224 4.416 4.640 -0.000 0.000 0.219 609 D C 0.864 177.151 176.300 -0.022 0.000 1.175 609 D CA 1.927 55.910 54.000 -0.028 0.000 0.942 609 D CB -0.613 40.187 40.800 0.000 0.000 1.127 609 D HN 1.179 nan 8.370 nan 0.000 0.404 610 G N -1.436 107.336 108.800 -0.047 0.000 2.131 610 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.201 610 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.201 610 G C -0.358 174.520 174.900 -0.036 0.000 1.000 610 G CA 0.200 45.281 45.100 -0.031 0.000 0.680 610 G HN 0.414 nan 8.290 nan 0.000 0.514 611 Q N 0.046 119.814 119.800 -0.053 0.000 2.325 611 Q HA 0.509 4.849 4.340 -0.000 0.000 0.270 611 Q C 0.506 176.462 176.000 -0.072 0.000 1.020 611 Q CA -0.718 55.059 55.803 -0.044 0.000 0.785 611 Q CB 1.622 30.349 28.738 -0.020 0.000 1.259 611 Q HN 0.478 nan 8.270 nan 0.000 0.452 612 I N 3.837 124.362 120.570 -0.076 0.000 2.578 612 I HA -0.060 4.110 4.170 -0.000 0.000 0.286 612 I C 1.373 177.444 176.117 -0.078 0.000 1.126 612 I CA 0.318 61.556 61.300 -0.105 0.000 1.380 612 I CB 0.301 38.236 38.000 -0.107 0.000 1.408 612 I HN 0.605 nan 8.210 nan 0.000 0.532 613 I N 7.078 127.590 120.570 -0.098 0.000 2.703 613 I HA 0.024 4.194 4.170 -0.000 0.000 0.259 613 I C 0.183 176.383 176.117 0.139 0.000 1.151 613 I CA 0.669 61.974 61.300 0.009 0.000 1.470 613 I CB 0.151 38.174 38.000 0.039 0.000 1.112 613 I HN 0.593 nan 8.210 nan 0.000 0.437 614 F N -0.573 119.337 119.950 -0.066 0.000 2.793 614 F HA 0.606 5.133 4.527 -0.000 0.000 0.316 614 F C -0.638 175.111 175.800 -0.084 0.000 1.147 614 F CA -0.793 57.161 58.000 -0.076 0.000 0.930 614 F CB 0.111 39.064 39.000 -0.078 0.000 1.277 614 F HN -0.027 nan 8.300 nan 0.000 0.443 615 G N 1.215 110.167 108.800 0.253 0.000 2.895 615 G HA2 0.320 4.280 3.960 -0.000 0.000 0.686 615 G HA3 0.320 4.280 3.960 -0.000 0.000 0.686 615 G C -0.974 173.915 174.900 -0.017 0.000 1.108 615 G CA -0.635 44.532 45.100 0.111 0.000 0.761 615 G HN 1.553 nan 8.290 nan 0.000 0.611 616 V N 0.892 120.796 119.914 -0.016 0.000 3.566 616 V HA 0.477 4.597 4.120 -0.000 0.000 0.301 616 V C 1.224 177.276 176.094 -0.071 0.000 1.105 616 V CA -0.223 62.047 62.300 -0.050 0.000 1.142 616 V CB 1.267 33.067 31.823 -0.038 0.000 1.107 616 V HN 1.137 nan 8.190 nan 0.000 0.481 617 V N 2.030 121.893 119.914 -0.085 0.000 2.483 617 V HA 0.699 4.819 4.120 -0.000 0.000 0.297 617 V C -0.446 175.602 176.094 -0.075 0.000 1.027 617 V CA -0.315 61.933 62.300 -0.088 0.000 0.855 617 V CB 1.308 33.065 31.823 -0.109 0.000 0.995 617 V HN 1.190 nan 8.190 nan 0.000 0.424 618 E N 2.529 122.695 120.200 -0.057 0.000 2.425 618 E HA 0.384 4.734 4.350 -0.000 0.000 0.272 618 E C 0.586 177.169 176.600 -0.029 0.000 1.061 618 E CA -0.920 55.454 56.400 -0.043 0.000 0.877 618 E CB 0.612 30.292 29.700 -0.034 0.000 1.590 618 E HN 0.150 nan 8.360 nan 0.000 0.462 619 K N 0.066 120.457 120.400 -0.015 0.000 2.248 619 K HA -0.341 3.979 4.320 -0.000 0.000 0.208 619 K C 1.102 177.702 176.600 -0.000 0.000 1.044 619 K CA 2.446 58.732 56.287 -0.002 0.000 0.933 619 K CB -0.166 32.340 32.500 0.009 0.000 0.723 619 K HN 0.427 nan 8.250 nan 0.000 0.475 620 K N -1.520 118.878 120.400 -0.003 0.000 2.243 620 K HA 0.011 4.331 4.320 -0.000 0.000 0.201 620 K C 1.412 178.010 176.600 -0.003 0.000 1.051 620 K CA 1.376 57.664 56.287 0.002 0.000 0.970 620 K CB 0.419 32.922 32.500 0.004 0.000 0.755 620 K HN 0.088 nan 8.250 nan 0.000 0.465 621 T N -0.411 114.132 114.554 -0.019 0.000 3.054 621 T HA 0.116 4.466 4.350 -0.000 0.000 0.255 621 T C 0.982 175.656 174.700 -0.044 0.000 1.035 621 T CA 0.104 62.186 62.100 -0.030 0.000 0.941 621 T CB 0.829 69.668 68.868 -0.050 0.000 1.026 621 T HN -0.074 nan 8.240 nan 0.000 0.533 622 V N 0.474 120.361 119.914 -0.045 0.000 3.509 622 V HA 0.418 4.538 4.120 -0.000 0.000 0.286 622 V C 0.918 176.979 176.094 -0.055 0.000 1.618 622 V CA 0.058 62.314 62.300 -0.074 0.000 1.088 622 V CB 0.599 32.364 31.823 -0.096 0.000 0.909 622 V HN 0.473 nan 8.190 nan 0.000 0.429 623 G N 0.231 109.022 108.800 -0.016 0.000 2.537 623 G HA2 0.364 4.324 3.960 -0.000 0.000 0.297 623 G HA3 0.364 4.324 3.960 -0.000 0.000 0.297 623 G C 0.687 175.605 174.900 0.031 0.000 1.310 623 G CA 0.436 45.545 45.100 0.015 0.000 1.027 623 G HN 0.573 nan 8.290 nan 0.000 0.505 624 S N -0.434 115.296 115.700 0.049 0.000 3.033 624 S HA 0.227 4.697 4.470 -0.000 0.000 0.258 624 S C 0.986 175.592 174.600 0.010 0.000 1.207 624 S CA 0.072 58.298 58.200 0.044 0.000 1.248 624 S CB -1.079 62.150 63.200 0.048 0.000 0.932 624 S HN 0.881 nan 8.310 nan 0.000 0.472 625 S N 0.876 116.584 115.700 0.013 0.000 2.624 625 S HA 0.279 4.748 4.470 -0.000 0.000 0.263 625 S C 1.050 175.642 174.600 -0.014 0.000 1.287 625 S CA -0.705 57.500 58.200 0.008 0.000 0.990 625 S CB 0.431 63.642 63.200 0.019 0.000 0.950 625 S HN 0.400 nan 8.310 nan 0.000 0.561 626 N N 1.380 120.078 118.700 -0.003 0.000 2.024 626 N HA -0.055 4.684 4.740 -0.000 0.000 0.189 626 N C 1.578 177.181 175.510 0.154 0.000 1.095 626 N CA 1.615 54.662 53.050 -0.005 0.000 0.890 626 N CB -1.208 37.303 38.487 0.041 0.000 1.050 626 N HN 0.885 nan 8.380 nan 0.000 0.429 627 G N 0.617 109.526 108.800 0.182 0.000 3.302 627 G HA2 0.216 4.176 3.960 -0.000 0.000 0.220 627 G HA3 0.216 4.176 3.960 -0.000 0.000 0.220 627 G C 0.632 175.619 174.900 0.145 0.000 1.297 627 G CA 0.201 45.427 45.100 0.210 0.000 1.213 627 G HN 0.472 nan 8.290 nan 0.000 0.508 628 G N -0.829 108.063 108.800 0.153 0.000 2.712 628 G HA2 0.211 4.171 3.960 -0.000 0.000 0.258 628 G HA3 0.211 4.171 3.960 -0.000 0.000 0.258 628 G C 1.088 176.033 174.900 0.075 0.000 1.241 628 G CA -0.626 44.527 45.100 0.089 0.000 0.923 628 G HN 0.222 nan 8.290 nan 0.000 0.548 629 L N -0.098 121.136 121.223 0.019 0.000 2.005 629 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 629 L C 2.883 179.757 176.870 0.006 0.000 1.072 629 L CA 1.263 56.098 54.840 -0.009 0.000 0.744 629 L CB -0.366 41.659 42.059 -0.057 0.000 0.895 629 L HN 0.595 nan 8.230 nan 0.000 0.433 630 I N -0.625 119.941 120.570 -0.006 0.000 2.091 630 I HA -0.414 3.756 4.170 -0.000 0.000 0.239 630 I C 2.590 178.788 176.117 0.134 0.000 1.061 630 I CA 1.663 62.980 61.300 0.028 0.000 1.317 630 I CB -0.760 37.263 38.000 0.038 0.000 1.031 630 I HN 0.420 nan 8.210 nan 0.000 0.401 631 H N 0.985 120.074 119.070 0.031 0.000 2.357 631 H HA -0.172 4.383 4.556 -0.000 0.000 0.296 631 H C 2.019 177.367 175.328 0.033 0.000 1.108 631 H CA 2.163 58.233 56.048 0.035 0.000 1.273 631 H CB -0.430 29.350 29.762 0.030 0.000 1.367 631 H HN 0.120 nan 8.280 nan 0.000 0.498 632 V N -0.401 119.519 119.914 0.010 0.000 2.255 632 V HA -0.225 3.895 4.120 -0.000 0.000 0.243 632 V C 2.821 178.906 176.094 -0.014 0.000 1.038 632 V CA 1.500 63.761 62.300 -0.065 0.000 1.008 632 V CB -0.927 30.885 31.823 -0.019 0.000 0.645 632 V HN 0.330 nan 8.190 nan 0.000 0.449 633 V N 0.355 120.281 119.914 0.019 0.000 2.277 633 V HA -0.371 3.749 4.120 -0.000 0.000 0.253 633 V C 2.505 178.627 176.094 0.046 0.000 1.067 633 V CA 2.806 65.125 62.300 0.032 0.000 1.047 633 V CB -1.708 30.135 31.823 0.032 0.000 0.649 633 V HN 0.638 nan 8.190 nan 0.000 0.447 634 T N -0.081 114.514 114.554 0.069 0.000 2.580 634 T HA -0.236 4.113 4.350 -0.000 0.000 0.265 634 T C 2.093 176.823 174.700 0.049 0.000 1.063 634 T CA 1.814 63.961 62.100 0.077 0.000 1.170 634 T CB -0.341 68.593 68.868 0.109 0.000 0.863 634 T HN 0.318 nan 8.240 nan 0.000 0.418 635 R N 0.683 121.197 120.500 0.023 0.000 2.083 635 R HA -0.071 4.269 4.340 -0.000 0.000 0.237 635 R C 2.517 178.827 176.300 0.017 0.000 1.137 635 R CA 1.492 57.599 56.100 0.012 0.000 0.951 635 R CB -0.664 29.607 30.300 -0.049 0.000 0.851 635 R HN 0.409 nan 8.270 nan 0.000 0.434 636 E N 0.649 120.853 120.200 0.007 0.000 2.017 636 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 636 E C 1.696 178.319 176.600 0.037 0.000 0.997 636 E CA 1.548 57.961 56.400 0.022 0.000 0.804 636 E CB 0.165 29.879 29.700 0.023 0.000 0.757 636 E HN -0.010 nan 8.360 nan 0.000 0.448 637 K N -1.329 119.095 120.400 0.040 0.000 2.276 637 K HA 0.310 4.630 4.320 -0.000 0.000 0.198 637 K C 0.528 177.155 176.600 0.043 0.000 1.052 637 K CA 0.854 57.167 56.287 0.043 0.000 0.984 637 K CB 1.195 33.720 32.500 0.043 0.000 0.836 637 K HN 0.215 nan 8.250 nan 0.000 0.490 638 G N 0.833 109.662 108.800 0.047 0.000 2.347 638 G HA2 -0.043 3.916 3.960 -0.000 0.000 0.321 638 G HA3 -0.043 3.916 3.960 -0.000 0.000 0.321 638 G C -2.649 172.282 174.900 0.051 0.000 1.412 638 G CA -0.505 44.622 45.100 0.046 0.000 0.990 638 G HN -0.230 nan 8.290 nan 0.000 0.637 639 P HA -0.048 nan 4.420 nan 0.000 0.218 639 P C 1.346 178.673 177.300 0.044 0.000 1.152 639 P CA 1.089 64.213 63.100 0.039 0.000 0.826 639 P CB 0.243 31.954 31.700 0.019 0.000 0.790 640 Q N 0.143 119.965 119.800 0.037 0.000 1.993 640 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 640 Q C 2.447 178.479 176.000 0.053 0.000 0.984 640 Q CA 1.350 57.175 55.803 0.036 0.000 0.837 640 Q CB -1.341 27.412 28.738 0.026 0.000 0.902 640 Q HN 0.120 nan 8.270 nan 0.000 0.423 641 V N 0.744 120.690 119.914 0.054 0.000 2.252 641 V HA -0.334 3.786 4.120 -0.000 0.000 0.249 641 V C 2.596 178.744 176.094 0.090 0.000 1.056 641 V CA 1.939 64.275 62.300 0.061 0.000 1.022 641 V CB -0.992 30.862 31.823 0.051 0.000 0.641 641 V HN 0.510 nan 8.190 nan 0.000 0.445 642 C N 0.358 119.724 119.300 0.109 0.000 2.413 642 C HA -0.137 4.323 4.460 -0.000 0.000 0.276 642 C C 3.086 178.256 174.990 0.300 0.000 1.248 642 C CA 0.944 60.066 59.018 0.174 0.000 1.742 642 C CB -1.322 26.525 27.740 0.178 0.000 2.017 642 C HN 0.607 nan 8.230 nan 0.000 0.481 643 A N -0.331 122.612 122.820 0.205 0.000 1.933 643 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 643 A C 2.271 179.985 177.584 0.217 0.000 1.175 643 A CA 1.983 54.122 52.037 0.170 0.000 0.628 643 A CB -0.677 18.345 19.000 0.037 0.000 0.814 643 A HN 0.761 nan 8.150 nan 0.000 0.444 644 K N -0.766 119.727 120.400 0.154 0.000 2.217 644 K HA -0.050 4.270 4.320 -0.000 0.000 0.202 644 K C 1.804 178.489 176.600 0.143 0.000 1.051 644 K CA 0.976 57.336 56.287 0.121 0.000 0.952 644 K CB -0.207 32.336 32.500 0.072 0.000 0.736 644 K HN 0.373 nan 8.250 nan 0.000 0.453 645 L N 0.588 121.906 121.223 0.157 0.000 2.083 645 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 645 L C 1.549 178.454 176.870 0.058 0.000 1.083 645 L CA 1.686 56.570 54.840 0.074 0.000 0.752 645 L CB -0.580 41.484 42.059 0.008 0.000 0.899 645 L HN 0.074 nan 8.230 nan 0.000 0.433 646 F N 0.402 120.373 119.950 0.035 0.000 2.069 646 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 646 F C 2.543 178.370 175.800 0.046 0.000 1.113 646 F CA 1.707 59.732 58.000 0.042 0.000 1.214 646 F CB -1.472 37.557 39.000 0.048 0.000 0.978 646 F HN 0.205 nan 8.300 nan 0.000 0.474 647 G N 0.338 109.289 108.800 0.252 0.000 2.586 647 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.218 647 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.218 647 G C 1.656 176.625 174.900 0.114 0.000 1.216 647 G CA 1.411 46.600 45.100 0.148 0.000 0.786 647 G HN 0.280 nan 8.290 nan 0.000 0.583 648 N N 0.940 119.692 118.700 0.087 0.000 2.006 648 N HA -0.118 4.622 4.740 -0.000 0.000 0.196 648 N C 2.319 177.871 175.510 0.069 0.000 1.070 648 N CA 1.375 54.467 53.050 0.071 0.000 0.859 648 N CB -0.771 37.745 38.487 0.048 0.000 1.060 648 N HN 0.338 nan 8.380 nan 0.000 0.424 649 I N 1.862 122.446 120.570 0.024 0.000 2.178 649 I HA -0.427 3.743 4.170 -0.000 0.000 0.243 649 I C 2.535 178.675 176.117 0.040 0.000 1.019 649 I CA 1.686 62.983 61.300 -0.006 0.000 1.294 649 I CB -0.522 37.435 38.000 -0.072 0.000 0.996 649 I HN 0.321 nan 8.210 nan 0.000 0.415 650 Q N 0.535 120.384 119.800 0.082 0.000 1.975 650 Q HA -0.247 4.093 4.340 -0.000 0.000 0.205 650 Q C 2.257 178.357 176.000 0.168 0.000 0.990 650 Q CA 1.774 57.651 55.803 0.124 0.000 0.845 650 Q CB -0.244 28.588 28.738 0.157 0.000 0.913 650 Q HN 0.523 nan 8.270 nan 0.000 0.420 651 K N 0.227 120.760 120.400 0.222 0.000 2.034 651 K HA -0.204 4.116 4.320 -0.000 0.000 0.214 651 K C 2.196 178.976 176.600 0.300 0.000 1.051 651 K CA 1.906 58.429 56.287 0.393 0.000 0.931 651 K CB -0.551 32.218 32.500 0.448 0.000 0.715 651 K HN 0.025 nan 8.250 nan 0.000 0.446 652 V N 1.338 121.366 119.914 0.190 0.000 2.221 652 V HA -0.293 3.827 4.120 -0.000 0.000 0.244 652 V C 2.377 178.539 176.094 0.115 0.000 1.043 652 V CA 1.990 64.354 62.300 0.106 0.000 0.996 652 V CB -0.747 31.095 31.823 0.031 0.000 0.636 652 V HN 0.117 nan 8.190 nan 0.000 0.454 653 V N 0.923 120.875 119.914 0.064 0.000 2.226 653 V HA -0.395 3.725 4.120 -0.000 0.000 0.254 653 V C 2.385 178.573 176.094 0.156 0.000 1.065 653 V CA 2.664 65.008 62.300 0.073 0.000 1.039 653 V CB -1.137 30.700 31.823 0.023 0.000 0.653 653 V HN 0.625 nan 8.190 nan 0.000 0.450 654 N N -0.495 118.284 118.700 0.133 0.000 2.060 654 N HA -0.233 4.507 4.740 -0.000 0.000 0.195 654 N C 1.683 177.229 175.510 0.061 0.000 1.028 654 N CA 2.147 55.270 53.050 0.123 0.000 0.861 654 N CB -0.639 37.943 38.487 0.159 0.000 1.029 654 N HN 0.586 nan 8.380 nan 0.000 0.428 655 F N 0.305 120.137 119.950 -0.196 0.000 2.102 655 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 655 F C 2.423 178.016 175.800 -0.345 0.000 1.105 655 F CA 1.360 59.073 58.000 -0.479 0.000 1.239 655 F CB -0.727 37.688 39.000 -0.975 0.000 0.991 655 F HN 0.150 nan 8.300 nan 0.000 0.474 656 W N 0.871 121.904 121.300 -0.444 0.000 2.354 656 W HA -0.233 4.427 4.660 -0.000 0.000 0.315 656 W C 2.156 178.483 176.519 -0.320 0.000 1.206 656 W CA 2.031 59.103 57.345 -0.455 0.000 1.290 656 W CB -0.737 28.600 29.460 -0.206 0.000 1.152 656 W HN 0.152 nan 8.180 nan 0.000 0.489 657 L N 1.155 122.452 121.223 0.122 0.000 2.265 657 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 657 L C 2.198 178.978 176.870 -0.150 0.000 1.117 657 L CA 1.977 56.793 54.840 -0.041 0.000 0.782 657 L CB -1.369 40.803 42.059 0.187 0.000 0.914 657 L HN 0.276 nan 8.230 nan 0.000 0.441 658 L N -1.005 120.134 121.223 -0.141 0.000 2.042 658 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 658 L C 2.220 179.060 176.870 -0.050 0.000 1.076 658 L CA 1.944 56.748 54.840 -0.060 0.000 0.749 658 L CB -0.850 41.197 42.059 -0.020 0.000 0.893 658 L HN 0.371 nan 8.230 nan 0.000 0.432 659 H N -1.095 117.697 119.070 -0.464 0.000 2.329 659 H HA 0.056 4.612 4.556 -0.000 0.000 0.306 659 H C 2.106 177.164 175.328 -0.451 0.000 1.062 659 H CA 1.340 57.118 56.048 -0.450 0.000 1.364 659 H CB -0.716 28.715 29.762 -0.551 0.000 1.409 659 H HN 0.394 nan 8.280 nan 0.000 0.519 660 N N 0.792 119.158 118.700 -0.557 0.000 2.334 660 N HA -0.095 4.645 4.740 -0.000 0.000 0.187 660 N C 0.505 175.836 175.510 -0.299 0.000 1.016 660 N CA 1.017 53.694 53.050 -0.621 0.000 0.879 660 N CB 0.006 37.685 38.487 -1.347 0.000 0.965 660 N HN 0.549 nan 8.380 nan 0.000 0.438 661 G N -1.268 107.411 108.800 -0.202 0.000 2.901 661 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.654 661 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.654 661 G C -0.695 174.277 174.900 0.120 0.000 1.550 661 G CA 0.063 45.134 45.100 -0.047 0.000 0.978 661 G HN 0.415 nan 8.290 nan 0.000 0.566 662 F N 0.077 119.994 119.950 -0.056 0.000 2.770 662 F HA 0.739 5.266 4.527 -0.000 0.000 0.313 662 F C -0.009 175.784 175.800 -0.011 0.000 1.154 662 F CA 0.514 58.502 58.000 -0.020 0.000 0.923 662 F CB 1.432 40.437 39.000 0.008 0.000 1.301 662 F HN 1.690 nan 8.300 nan 0.000 0.449 663 S N 1.108 116.159 115.700 -1.082 0.000 2.655 663 S HA 0.792 5.262 4.470 -0.000 0.000 0.273 663 S C -1.784 172.389 174.600 -0.711 0.000 1.177 663 S CA 0.073 57.869 58.200 -0.673 0.000 0.918 663 S CB 1.280 64.295 63.200 -0.308 0.000 1.217 663 S HN 1.036 nan 8.310 nan 0.000 0.492 664 T N -0.070 114.275 114.554 -0.348 0.000 2.893 664 T HA 0.696 5.046 4.350 -0.000 0.000 0.337 664 T C -0.845 173.780 174.700 -0.126 0.000 1.587 664 T CA 0.029 61.996 62.100 -0.223 0.000 1.066 664 T CB 1.319 70.085 68.868 -0.171 0.000 1.414 664 T HN 1.656 nan 8.240 nan 0.000 0.488 665 G N 1.267 110.016 108.800 -0.085 0.000 2.503 665 G HA2 0.480 4.440 3.960 -0.000 0.000 0.305 665 G HA3 0.480 4.440 3.960 -0.000 0.000 0.305 665 G C 0.566 175.444 174.900 -0.036 0.000 1.575 665 G CA -0.098 44.968 45.100 -0.057 0.000 0.890 665 G HN 0.985 nan 8.290 nan 0.000 0.612 666 I N 0.453 121.008 120.570 -0.024 0.000 2.811 666 I HA -0.363 3.807 4.170 -0.000 0.000 0.229 666 I C 2.402 178.515 176.117 -0.008 0.000 0.854 666 I CA 2.763 64.056 61.300 -0.012 0.000 1.230 666 I CB -1.406 36.588 38.000 -0.010 0.000 0.953 666 I HN 0.920 nan 8.210 nan 0.000 0.389 667 G N -0.193 108.598 108.800 -0.013 0.000 2.479 667 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 667 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 667 G C 1.268 176.167 174.900 -0.003 0.000 1.115 667 G CA 1.132 46.227 45.100 -0.008 0.000 0.757 667 G HN 0.631 nan 8.290 nan 0.000 0.560 668 D N -0.023 120.373 120.400 -0.006 0.000 2.347 668 D HA -0.047 4.593 4.640 -0.000 0.000 0.213 668 D C 2.445 178.755 176.300 0.016 0.000 0.985 668 D CA 1.369 55.372 54.000 0.005 0.000 0.879 668 D CB 0.105 40.903 40.800 -0.004 0.000 0.919 668 D HN 0.494 nan 8.370 nan 0.000 0.526 669 T N -1.392 113.170 114.554 0.014 0.000 3.086 669 T HA 0.192 4.542 4.350 -0.000 0.000 0.250 669 T C 1.133 175.846 174.700 0.021 0.000 1.074 669 T CA -0.192 61.921 62.100 0.022 0.000 0.988 669 T CB 0.193 69.076 68.868 0.025 0.000 0.988 669 T HN -0.018 nan 8.240 nan 0.000 0.530 670 I N 2.274 122.854 120.570 0.017 0.000 2.371 670 I HA 0.566 4.736 4.170 -0.000 0.000 0.290 670 I C 0.451 176.580 176.117 0.019 0.000 1.028 670 I CA -1.089 60.220 61.300 0.016 0.000 1.345 670 I CB 0.950 38.957 38.000 0.011 0.000 1.407 670 I HN 0.114 nan 8.210 nan 0.000 0.501 671 A N 4.356 127.187 122.820 0.019 0.000 2.306 671 A HA 0.271 4.591 4.320 -0.000 0.000 0.314 671 A C -0.228 177.368 177.584 0.020 0.000 1.164 671 A CA -0.561 51.490 52.037 0.023 0.000 0.822 671 A CB 0.543 19.557 19.000 0.024 0.000 1.130 671 A HN 0.776 nan 8.150 nan 0.000 0.496 672 D N 2.067 122.480 120.400 0.022 0.000 2.877 672 D HA 0.101 4.741 4.640 -0.000 0.000 0.220 672 D C 1.684 177.995 176.300 0.017 0.000 1.089 672 D CA 1.700 55.712 54.000 0.020 0.000 0.811 672 D CB 0.570 41.383 40.800 0.022 0.000 1.162 672 D HN 0.626 nan 8.370 nan 0.000 0.513 673 G N 4.983 113.791 108.800 0.015 0.000 2.703 673 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.222 673 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.222 673 G C -0.588 174.321 174.900 0.014 0.000 1.183 673 G CA 1.119 46.227 45.100 0.013 0.000 0.775 673 G HN 0.641 nan 8.290 nan 0.000 0.615 674 P HA -0.025 nan 4.420 nan 0.000 0.216 674 P C 1.754 179.065 177.300 0.018 0.000 1.153 674 P CA 1.809 64.918 63.100 0.015 0.000 0.844 674 P CB -0.385 31.323 31.700 0.015 0.000 0.787 675 T N -0.076 114.490 114.554 0.020 0.000 2.822 675 T HA -0.126 4.224 4.350 -0.000 0.000 0.270 675 T C 1.921 176.635 174.700 0.023 0.000 1.064 675 T CA 1.139 63.253 62.100 0.024 0.000 1.131 675 T CB -0.453 68.432 68.868 0.028 0.000 0.858 675 T HN -0.003 nan 8.240 nan 0.000 0.483 676 M N 0.653 120.265 119.600 0.020 0.000 2.074 676 M HA -0.012 4.468 4.480 -0.000 0.000 0.259 676 M C 2.501 178.812 176.300 0.018 0.000 1.079 676 M CA 1.506 56.816 55.300 0.017 0.000 1.119 676 M CB -0.916 31.693 32.600 0.014 0.000 1.297 676 M HN 0.140 nan 8.290 nan 0.000 0.416 677 R N 0.528 121.038 120.500 0.017 0.000 2.113 677 R HA -0.244 4.096 4.340 -0.000 0.000 0.244 677 R C 1.969 178.281 176.300 0.019 0.000 1.142 677 R CA 2.318 58.428 56.100 0.017 0.000 0.953 677 R CB -0.468 29.841 30.300 0.015 0.000 0.860 677 R HN 0.474 nan 8.270 nan 0.000 0.438 678 E N 0.027 120.239 120.200 0.020 0.000 2.219 678 E HA -0.216 4.134 4.350 -0.000 0.000 0.198 678 E C 1.787 178.401 176.600 0.025 0.000 0.998 678 E CA 1.492 57.905 56.400 0.021 0.000 0.818 678 E CB -0.044 29.669 29.700 0.022 0.000 0.741 678 E HN 0.519 nan 8.360 nan 0.000 0.477 679 I N -0.231 120.355 120.570 0.027 0.000 2.429 679 I HA -0.139 4.031 4.170 -0.000 0.000 0.247 679 I C 2.163 178.300 176.117 0.034 0.000 1.099 679 I CA 0.901 62.220 61.300 0.032 0.000 1.422 679 I CB -0.224 37.794 38.000 0.029 0.000 1.112 679 I HN 0.073 nan 8.210 nan 0.000 0.430 680 T N 1.211 115.782 114.554 0.029 0.000 2.822 680 T HA -0.218 4.132 4.350 -0.000 0.000 0.270 680 T C 1.502 176.222 174.700 0.035 0.000 1.064 680 T CA 1.761 63.881 62.100 0.033 0.000 1.131 680 T CB -0.389 68.495 68.868 0.026 0.000 0.858 680 T HN 0.611 nan 8.240 nan 0.000 0.483 681 E N 0.244 120.460 120.200 0.027 0.000 2.415 681 E HA 0.031 4.381 4.350 -0.000 0.000 0.197 681 E C 1.624 178.234 176.600 0.017 0.000 1.007 681 E CA 0.509 56.921 56.400 0.020 0.000 0.890 681 E CB -0.330 29.378 29.700 0.014 0.000 0.891 681 E HN 0.255 nan 8.360 nan 0.000 0.496 682 T N 1.312 115.880 114.554 0.024 0.000 3.023 682 T HA 0.078 4.428 4.350 -0.000 0.000 0.266 682 T C 1.783 176.499 174.700 0.027 0.000 1.093 682 T CA 0.580 62.693 62.100 0.021 0.000 1.129 682 T CB -0.041 68.846 68.868 0.033 0.000 0.899 682 T HN 0.166 nan 8.240 nan 0.000 0.491 683 I N 1.225 121.825 120.570 0.050 0.000 2.188 683 I HA -0.029 4.141 4.170 -0.000 0.000 0.237 683 I C 2.987 179.127 176.117 0.039 0.000 1.073 683 I CA 0.870 62.220 61.300 0.082 0.000 1.359 683 I CB -0.601 37.477 38.000 0.129 0.000 1.083 683 I HN 0.143 nan 8.210 nan 0.000 0.412 684 A N 1.607 124.449 122.820 0.036 0.000 1.917 684 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 684 A C 2.171 179.747 177.584 -0.012 0.000 1.182 684 A CA 2.452 54.500 52.037 0.018 0.000 0.633 684 A CB -0.978 18.035 19.000 0.022 0.000 0.819 684 A HN 0.680 nan 8.150 nan 0.000 0.448 685 E N -0.047 120.140 120.200 -0.020 0.000 2.110 685 E HA -0.001 4.349 4.350 -0.000 0.000 0.193 685 E C 1.842 178.388 176.600 -0.090 0.000 0.988 685 E CA 1.359 57.731 56.400 -0.047 0.000 0.804 685 E CB -0.457 29.217 29.700 -0.042 0.000 0.745 685 E HN 0.474 nan 8.360 nan 0.000 0.458 686 A N 1.263 124.028 122.820 -0.091 0.000 1.968 686 A HA -0.084 4.235 4.320 -0.000 0.000 0.217 686 A C 2.037 179.532 177.584 -0.148 0.000 1.169 686 A CA 1.236 53.183 52.037 -0.149 0.000 0.638 686 A CB -0.267 18.666 19.000 -0.111 0.000 0.812 686 A HN 0.156 nan 8.150 nan 0.000 0.446 687 K N -0.036 120.306 120.400 -0.096 0.000 2.026 687 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 687 K C 2.032 178.603 176.600 -0.048 0.000 1.048 687 K CA 1.630 57.873 56.287 -0.074 0.000 0.929 687 K CB -0.179 32.307 32.500 -0.024 0.000 0.713 687 K HN 0.357 nan 8.250 nan 0.000 0.439 688 K N 1.139 121.511 120.400 -0.046 0.000 2.148 688 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 688 K C 1.999 178.567 176.600 -0.053 0.000 1.050 688 K CA 0.966 57.233 56.287 -0.033 0.000 0.942 688 K CB 0.034 32.516 32.500 -0.031 0.000 0.724 688 K HN 0.013 nan 8.250 nan 0.000 0.446 689 K N 0.622 120.944 120.400 -0.130 0.000 2.442 689 K HA -0.099 4.221 4.320 -0.000 0.000 0.198 689 K C 1.488 178.028 176.600 -0.101 0.000 1.044 689 K CA 0.627 56.776 56.287 -0.230 0.000 0.948 689 K CB 0.295 32.482 32.500 -0.521 0.000 0.762 689 K HN -0.038 nan 8.250 nan 0.000 0.472 690 V N 0.408 120.325 119.914 0.005 0.000 2.521 690 V HA -0.145 3.975 4.120 -0.000 0.000 0.239 690 V C 1.884 178.073 176.094 0.158 0.000 1.053 690 V CA 0.782 63.178 62.300 0.161 0.000 1.073 690 V CB -0.187 31.698 31.823 0.102 0.000 0.746 690 V HN 0.304 nan 8.190 nan 0.000 0.476 691 L N 1.141 122.417 121.223 0.089 0.000 2.034 691 L HA -0.276 4.064 4.340 -0.000 0.000 0.217 691 L C 1.902 178.818 176.870 0.077 0.000 1.077 691 L CA 2.527 57.415 54.840 0.080 0.000 0.769 691 L CB -1.106 40.979 42.059 0.043 0.000 0.890 691 L HN 0.363 nan 8.230 nan 0.000 0.435 692 D N -0.301 120.137 120.400 0.064 0.000 2.103 692 D HA -0.201 4.439 4.640 -0.000 0.000 0.190 692 D C 2.164 178.511 176.300 0.079 0.000 0.997 692 D CA 2.128 56.162 54.000 0.056 0.000 0.833 692 D CB -0.595 40.233 40.800 0.047 0.000 0.961 692 D HN 0.327 nan 8.370 nan 0.000 0.447 693 V N 0.525 120.527 119.914 0.146 0.000 3.078 693 V HA -0.148 3.972 4.120 -0.000 0.000 0.265 693 V C 2.114 178.292 176.094 0.140 0.000 1.122 693 V CA 1.588 63.998 62.300 0.183 0.000 1.141 693 V CB -0.752 31.261 31.823 0.316 0.000 0.735 693 V HN 0.224 nan 8.190 nan 0.000 0.498 694 T N -0.684 113.946 114.554 0.127 0.000 2.894 694 T HA -0.058 4.292 4.350 -0.000 0.000 0.258 694 T C 1.945 176.558 174.700 -0.144 0.000 1.043 694 T CA 0.918 63.006 62.100 -0.019 0.000 1.141 694 T CB -0.019 68.927 68.868 0.131 0.000 0.873 694 T HN 0.423 nan 8.240 nan 0.000 0.449 695 K N 0.938 121.306 120.400 -0.054 0.000 2.116 695 K HA 0.050 4.370 4.320 -0.000 0.000 0.203 695 K C 2.171 178.727 176.600 -0.073 0.000 1.052 695 K CA 0.591 56.839 56.287 -0.065 0.000 0.952 695 K CB 0.019 32.503 32.500 -0.026 0.000 0.729 695 K HN 0.341 nan 8.250 nan 0.000 0.446 696 E N 0.207 120.380 120.200 -0.045 0.000 2.515 696 E HA -0.111 4.238 4.350 -0.000 0.000 0.201 696 E C 0.819 177.374 176.600 -0.074 0.000 1.071 696 E CA 0.373 56.752 56.400 -0.034 0.000 0.880 696 E CB 0.201 29.907 29.700 0.011 0.000 0.828 696 E HN 0.285 nan 8.360 nan 0.000 0.540 697 A N -0.216 122.510 122.820 -0.157 0.000 2.390 697 A HA 0.135 4.455 4.320 -0.000 0.000 0.225 697 A C 1.455 178.889 177.584 -0.251 0.000 1.232 697 A CA -0.286 51.606 52.037 -0.241 0.000 0.964 697 A CB 0.395 19.111 19.000 -0.473 0.000 1.064 697 A HN 0.170 nan 8.150 nan 0.000 0.525 698 Q N -0.467 119.205 119.800 -0.213 0.000 2.320 698 Q HA 0.328 4.668 4.340 -0.000 0.000 0.201 698 Q C 1.282 177.215 176.000 -0.111 0.000 0.910 698 Q CA 0.474 56.172 55.803 -0.176 0.000 0.946 698 Q CB 0.300 28.946 28.738 -0.154 0.000 1.062 698 Q HN 0.603 nan 8.270 nan 0.000 0.503 699 A N 0.472 123.235 122.820 -0.095 0.000 2.358 699 A HA 0.118 4.438 4.320 -0.000 0.000 0.223 699 A C 0.676 178.226 177.584 -0.056 0.000 1.218 699 A CA 0.219 52.219 52.037 -0.062 0.000 0.942 699 A CB 0.279 19.251 19.000 -0.047 0.000 1.005 699 A HN 0.404 nan 8.150 nan 0.000 0.514 700 N N -1.427 117.231 118.700 -0.070 0.000 2.869 700 N HA -0.127 4.613 4.740 -0.000 0.000 0.249 700 N C -0.047 175.441 175.510 -0.037 0.000 1.104 700 N CA 0.933 53.950 53.050 -0.055 0.000 0.760 700 N CB -2.026 36.435 38.487 -0.043 0.000 1.108 700 N HN 0.402 nan 8.380 nan 0.000 0.555 701 L N -0.390 120.811 121.223 -0.037 0.000 2.783 701 L HA 0.346 4.685 4.340 -0.000 0.000 0.236 701 L C 0.188 177.052 176.870 -0.011 0.000 1.225 701 L CA 0.070 54.898 54.840 -0.020 0.000 1.026 701 L CB -0.065 41.984 42.059 -0.016 0.000 1.314 701 L HN 0.137 nan 8.230 nan 0.000 0.489 702 L N -0.236 120.979 121.223 -0.014 0.000 2.365 702 L HA 0.415 4.755 4.340 -0.000 0.000 0.273 702 L C 0.110 176.985 176.870 0.008 0.000 1.000 702 L CA -0.351 54.490 54.840 0.002 0.000 0.819 702 L CB 2.471 44.531 42.059 0.001 0.000 1.284 702 L HN -0.060 nan 8.230 nan 0.000 0.418 703 T N 2.621 117.186 114.554 0.018 0.000 2.779 703 T HA 0.267 4.617 4.350 -0.000 0.000 0.296 703 T C 0.379 175.097 174.700 0.030 0.000 0.938 703 T CA -0.374 61.740 62.100 0.022 0.000 1.119 703 T CB 0.867 69.750 68.868 0.025 0.000 0.891 703 T HN 0.612 nan 8.240 nan 0.000 0.526 704 A N 5.029 127.867 122.820 0.030 0.000 2.444 704 A HA 0.213 4.533 4.320 -0.000 0.000 0.287 704 A C 0.574 178.189 177.584 0.052 0.000 1.195 704 A CA -0.438 51.621 52.037 0.036 0.000 0.858 704 A CB -0.208 18.810 19.000 0.030 0.000 1.117 704 A HN 0.799 nan 8.150 nan 0.000 0.521 705 K N 3.021 123.451 120.400 0.051 0.000 2.402 705 K HA -0.023 4.297 4.320 -0.000 0.000 0.279 705 K C 0.095 176.750 176.600 0.091 0.000 1.082 705 K CA 0.008 56.336 56.287 0.068 0.000 1.080 705 K CB -0.005 32.524 32.500 0.049 0.000 0.899 705 K HN 0.836 nan 8.250 nan 0.000 0.469 706 H N 1.653 120.729 119.070 0.010 0.000 3.184 706 H HA -0.187 4.369 4.556 -0.000 0.000 0.283 706 H C 1.413 176.746 175.328 0.008 0.000 0.894 706 H CA 2.147 58.199 56.048 0.007 0.000 1.391 706 H CB 0.017 29.783 29.762 0.006 0.000 1.269 706 H HN 0.875 nan 8.280 nan 0.000 0.555 707 G N 3.165 111.718 108.800 -0.411 0.000 2.199 707 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.254 707 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.254 707 G C 0.124 174.949 174.900 -0.126 0.000 0.982 707 G CA 0.390 45.307 45.100 -0.305 0.000 0.632 707 G HN 0.684 nan 8.290 nan 0.000 0.529 708 M N 1.125 120.685 119.600 -0.068 0.000 2.464 708 M HA 0.454 4.934 4.480 -0.000 0.000 0.308 708 M C 0.453 176.748 176.300 -0.008 0.000 1.127 708 M CA -0.665 54.618 55.300 -0.029 0.000 0.913 708 M CB 2.121 34.714 32.600 -0.012 0.000 1.689 708 M HN 0.033 nan 8.290 nan 0.000 0.445 709 T N 1.658 116.213 114.554 0.001 0.000 2.788 709 T HA 0.038 4.388 4.350 -0.000 0.000 0.333 709 T C 1.345 176.063 174.700 0.030 0.000 1.090 709 T CA -0.163 61.947 62.100 0.015 0.000 1.094 709 T CB 0.390 69.272 68.868 0.024 0.000 0.999 709 T HN 0.439 nan 8.240 nan 0.000 0.549 710 L N 0.945 122.186 121.223 0.030 0.000 2.083 710 L HA 0.007 4.347 4.340 -0.000 0.000 0.209 710 L C 2.685 179.603 176.870 0.080 0.000 1.083 710 L CA 1.689 56.550 54.840 0.036 0.000 0.752 710 L CB -0.734 41.328 42.059 0.006 0.000 0.899 710 L HN 0.501 nan 8.230 nan 0.000 0.433 711 R N -0.284 120.269 120.500 0.088 0.000 2.062 711 R HA -0.109 4.231 4.340 -0.000 0.000 0.231 711 R C 2.257 178.652 176.300 0.158 0.000 1.136 711 R CA 1.263 57.463 56.100 0.167 0.000 0.948 711 R CB -0.256 30.129 30.300 0.143 0.000 0.845 711 R HN 0.414 nan 8.270 nan 0.000 0.430 712 E N -0.146 120.101 120.200 0.079 0.000 2.171 712 E HA -0.180 4.170 4.350 -0.000 0.000 0.197 712 E C 1.887 178.502 176.600 0.025 0.000 0.997 712 E CA 1.427 57.847 56.400 0.033 0.000 0.810 712 E CB 0.003 29.709 29.700 0.011 0.000 0.738 712 E HN 0.233 nan 8.360 nan 0.000 0.467 713 S N 0.414 116.147 115.700 0.054 0.000 2.414 713 S HA -0.078 4.392 4.470 -0.000 0.000 0.227 713 S C 1.490 176.139 174.600 0.082 0.000 1.022 713 S CA 0.356 58.583 58.200 0.045 0.000 0.958 713 S CB -0.194 63.036 63.200 0.051 0.000 0.797 713 S HN 0.286 nan 8.310 nan 0.000 0.493 714 F N 3.275 123.209 119.950 -0.026 0.000 2.075 714 F HA -0.094 4.433 4.527 -0.000 0.000 0.297 714 F C 2.175 177.957 175.800 -0.031 0.000 1.113 714 F CA 1.468 59.454 58.000 -0.023 0.000 1.218 714 F CB -0.701 38.297 39.000 -0.003 0.000 0.984 714 F HN 0.075 nan 8.300 nan 0.000 0.472 715 E N 0.200 120.202 120.200 -0.330 0.000 2.023 715 E HA -0.285 4.065 4.350 -0.000 0.000 0.196 715 E C 2.088 178.501 176.600 -0.312 0.000 1.003 715 E CA 1.491 57.622 56.400 -0.449 0.000 0.809 715 E CB -1.068 28.490 29.700 -0.236 0.000 0.755 715 E HN 0.505 nan 8.360 nan 0.000 0.449 716 D N 0.719 121.006 120.400 -0.189 0.000 2.254 716 D HA -0.199 4.441 4.640 -0.000 0.000 0.201 716 D C 1.296 177.452 176.300 -0.240 0.000 0.998 716 D CA 0.982 54.883 54.000 -0.164 0.000 0.885 716 D CB 0.037 40.775 40.800 -0.102 0.000 0.915 716 D HN 0.145 nan 8.370 nan 0.000 0.460 717 N N -0.474 118.036 118.700 -0.316 0.000 2.368 717 N HA -0.061 4.679 4.740 -0.000 0.000 0.178 717 N C 2.172 177.284 175.510 -0.662 0.000 1.021 717 N CA 0.391 53.109 53.050 -0.554 0.000 0.875 717 N CB -0.175 38.020 38.487 -0.485 0.000 1.020 717 N HN 0.104 nan 8.380 nan 0.000 0.433 718 V N 1.767 121.424 119.914 -0.429 0.000 2.252 718 V HA -0.217 3.903 4.120 -0.000 0.000 0.249 718 V C 2.564 178.555 176.094 -0.171 0.000 1.056 718 V CA 1.541 63.679 62.300 -0.271 0.000 1.022 718 V CB -0.736 30.815 31.823 -0.452 0.000 0.641 718 V HN 0.021 nan 8.190 nan 0.000 0.445 719 V N -0.360 119.430 119.914 -0.208 0.000 2.237 719 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 719 V C 2.510 178.562 176.094 -0.069 0.000 1.046 719 V CA 2.286 64.514 62.300 -0.119 0.000 1.007 719 V CB -0.781 30.972 31.823 -0.117 0.000 0.638 719 V HN 0.433 nan 8.190 nan 0.000 0.445 720 R N -1.287 119.135 120.500 -0.131 0.000 2.371 720 R HA -0.142 4.198 4.340 -0.000 0.000 0.226 720 R C 2.006 178.340 176.300 0.056 0.000 1.132 720 R CA 1.273 57.326 56.100 -0.079 0.000 1.027 720 R CB -0.197 30.008 30.300 -0.157 0.000 0.848 720 R HN 0.577 nan 8.270 nan 0.000 0.479 721 F N -0.834 119.083 119.950 -0.055 0.000 2.298 721 F HA -0.067 4.460 4.527 -0.000 0.000 0.282 721 F C 2.028 177.782 175.800 -0.076 0.000 1.045 721 F CA -0.120 57.844 58.000 -0.059 0.000 1.280 721 F CB -0.107 38.847 39.000 -0.076 0.000 1.114 721 F HN -0.073 nan 8.300 nan 0.000 0.546 722 L N 0.600 121.870 121.223 0.078 0.000 1.956 722 L HA -0.342 3.998 4.340 -0.000 0.000 0.216 722 L C 2.114 179.033 176.870 0.082 0.000 1.073 722 L CA 1.566 56.354 54.840 -0.087 0.000 0.762 722 L CB -1.021 40.876 42.059 -0.270 0.000 0.889 722 L HN 0.153 nan 8.230 nan 0.000 0.433 723 N N -0.235 118.531 118.700 0.110 0.000 2.061 723 N HA -0.269 4.471 4.740 -0.000 0.000 0.193 723 N C 1.836 177.419 175.510 0.123 0.000 1.030 723 N CA 1.661 54.788 53.050 0.127 0.000 0.856 723 N CB -0.417 38.125 38.487 0.092 0.000 1.023 723 N HN 0.416 nan 8.380 nan 0.000 0.424 724 E N 0.520 120.792 120.200 0.119 0.000 2.114 724 E HA -0.219 4.131 4.350 -0.000 0.000 0.199 724 E C 1.823 178.487 176.600 0.107 0.000 1.008 724 E CA 1.559 58.031 56.400 0.121 0.000 0.810 724 E CB -0.044 29.751 29.700 0.158 0.000 0.739 724 E HN 0.416 nan 8.360 nan 0.000 0.456 725 A N 1.038 123.916 122.820 0.097 0.000 1.825 725 A HA -0.186 4.134 4.320 -0.000 0.000 0.214 725 A C 2.110 179.765 177.584 0.118 0.000 1.206 725 A CA 1.543 53.630 52.037 0.084 0.000 0.609 725 A CB -0.735 18.299 19.000 0.056 0.000 0.851 725 A HN 0.230 nan 8.150 nan 0.000 0.445 726 R N -0.023 120.574 120.500 0.161 0.000 2.165 726 R HA -0.298 4.042 4.340 -0.000 0.000 0.254 726 R C 1.577 177.931 176.300 0.090 0.000 1.153 726 R CA 2.588 58.772 56.100 0.139 0.000 0.971 726 R CB -0.739 29.657 30.300 0.159 0.000 0.878 726 R HN 0.595 nan 8.270 nan 0.000 0.449 727 D N -0.173 120.301 120.400 0.123 0.000 2.077 727 D HA -0.198 4.442 4.640 -0.000 0.000 0.193 727 D C 1.846 178.295 176.300 0.248 0.000 0.989 727 D CA 2.156 56.270 54.000 0.190 0.000 0.831 727 D CB -0.148 40.786 40.800 0.222 0.000 0.979 727 D HN 0.457 nan 8.370 nan 0.000 0.449 728 K N 0.722 121.228 120.400 0.178 0.000 2.360 728 K HA 0.033 4.353 4.320 -0.000 0.000 0.201 728 K C 1.900 178.580 176.600 0.133 0.000 1.046 728 K CA 1.224 57.602 56.287 0.152 0.000 0.945 728 K CB -0.051 32.506 32.500 0.095 0.000 0.750 728 K HN 0.087 nan 8.250 nan 0.000 0.464 729 A N 1.497 124.385 122.820 0.112 0.000 1.930 729 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 729 A C 2.404 180.035 177.584 0.079 0.000 1.175 729 A CA 1.527 53.612 52.037 0.081 0.000 0.627 729 A CB -0.990 18.051 19.000 0.069 0.000 0.815 729 A HN 0.549 nan 8.150 nan 0.000 0.443 730 G N -1.076 107.780 108.800 0.093 0.000 2.395 730 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.214 730 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.214 730 G C 1.645 176.705 174.900 0.267 0.000 1.177 730 G CA 0.631 45.772 45.100 0.068 0.000 0.794 730 G HN 0.474 nan 8.290 nan 0.000 0.532 731 R N -0.226 120.539 120.500 0.442 0.000 2.185 731 R HA -0.051 4.289 4.340 -0.000 0.000 0.247 731 R C 2.468 178.874 176.300 0.177 0.000 1.159 731 R CA 0.873 57.173 56.100 0.334 0.000 0.988 731 R CB -0.289 30.113 30.300 0.169 0.000 0.871 731 R HN 0.371 nan 8.270 nan 0.000 0.458 732 L N -0.994 120.313 121.223 0.140 0.000 2.005 732 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 732 L C 2.612 179.534 176.870 0.086 0.000 1.072 732 L CA 1.348 56.242 54.840 0.089 0.000 0.744 732 L CB -0.649 41.452 42.059 0.070 0.000 0.895 732 L HN 0.253 nan 8.230 nan 0.000 0.433 733 A N -0.054 122.821 122.820 0.091 0.000 1.933 733 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 733 A C 2.220 179.863 177.584 0.099 0.000 1.175 733 A CA 1.763 53.846 52.037 0.077 0.000 0.628 733 A CB -0.588 18.447 19.000 0.058 0.000 0.814 733 A HN 0.502 nan 8.150 nan 0.000 0.444 734 E N -0.222 120.071 120.200 0.155 0.000 2.209 734 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 734 E C 1.164 177.828 176.600 0.107 0.000 0.993 734 E CA 1.541 58.045 56.400 0.174 0.000 0.819 734 E CB -0.042 29.836 29.700 0.296 0.000 0.745 734 E HN 0.365 nan 8.360 nan 0.000 0.477 735 V N 1.190 121.154 119.914 0.084 0.000 3.660 735 V HA 0.012 4.132 4.120 -0.000 0.000 0.276 735 V C 1.739 177.862 176.094 0.049 0.000 1.317 735 V CA 0.643 62.976 62.300 0.055 0.000 1.097 735 V CB 0.082 31.930 31.823 0.041 0.000 0.863 735 V HN 0.321 nan 8.190 nan 0.000 0.438 736 N N 0.428 119.161 118.700 0.054 0.000 2.325 736 N HA 0.118 4.858 4.740 -0.000 0.000 0.182 736 N C 0.468 176.005 175.510 0.045 0.000 1.088 736 N CA 0.058 53.135 53.050 0.045 0.000 0.879 736 N CB 0.408 38.920 38.487 0.042 0.000 0.983 736 N HN 0.374 nan 8.380 nan 0.000 0.471 737 L N 3.106 124.360 121.223 0.053 0.000 2.283 737 L HA 0.200 4.540 4.340 -0.000 0.000 0.287 737 L C 0.307 177.208 176.870 0.052 0.000 1.073 737 L CA -0.413 54.458 54.840 0.053 0.000 0.822 737 L CB 0.886 42.981 42.059 0.061 0.000 1.186 737 L HN -0.070 nan 8.230 nan 0.000 0.436 738 K N 2.044 122.472 120.400 0.047 0.000 2.397 738 K HA -0.035 4.285 4.320 -0.000 0.000 0.265 738 K C 0.161 176.794 176.600 0.054 0.000 0.982 738 K CA -0.418 55.897 56.287 0.046 0.000 0.931 738 K CB 0.571 33.096 32.500 0.041 0.000 0.943 738 K HN 0.410 nan 8.250 nan 0.000 0.501 739 D N 0.968 121.399 120.400 0.052 0.000 2.407 739 D HA -0.072 4.568 4.640 -0.000 0.000 0.234 739 D C 1.068 177.411 176.300 0.071 0.000 1.029 739 D CA 0.708 54.743 54.000 0.058 0.000 0.937 739 D CB -0.180 40.650 40.800 0.049 0.000 0.882 739 D HN 0.439 nan 8.370 nan 0.000 0.531 740 L N -2.684 118.582 121.223 0.072 0.000 2.609 740 L HA 0.286 4.626 4.340 -0.000 0.000 0.230 740 L C 0.526 177.452 176.870 0.094 0.000 1.087 740 L CA -0.299 54.590 54.840 0.083 0.000 0.874 740 L CB -0.640 41.457 42.059 0.064 0.000 1.114 740 L HN -0.277 nan 8.230 nan 0.000 0.488 741 N N 1.340 120.089 118.700 0.082 0.000 2.412 741 N HA -0.036 4.704 4.740 -0.000 0.000 0.258 741 N C 0.906 176.488 175.510 0.120 0.000 1.236 741 N CA 0.188 53.284 53.050 0.078 0.000 0.882 741 N CB 0.439 38.967 38.487 0.068 0.000 1.066 741 N HN 0.241 nan 8.380 nan 0.000 0.465 742 N N 2.550 121.313 118.700 0.105 0.000 2.039 742 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 742 N C 1.476 177.112 175.510 0.211 0.000 1.044 742 N CA 1.118 54.274 53.050 0.176 0.000 0.847 742 N CB -0.401 38.020 38.487 -0.111 0.000 1.030 742 N HN 0.307 nan 8.380 nan 0.000 0.422 743 V N 2.099 122.077 119.914 0.107 0.000 2.370 743 V HA -0.275 3.844 4.120 -0.000 0.000 0.252 743 V C 2.546 178.712 176.094 0.120 0.000 1.068 743 V CA 1.760 64.123 62.300 0.106 0.000 1.061 743 V CB -0.543 31.318 31.823 0.064 0.000 0.656 743 V HN 0.392 nan 8.190 nan 0.000 0.455 744 K N -0.367 120.101 120.400 0.114 0.000 2.025 744 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 744 K C 2.269 178.935 176.600 0.111 0.000 1.049 744 K CA 1.591 57.941 56.287 0.105 0.000 0.933 744 K CB -0.216 32.339 32.500 0.092 0.000 0.714 744 K HN 0.495 nan 8.250 nan 0.000 0.438 745 Q N 0.078 119.961 119.800 0.137 0.000 2.096 745 Q HA -0.226 4.114 4.340 -0.000 0.000 0.208 745 Q C 2.170 178.226 176.000 0.093 0.000 0.993 745 Q CA 2.400 58.275 55.803 0.119 0.000 0.862 745 Q CB -0.170 28.674 28.738 0.177 0.000 0.915 745 Q HN 0.444 nan 8.270 nan 0.000 0.416 746 M N -0.363 119.331 119.600 0.158 0.000 2.279 746 M HA -0.138 4.341 4.480 -0.000 0.000 0.264 746 M C 2.052 178.404 176.300 0.087 0.000 1.062 746 M CA 0.899 56.275 55.300 0.127 0.000 1.099 746 M CB 0.015 32.730 32.600 0.191 0.000 1.394 746 M HN 0.091 nan 8.290 nan 0.000 0.426 747 V N -0.053 119.916 119.914 0.091 0.000 2.591 747 V HA -0.179 3.941 4.120 -0.000 0.000 0.249 747 V C 2.237 178.368 176.094 0.061 0.000 1.053 747 V CA 1.244 63.592 62.300 0.080 0.000 1.068 747 V CB -0.475 31.405 31.823 0.095 0.000 0.689 747 V HN 0.479 nan 8.190 nan 0.000 0.462 748 M N 0.243 119.875 119.600 0.053 0.000 2.098 748 M HA -0.069 4.410 4.480 -0.000 0.000 0.262 748 M C 2.462 178.773 176.300 0.017 0.000 1.072 748 M CA 2.096 57.416 55.300 0.034 0.000 1.133 748 M CB -0.576 32.043 32.600 0.032 0.000 1.344 748 M HN 0.360 nan 8.290 nan 0.000 0.414 749 A N -0.122 122.702 122.820 0.007 0.000 1.972 749 A HA 0.075 4.395 4.320 -0.000 0.000 0.219 749 A C 1.823 179.409 177.584 0.004 0.000 1.169 749 A CA 1.687 53.718 52.037 -0.011 0.000 0.635 749 A CB -1.015 17.965 19.000 -0.035 0.000 0.810 749 A HN 0.734 nan 8.150 nan 0.000 0.446 750 G N -1.468 107.344 108.800 0.021 0.000 2.134 750 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.209 750 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.209 750 G C 1.027 175.947 174.900 0.033 0.000 0.993 750 G CA 1.123 46.241 45.100 0.029 0.000 0.669 750 G HN 1.439 nan 8.290 nan 0.000 0.519 751 S N -1.420 114.301 115.700 0.035 0.000 2.414 751 S HA 0.402 4.872 4.470 -0.000 0.000 0.227 751 S C 0.953 175.587 174.600 0.056 0.000 1.022 751 S CA 1.471 59.697 58.200 0.043 0.000 0.958 751 S CB 0.559 63.784 63.200 0.041 0.000 0.797 751 S HN 0.418 nan 8.310 nan 0.000 0.493 752 K N -0.253 120.185 120.400 0.063 0.000 2.642 752 K HA 0.518 4.838 4.320 -0.000 0.000 0.290 752 K C -0.094 176.546 176.600 0.065 0.000 1.006 752 K CA 0.239 56.563 56.287 0.062 0.000 0.869 752 K CB 1.168 33.710 32.500 0.070 0.000 1.499 752 K HN 0.502 nan 8.250 nan 0.000 0.403 753 G N 1.067 109.901 108.800 0.057 0.000 2.954 753 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.672 753 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.672 753 G C -0.254 174.689 174.900 0.073 0.000 1.598 753 G CA 0.285 45.421 45.100 0.060 0.000 1.063 753 G HN 1.073 nan 8.290 nan 0.000 0.584 754 S N 0.351 116.100 115.700 0.081 0.000 2.851 754 S HA 0.751 5.221 4.470 -0.000 0.000 0.313 754 S C 0.949 175.646 174.600 0.162 0.000 1.163 754 S CA 0.351 58.622 58.200 0.118 0.000 0.850 754 S CB 1.327 64.596 63.200 0.113 0.000 1.245 754 S HN 1.785 nan 8.310 nan 0.000 0.558 755 F N 1.677 121.648 119.950 0.035 0.000 2.021 755 F HA -0.150 4.377 4.527 -0.000 0.000 0.297 755 F C 2.055 177.879 175.800 0.040 0.000 1.152 755 F CA 1.937 59.959 58.000 0.036 0.000 1.201 755 F CB -0.789 38.229 39.000 0.031 0.000 0.951 755 F HN 0.495 nan 8.300 nan 0.000 0.504 756 I N 1.082 121.518 120.570 -0.224 0.000 2.182 756 I HA -0.439 3.731 4.170 -0.000 0.000 0.248 756 I C 2.243 178.244 176.117 -0.194 0.000 1.073 756 I CA 1.834 62.938 61.300 -0.327 0.000 1.335 756 I CB -1.636 36.307 38.000 -0.094 0.000 1.031 756 I HN 0.380 nan 8.210 nan 0.000 0.420 757 N N 1.003 119.664 118.700 -0.066 0.000 2.018 757 N HA -0.185 4.555 4.740 -0.000 0.000 0.196 757 N C 1.980 177.480 175.510 -0.016 0.000 1.043 757 N CA 1.573 54.618 53.050 -0.007 0.000 0.856 757 N CB -0.356 38.147 38.487 0.027 0.000 1.042 757 N HN 0.378 nan 8.380 nan 0.000 0.423 758 I N 1.576 122.130 120.570 -0.027 0.000 2.091 758 I HA -0.313 3.857 4.170 -0.000 0.000 0.239 758 I C 2.529 178.608 176.117 -0.063 0.000 1.061 758 I CA 1.365 62.659 61.300 -0.011 0.000 1.317 758 I CB -0.573 37.447 38.000 0.034 0.000 1.031 758 I HN 0.076 nan 8.210 nan 0.000 0.401 759 A N 0.404 123.105 122.820 -0.197 0.000 1.881 759 A HA -0.338 3.982 4.320 -0.000 0.000 0.219 759 A C 2.231 179.724 177.584 -0.151 0.000 1.215 759 A CA 2.269 54.163 52.037 -0.239 0.000 0.648 759 A CB -1.000 17.697 19.000 -0.504 0.000 0.832 759 A HN 0.575 nan 8.150 nan 0.000 0.455 760 Q N -1.389 118.335 119.800 -0.127 0.000 2.364 760 Q HA -0.048 4.292 4.340 -0.000 0.000 0.209 760 Q C 1.978 177.976 176.000 -0.004 0.000 0.977 760 Q CA 1.367 57.104 55.803 -0.109 0.000 0.885 760 Q CB -0.182 28.555 28.738 -0.002 0.000 0.941 760 Q HN 0.792 nan 8.270 nan 0.000 0.464 761 M N -1.500 118.154 119.600 0.090 0.000 2.657 761 M HA 0.019 4.499 4.480 -0.000 0.000 0.262 761 M C 1.928 178.260 176.300 0.055 0.000 1.213 761 M CA 0.697 56.090 55.300 0.157 0.000 1.182 761 M CB 0.489 33.167 32.600 0.131 0.000 1.303 761 M HN -0.018 nan 8.290 nan 0.000 0.501 762 S N 0.628 116.337 115.700 0.015 0.000 2.387 762 S HA 0.227 4.697 4.470 -0.000 0.000 0.221 762 S C 1.658 176.249 174.600 -0.015 0.000 1.041 762 S CA 0.749 58.953 58.200 0.006 0.000 0.959 762 S CB -0.038 63.171 63.200 0.015 0.000 0.843 762 S HN 0.433 nan 8.310 nan 0.000 0.488 763 A N 0.383 123.181 122.820 -0.038 0.000 3.280 763 A HA 0.499 4.819 4.320 -0.000 0.000 0.203 763 A C 0.723 178.255 177.584 -0.086 0.000 2.143 763 A CA 0.184 52.194 52.037 -0.044 0.000 1.168 763 A CB -0.739 18.244 19.000 -0.029 0.000 1.267 763 A HN 0.516 nan 8.150 nan 0.000 0.436 764 C N -0.553 118.681 119.300 -0.109 0.000 2.408 764 C HA 0.607 5.067 4.460 -0.000 0.000 0.321 764 C C 1.749 176.588 174.990 -0.251 0.000 1.245 764 C CA -0.410 58.507 59.018 -0.168 0.000 1.523 764 C CB 0.329 28.010 27.740 -0.099 0.000 2.178 764 C HN 0.559 nan 8.230 nan 0.000 0.488 765 V N 5.308 124.992 119.914 -0.384 0.000 2.220 765 V HA 0.272 4.392 4.120 -0.000 0.000 0.242 765 V C 1.529 177.418 176.094 -0.341 0.000 1.041 765 V CA 2.365 64.377 62.300 -0.480 0.000 0.990 765 V CB -1.186 30.246 31.823 -0.652 0.000 0.634 765 V HN 1.476 nan 8.190 nan 0.000 0.452 766 G N -1.143 107.416 108.800 -0.402 0.000 2.347 766 G HA2 0.233 4.193 3.960 -0.000 0.000 0.321 766 G HA3 0.233 4.193 3.960 -0.000 0.000 0.321 766 G C -1.194 173.599 174.900 -0.179 0.000 1.412 766 G CA -0.193 44.766 45.100 -0.235 0.000 0.990 766 G HN 0.485 nan 8.290 nan 0.000 0.637 767 Q N 0.262 120.133 119.800 0.118 0.000 2.281 767 Q HA 0.520 4.860 4.340 -0.000 0.000 0.267 767 Q C 0.452 176.513 176.000 0.101 0.000 1.053 767 Q CA 0.170 56.110 55.803 0.228 0.000 0.905 767 Q CB 0.784 29.715 28.738 0.321 0.000 1.195 767 Q HN 0.533 nan 8.270 nan 0.000 0.398 768 Q N 1.814 121.670 119.800 0.093 0.000 2.394 768 Q HA 0.497 4.837 4.340 -0.000 0.000 0.248 768 Q C -0.968 175.053 176.000 0.036 0.000 0.992 768 Q CA 0.331 56.187 55.803 0.088 0.000 0.888 768 Q CB 1.192 30.018 28.738 0.148 0.000 1.257 768 Q HN 0.826 nan 8.270 nan 0.000 0.462 769 S N -0.485 115.224 115.700 0.015 0.000 2.537 769 S HA 0.782 5.252 4.470 -0.000 0.000 0.270 769 S C -1.396 173.185 174.600 -0.032 0.000 1.142 769 S CA -0.944 57.243 58.200 -0.023 0.000 0.870 769 S CB 1.179 64.368 63.200 -0.020 0.000 1.112 769 S HN 0.233 nan 8.310 nan 0.000 0.466 770 V N 1.848 121.731 119.914 -0.052 0.000 2.482 770 V HA 0.551 4.671 4.120 -0.000 0.000 0.295 770 V C -0.103 175.961 176.094 -0.051 0.000 1.026 770 V CA -0.615 61.655 62.300 -0.050 0.000 0.856 770 V CB 0.579 32.368 31.823 -0.056 0.000 1.001 770 V HN 1.151 nan 8.190 nan 0.000 0.424 771 E N 3.507 123.683 120.200 -0.040 0.000 2.637 771 E HA -0.293 4.057 4.350 -0.000 0.000 0.265 771 E C 1.296 177.871 176.600 -0.041 0.000 1.073 771 E CA 0.702 57.080 56.400 -0.037 0.000 0.778 771 E CB -1.327 28.350 29.700 -0.038 0.000 1.362 771 E HN 1.516 nan 8.360 nan 0.000 0.413 772 G N 0.060 108.836 108.800 -0.040 0.000 3.329 772 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.220 772 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.220 772 G C 0.284 175.147 174.900 -0.061 0.000 1.358 772 G CA 0.450 45.524 45.100 -0.043 0.000 0.856 772 G HN 0.245 nan 8.290 nan 0.000 0.551 773 K N 2.885 123.240 120.400 -0.075 0.000 2.472 773 K HA 0.320 4.640 4.320 -0.000 0.000 0.280 773 K C 1.112 177.638 176.600 -0.124 0.000 1.028 773 K CA 0.046 56.270 56.287 -0.106 0.000 1.045 773 K CB 0.334 32.767 32.500 -0.111 0.000 0.902 773 K HN 0.579 nan 8.250 nan 0.000 0.478 774 R N 2.381 122.792 120.500 -0.148 0.000 2.817 774 R HA -0.001 4.339 4.340 -0.000 0.000 0.264 774 R C 0.525 176.700 176.300 -0.209 0.000 1.009 774 R CA -0.611 55.396 56.100 -0.155 0.000 1.133 774 R CB -0.012 30.188 30.300 -0.167 0.000 1.013 774 R HN 0.457 nan 8.270 nan 0.000 0.453 775 I N 1.100 121.533 120.570 -0.228 0.000 3.229 775 I HA -0.238 3.932 4.170 -0.000 0.000 0.341 775 I C 1.018 176.966 176.117 -0.282 0.000 1.181 775 I CA 0.879 62.012 61.300 -0.279 0.000 1.491 775 I CB -0.922 36.767 38.000 -0.519 0.000 1.281 775 I HN 0.765 nan 8.210 nan 0.000 0.524 776 A N 7.336 130.033 122.820 -0.205 0.000 2.263 776 A HA 0.587 4.907 4.320 -0.000 0.000 0.318 776 A C 0.056 177.635 177.584 -0.007 0.000 1.111 776 A CA -0.616 51.294 52.037 -0.212 0.000 0.901 776 A CB 0.481 19.394 19.000 -0.145 0.000 1.280 776 A HN 0.588 nan 8.150 nan 0.000 0.503 777 F N 1.174 121.097 119.950 -0.045 0.000 2.705 777 F HA 0.153 4.680 4.527 -0.000 0.000 0.355 777 F C 1.868 177.697 175.800 0.050 0.000 1.172 777 F CA -0.132 57.879 58.000 0.019 0.000 1.332 777 F CB -0.081 38.941 39.000 0.036 0.000 1.621 777 F HN 0.815 nan 8.300 nan 0.000 0.605 778 G N 0.633 109.542 108.800 0.182 0.000 2.450 778 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 778 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 778 G C 0.617 175.632 174.900 0.192 0.000 1.130 778 G CA 0.012 45.166 45.100 0.089 0.000 0.760 778 G HN 0.424 nan 8.290 nan 0.000 0.557 779 F N 1.732 121.734 119.950 0.087 0.000 2.451 779 F HA 0.292 4.819 4.527 -0.000 0.000 0.356 779 F C 0.545 176.343 175.800 -0.004 0.000 1.178 779 F CA -1.154 56.869 58.000 0.037 0.000 1.210 779 F CB 0.951 39.966 39.000 0.025 0.000 1.504 779 F HN -0.272 nan 8.300 nan 0.000 0.598 780 V N 5.241 125.265 119.914 0.185 0.000 4.090 780 V HA -0.330 3.790 4.120 -0.000 0.000 0.255 780 V C 0.244 176.289 176.094 -0.081 0.000 1.081 780 V CA 1.021 63.355 62.300 0.056 0.000 1.093 780 V CB -1.243 30.594 31.823 0.023 0.000 0.664 780 V HN 0.853 nan 8.190 nan 0.000 0.374 781 D N 2.667 122.947 120.400 -0.200 0.000 2.699 781 D HA -0.185 4.455 4.640 -0.000 0.000 0.239 781 D C 0.405 176.002 176.300 -1.171 0.000 1.136 781 D CA 1.655 55.209 54.000 -0.743 0.000 0.668 781 D CB -0.318 40.288 40.800 -0.324 0.000 1.060 781 D HN 1.095 nan 8.370 nan 0.000 0.429 782 R N -4.153 115.700 120.500 -1.078 0.000 3.176 782 R HA 0.324 4.664 4.340 -0.000 0.000 0.284 782 R C 0.248 176.729 176.300 0.302 0.000 0.985 782 R CA -0.791 55.106 56.100 -0.338 0.000 0.853 782 R CB 0.023 30.299 30.300 -0.039 0.000 1.309 782 R HN -0.189 nan 8.270 nan 0.000 0.528 783 T N 0.793 115.634 114.554 0.479 0.000 2.754 783 T HA 0.197 4.547 4.350 -0.000 0.000 0.238 783 T C 0.919 175.815 174.700 0.327 0.000 1.091 783 T CA 0.661 63.001 62.100 0.400 0.000 1.358 783 T CB -0.166 68.980 68.868 0.464 0.000 1.006 783 T HN 0.283 nan 8.240 nan 0.000 0.411 784 L N 1.657 123.038 121.223 0.263 0.000 2.416 784 L HA 0.310 4.650 4.340 -0.000 0.000 0.263 784 L C -1.394 175.643 176.870 0.278 0.000 1.065 784 L CA -2.092 52.810 54.840 0.104 0.000 0.798 784 L CB 0.572 42.340 42.059 -0.484 0.000 1.267 784 L HN 0.122 nan 8.230 nan 0.000 0.467 785 P HA -0.082 nan 4.420 nan 0.000 0.241 785 P C 0.602 178.007 177.300 0.175 0.000 1.191 785 P CA 1.102 64.251 63.100 0.080 0.000 0.771 785 P CB -0.052 31.609 31.700 -0.064 0.000 0.929 786 H N -1.315 117.658 119.070 -0.162 0.000 2.566 786 H HA 0.240 4.796 4.556 -0.000 0.000 0.280 786 H C 0.194 175.468 175.328 -0.089 0.000 1.042 786 H CA -0.347 55.583 56.048 -0.197 0.000 1.168 786 H CB -0.504 29.060 29.762 -0.330 0.000 1.340 786 H HN 0.196 nan 8.280 nan 0.000 0.597 787 F N 0.118 120.175 119.950 0.178 0.000 2.588 787 F HA 0.281 4.808 4.527 -0.000 0.000 0.314 787 F C 0.078 175.917 175.800 0.066 0.000 1.069 787 F CA -1.416 56.660 58.000 0.128 0.000 0.931 787 F CB 2.095 41.186 39.000 0.151 0.000 1.260 787 F HN -0.113 nan 8.300 nan 0.000 0.465 788 S N 2.115 117.967 115.700 0.253 0.000 2.523 788 S HA 0.184 4.654 4.470 -0.000 0.000 0.275 788 S C -0.262 174.377 174.600 0.066 0.000 1.281 788 S CA -0.862 57.407 58.200 0.116 0.000 1.050 788 S CB 0.730 63.981 63.200 0.085 0.000 0.937 788 S HN 0.404 nan 8.310 nan 0.000 0.492 789 K N 1.969 122.372 120.400 0.005 0.000 2.606 789 K HA -0.119 4.201 4.320 -0.000 0.000 0.279 789 K C -0.126 176.447 176.600 -0.045 0.000 0.961 789 K CA 0.760 57.002 56.287 -0.075 0.000 1.002 789 K CB -0.089 32.366 32.500 -0.076 0.000 0.871 789 K HN 0.651 nan 8.250 nan 0.000 0.508 790 D N 0.472 120.803 120.400 -0.115 0.000 2.772 790 D HA -0.170 4.470 4.640 -0.000 0.000 0.233 790 D C -0.615 175.852 176.300 0.279 0.000 1.143 790 D CA 0.966 55.044 54.000 0.129 0.000 0.700 790 D CB -0.712 40.152 40.800 0.107 0.000 1.076 790 D HN 0.464 nan 8.370 nan 0.000 0.430 791 D N -0.240 120.288 120.400 0.213 0.000 2.494 791 D HA 0.067 4.707 4.640 -0.000 0.000 0.217 791 D C 0.339 176.806 176.300 0.279 0.000 1.153 791 D CA -0.360 53.747 54.000 0.178 0.000 0.954 791 D CB 0.035 40.834 40.800 -0.001 0.000 1.034 791 D HN 0.201 nan 8.370 nan 0.000 0.518 792 Y N 1.280 121.686 120.300 0.177 0.000 2.561 792 Y HA -0.086 4.464 4.550 -0.000 0.000 0.291 792 Y C 1.742 177.712 175.900 0.118 0.000 1.141 792 Y CA 0.107 58.330 58.100 0.205 0.000 1.303 792 Y CB -0.304 38.335 38.460 0.299 0.000 1.015 792 Y HN 0.277 nan 8.280 nan 0.000 0.547 793 S N 1.697 117.506 115.700 0.181 0.000 2.549 793 S HA -0.067 4.403 4.470 -0.000 0.000 0.278 793 S C -1.219 173.397 174.600 0.027 0.000 1.344 793 S CA -0.712 57.541 58.200 0.088 0.000 1.025 793 S CB 0.685 63.903 63.200 0.029 0.000 0.851 793 S HN 0.140 nan 8.310 nan 0.000 0.530 794 P HA -0.094 nan 4.420 nan 0.000 0.217 794 P C 0.669 178.061 177.300 0.154 0.000 1.150 794 P CA 1.294 64.413 63.100 0.031 0.000 0.832 794 P CB -0.157 31.482 31.700 -0.101 0.000 0.787 795 E N -0.308 119.974 120.200 0.137 0.000 2.510 795 E HA -0.057 4.293 4.350 -0.000 0.000 0.202 795 E C 1.927 178.643 176.600 0.194 0.000 1.072 795 E CA 0.749 57.272 56.400 0.205 0.000 0.883 795 E CB -0.574 29.210 29.700 0.140 0.000 0.818 795 E HN 0.260 nan 8.360 nan 0.000 0.548 796 S N -0.855 114.870 115.700 0.042 0.000 2.741 796 S HA 0.072 4.542 4.470 -0.000 0.000 0.245 796 S C 1.315 175.976 174.600 0.101 0.000 1.083 796 S CA -0.290 57.900 58.200 -0.016 0.000 0.873 796 S CB 0.267 63.108 63.200 -0.598 0.000 0.814 796 S HN -0.081 nan 8.310 nan 0.000 0.476 797 K N 1.709 122.090 120.400 -0.031 0.000 2.525 797 K HA 0.227 4.547 4.320 -0.000 0.000 0.192 797 K C 0.754 177.225 176.600 -0.215 0.000 1.029 797 K CA 0.720 56.902 56.287 -0.175 0.000 1.029 797 K CB -0.194 32.194 32.500 -0.186 0.000 0.814 797 K HN 0.582 nan 8.250 nan 0.000 0.503 798 G N 1.997 110.757 108.800 -0.067 0.000 2.842 798 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.242 798 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.242 798 G C -0.863 174.207 174.900 0.283 0.000 1.135 798 G CA -0.583 44.585 45.100 0.114 0.000 1.048 798 G HN 0.240 nan 8.290 nan 0.000 0.530 799 F N 2.340 122.403 119.950 0.188 0.000 2.443 799 F HA 0.570 5.097 4.527 -0.000 0.000 0.369 799 F C 0.196 176.054 175.800 0.097 0.000 1.090 799 F CA -1.184 56.876 58.000 0.099 0.000 1.129 799 F CB 1.477 40.513 39.000 0.060 0.000 1.367 799 F HN 0.159 nan 8.300 nan 0.000 0.465 800 V N 6.948 126.604 119.914 -0.429 0.000 2.409 800 V HA -0.034 4.086 4.120 -0.000 0.000 0.270 800 V C 1.317 176.950 176.094 -0.768 0.000 1.019 800 V CA 0.597 62.629 62.300 -0.448 0.000 1.066 800 V CB 0.613 32.221 31.823 -0.359 0.000 1.021 800 V HN 0.905 nan 8.190 nan 0.000 0.476 801 E N 4.613 124.493 120.200 -0.532 0.000 2.076 801 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 801 E C 1.166 177.623 176.600 -0.238 0.000 0.979 801 E CA 0.284 56.460 56.400 -0.373 0.000 0.807 801 E CB 0.241 29.933 29.700 -0.013 0.000 0.761 801 E HN 0.780 nan 8.360 nan 0.000 0.454 802 N N 0.914 119.503 118.700 -0.186 0.000 2.207 802 N HA -0.054 4.686 4.740 -0.000 0.000 0.223 802 N C 0.093 175.467 175.510 -0.225 0.000 1.339 802 N CA 0.818 53.778 53.050 -0.150 0.000 0.889 802 N CB 0.631 39.053 38.487 -0.108 0.000 1.128 802 N HN 0.153 nan 8.380 nan 0.000 0.456 803 S N -1.372 114.222 115.700 -0.176 0.000 2.766 803 S HA 0.349 4.819 4.470 -0.000 0.000 0.307 803 S C 0.739 175.233 174.600 -0.177 0.000 1.121 803 S CA -0.699 57.374 58.200 -0.212 0.000 0.980 803 S CB 0.540 63.680 63.200 -0.099 0.000 1.159 803 S HN 0.552 nan 8.310 nan 0.000 0.546 804 Y N -0.376 119.888 120.300 -0.061 0.000 2.516 804 Y HA 0.034 4.584 4.550 -0.000 0.000 0.291 804 Y C 2.043 177.928 175.900 -0.025 0.000 1.131 804 Y CA 0.183 58.259 58.100 -0.041 0.000 1.281 804 Y CB 0.060 38.498 38.460 -0.036 0.000 1.013 804 Y HN 0.529 nan 8.280 nan 0.000 0.554 805 L N 0.349 121.640 121.223 0.113 0.000 2.095 805 L HA -0.074 4.266 4.340 -0.000 0.000 0.204 805 L C 2.130 179.023 176.870 0.038 0.000 1.080 805 L CA 1.543 56.420 54.840 0.062 0.000 0.759 805 L CB -0.541 41.539 42.059 0.036 0.000 0.914 805 L HN -0.024 nan 8.230 nan 0.000 0.439 806 R N -0.134 120.377 120.500 0.018 0.000 2.056 806 R HA 0.297 4.636 4.340 -0.000 0.000 0.227 806 R C 0.300 176.607 176.300 0.012 0.000 1.149 806 R CA 0.859 56.962 56.100 0.004 0.000 0.937 806 R CB -0.553 29.738 30.300 -0.016 0.000 0.835 806 R HN 0.501 nan 8.270 nan 0.000 0.430 807 G N 0.086 108.894 108.800 0.013 0.000 3.014 807 G HA2 -0.017 3.942 3.960 -0.000 0.000 0.683 807 G HA3 -0.017 3.942 3.960 -0.000 0.000 0.683 807 G C -1.141 173.764 174.900 0.010 0.000 1.271 807 G CA -1.100 44.019 45.100 0.032 0.000 0.843 807 G HN -0.008 nan 8.290 nan 0.000 0.612 808 L N 1.290 122.537 121.223 0.040 0.000 2.474 808 L HA 0.672 5.012 4.340 -0.000 0.000 0.259 808 L C 1.806 178.697 176.870 0.035 0.000 1.232 808 L CA 0.628 55.492 54.840 0.039 0.000 0.821 808 L CB 0.601 42.743 42.059 0.137 0.000 1.108 808 L HN 1.038 nan 8.230 nan 0.000 0.495 809 T N -2.529 112.044 114.554 0.032 0.000 2.944 809 T HA 0.451 4.801 4.350 -0.000 0.000 0.284 809 T C -2.013 172.712 174.700 0.040 0.000 1.010 809 T CA -1.912 60.200 62.100 0.019 0.000 1.025 809 T CB 1.541 70.419 68.868 0.016 0.000 1.079 809 T HN 0.354 nan 8.240 nan 0.000 0.516 810 P HA -0.183 nan 4.420 nan 0.000 0.217 810 P C 1.465 178.758 177.300 -0.012 0.000 1.158 810 P CA 1.487 64.621 63.100 0.056 0.000 0.887 810 P CB 0.029 31.750 31.700 0.035 0.000 0.792 811 Q N -0.531 119.150 119.800 -0.198 0.000 2.016 811 Q HA -0.144 4.195 4.340 -0.000 0.000 0.200 811 Q C 2.172 177.744 176.000 -0.713 0.000 0.978 811 Q CA 1.400 56.834 55.803 -0.615 0.000 0.833 811 Q CB -0.851 27.593 28.738 -0.491 0.000 0.895 811 Q HN 0.377 nan 8.270 nan 0.000 0.427 812 E N -0.151 119.890 120.200 -0.265 0.000 2.130 812 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 812 E C 1.710 178.322 176.600 0.019 0.000 0.998 812 E CA 0.994 57.338 56.400 -0.094 0.000 0.806 812 E CB -0.222 29.466 29.700 -0.022 0.000 0.738 812 E HN 0.251 nan 8.360 nan 0.000 0.459 813 F N 0.795 120.702 119.950 -0.073 0.000 2.060 813 F HA -0.176 4.351 4.527 -0.000 0.000 0.295 813 F C 2.098 177.944 175.800 0.076 0.000 1.120 813 F CA 1.284 59.304 58.000 0.033 0.000 1.205 813 F CB -0.566 38.453 39.000 0.032 0.000 0.986 813 F HN -0.077 nan 8.300 nan 0.000 0.470 814 F N 0.080 119.951 119.950 -0.132 0.000 2.161 814 F HA -0.248 4.279 4.527 -0.000 0.000 0.300 814 F C 2.152 177.945 175.800 -0.012 0.000 1.089 814 F CA 1.780 59.681 58.000 -0.165 0.000 1.282 814 F CB -0.598 38.342 39.000 -0.101 0.000 1.010 814 F HN 0.027 nan 8.300 nan 0.000 0.485 815 F N -1.373 118.698 119.950 0.201 0.000 2.075 815 F HA -0.277 4.249 4.527 -0.000 0.000 0.297 815 F C 2.618 178.424 175.800 0.011 0.000 1.113 815 F CA 0.965 59.040 58.000 0.126 0.000 1.218 815 F CB -0.935 38.150 39.000 0.142 0.000 0.984 815 F HN 0.035 nan 8.300 nan 0.000 0.472 816 H N 0.822 119.931 119.070 0.066 0.000 2.321 816 H HA -0.210 4.346 4.556 -0.000 0.000 0.295 816 H C 2.024 177.253 175.328 -0.165 0.000 1.102 816 H CA 1.453 57.470 56.048 -0.052 0.000 1.266 816 H CB -0.591 29.124 29.762 -0.077 0.000 1.363 816 H HN 0.208 nan 8.280 nan 0.000 0.492 817 A N 0.692 123.294 122.820 -0.363 0.000 1.837 817 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 817 A C 2.642 180.002 177.584 -0.374 0.000 1.210 817 A CA 2.350 54.075 52.037 -0.519 0.000 0.632 817 A CB -1.070 17.486 19.000 -0.741 0.000 0.843 817 A HN 0.538 nan 8.150 nan 0.000 0.448 818 M N -0.541 118.849 119.600 -0.350 0.000 2.128 818 M HA -0.249 4.231 4.480 -0.000 0.000 0.253 818 M C 2.149 178.369 176.300 -0.132 0.000 1.079 818 M CA 1.815 56.993 55.300 -0.204 0.000 1.082 818 M CB -0.865 31.704 32.600 -0.051 0.000 1.335 818 M HN 0.574 nan 8.290 nan 0.000 0.401 819 G N -0.513 108.228 108.800 -0.098 0.000 2.404 819 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.214 819 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.214 819 G C 1.516 176.345 174.900 -0.118 0.000 1.189 819 G CA 0.776 45.835 45.100 -0.068 0.000 0.789 819 G HN 0.557 nan 8.290 nan 0.000 0.533 820 G N 1.109 109.776 108.800 -0.221 0.000 2.446 820 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 820 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 820 G C 1.853 176.643 174.900 -0.183 0.000 1.168 820 G CA 1.438 46.385 45.100 -0.255 0.000 0.771 820 G HN 0.533 nan 8.290 nan 0.000 0.551 821 R N 0.933 121.315 120.500 -0.197 0.000 2.133 821 R HA -0.139 4.201 4.340 -0.000 0.000 0.247 821 R C 2.195 178.430 176.300 -0.108 0.000 1.151 821 R CA 2.238 58.245 56.100 -0.154 0.000 0.971 821 R CB -0.753 29.445 30.300 -0.169 0.000 0.866 821 R HN 0.512 nan 8.270 nan 0.000 0.447 822 E N -0.842 119.300 120.200 -0.096 0.000 2.077 822 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 822 E C 1.794 178.359 176.600 -0.059 0.000 0.989 822 E CA 1.235 57.594 56.400 -0.067 0.000 0.800 822 E CB -0.424 29.242 29.700 -0.056 0.000 0.746 822 E HN 0.580 nan 8.360 nan 0.000 0.452 823 G N 1.766 110.528 108.800 -0.063 0.000 2.628 823 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 823 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 823 G C 1.580 176.449 174.900 -0.051 0.000 1.240 823 G CA 1.124 46.193 45.100 -0.052 0.000 0.792 823 G HN 0.238 nan 8.290 nan 0.000 0.593 824 L N 0.147 121.332 121.223 -0.064 0.000 2.151 824 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 824 L C 2.835 179.676 176.870 -0.048 0.000 1.084 824 L CA 0.746 55.551 54.840 -0.058 0.000 0.764 824 L CB -0.395 41.621 42.059 -0.070 0.000 0.891 824 L HN 0.288 nan 8.230 nan 0.000 0.435 825 I N 0.272 120.812 120.570 -0.050 0.000 2.130 825 I HA -0.285 3.885 4.170 -0.000 0.000 0.232 825 I C 2.196 178.294 176.117 -0.032 0.000 1.064 825 I CA 1.707 62.983 61.300 -0.041 0.000 1.338 825 I CB -0.439 37.535 38.000 -0.042 0.000 1.084 825 I HN 0.373 nan 8.210 nan 0.000 0.404 826 D N -0.514 119.868 120.400 -0.030 0.000 2.271 826 D HA -0.210 4.430 4.640 -0.000 0.000 0.207 826 D C 1.843 178.130 176.300 -0.022 0.000 0.983 826 D CA 1.394 55.380 54.000 -0.023 0.000 0.878 826 D CB -0.903 39.884 40.800 -0.021 0.000 0.920 826 D HN 0.167 nan 8.370 nan 0.000 0.479 827 T N -0.603 113.936 114.554 -0.026 0.000 2.759 827 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 827 T C 1.904 176.591 174.700 -0.021 0.000 1.042 827 T CA 1.705 63.791 62.100 -0.024 0.000 1.140 827 T CB -0.449 68.402 68.868 -0.028 0.000 0.864 827 T HN 0.414 nan 8.240 nan 0.000 0.455 828 A N -0.003 122.803 122.820 -0.023 0.000 2.206 828 A HA 0.175 4.495 4.320 -0.000 0.000 0.211 828 A C 2.195 179.770 177.584 -0.015 0.000 1.158 828 A CA 0.654 52.679 52.037 -0.020 0.000 0.761 828 A CB -0.166 18.820 19.000 -0.022 0.000 0.801 828 A HN 0.420 nan 8.150 nan 0.000 0.473 829 V N -0.862 119.043 119.914 -0.015 0.000 2.490 829 V HA -0.010 4.110 4.120 -0.000 0.000 0.238 829 V C 1.867 177.959 176.094 -0.004 0.000 1.056 829 V CA 1.420 63.714 62.300 -0.010 0.000 1.075 829 V CB -0.579 31.237 31.823 -0.012 0.000 0.746 829 V HN 0.273 nan 8.190 nan 0.000 0.479 830 K N 0.398 120.795 120.400 -0.006 0.000 2.633 830 K HA -0.062 4.258 4.320 -0.000 0.000 0.193 830 K C 1.784 178.382 176.600 -0.003 0.000 1.033 830 K CA 1.048 57.334 56.287 -0.002 0.000 0.980 830 K CB -0.460 32.035 32.500 -0.007 0.000 0.800 830 K HN 0.444 nan 8.250 nan 0.000 0.493 831 T N -1.790 112.761 114.554 -0.004 0.000 3.018 831 T HA 0.240 4.590 4.350 -0.000 0.000 0.246 831 T C 1.459 176.161 174.700 0.005 0.000 1.026 831 T CA 0.585 62.682 62.100 -0.005 0.000 1.081 831 T CB 0.188 69.049 68.868 -0.012 0.000 0.970 831 T HN 0.186 nan 8.240 nan 0.000 0.475 832 A N 0.253 123.079 122.820 0.009 0.000 2.147 832 A HA 0.305 4.625 4.320 -0.000 0.000 0.211 832 A C 1.888 179.498 177.584 0.043 0.000 1.160 832 A CA 0.831 52.880 52.037 0.020 0.000 0.781 832 A CB -0.188 18.816 19.000 0.006 0.000 0.842 832 A HN 0.529 nan 8.150 nan 0.000 0.475 833 E N -1.026 119.198 120.200 0.040 0.000 2.190 833 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 833 E C 1.792 178.443 176.600 0.086 0.000 0.978 833 E CA 0.973 57.413 56.400 0.066 0.000 0.839 833 E CB 0.099 29.825 29.700 0.042 0.000 0.787 833 E HN 0.428 nan 8.360 nan 0.000 0.473 834 T N -0.206 114.376 114.554 0.048 0.000 2.746 834 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 834 T C 1.531 176.255 174.700 0.040 0.000 1.039 834 T CA 1.191 63.310 62.100 0.031 0.000 1.142 834 T CB -0.606 68.264 68.868 0.004 0.000 0.866 834 T HN 0.406 nan 8.240 nan 0.000 0.444 835 G N 0.263 109.093 108.800 0.050 0.000 2.739 835 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.216 835 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.216 835 G C 1.227 176.183 174.900 0.093 0.000 1.298 835 G CA 1.310 46.444 45.100 0.057 0.000 0.804 835 G HN 0.492 nan 8.290 nan 0.000 0.623 836 Y N 1.453 121.761 120.300 0.013 0.000 2.029 836 Y HA -0.270 4.280 4.550 -0.000 0.000 0.269 836 Y C 2.826 178.744 175.900 0.030 0.000 1.201 836 Y CA 2.014 60.135 58.100 0.034 0.000 1.115 836 Y CB -0.491 37.997 38.460 0.047 0.000 0.945 836 Y HN 0.234 nan 8.280 nan 0.000 0.497 837 I N -0.082 120.524 120.570 0.060 0.000 2.185 837 I HA -0.410 3.760 4.170 -0.000 0.000 0.246 837 I C 2.659 178.717 176.117 -0.099 0.000 1.088 837 I CA 1.900 63.181 61.300 -0.031 0.000 1.347 837 I CB -0.572 37.447 38.000 0.031 0.000 1.041 837 I HN 0.440 nan 8.210 nan 0.000 0.415 838 Q N 1.173 120.927 119.800 -0.076 0.000 2.016 838 Q HA -0.246 4.094 4.340 -0.000 0.000 0.200 838 Q C 2.377 178.290 176.000 -0.146 0.000 0.978 838 Q CA 1.622 57.367 55.803 -0.096 0.000 0.833 838 Q CB -0.217 28.479 28.738 -0.069 0.000 0.895 838 Q HN 0.417 nan 8.270 nan 0.000 0.427 839 R N 0.175 120.581 120.500 -0.158 0.000 2.096 839 R HA -0.183 4.157 4.340 -0.000 0.000 0.240 839 R C 2.411 178.520 176.300 -0.319 0.000 1.139 839 R CA 1.829 57.806 56.100 -0.204 0.000 0.952 839 R CB -0.095 30.105 30.300 -0.165 0.000 0.854 839 R HN 0.214 nan 8.270 nan 0.000 0.436 840 R N 0.353 120.621 120.500 -0.387 0.000 2.097 840 R HA -0.172 4.168 4.340 -0.000 0.000 0.236 840 R C 2.506 178.604 176.300 -0.338 0.000 1.135 840 R CA 2.100 57.966 56.100 -0.389 0.000 0.934 840 R CB -0.756 29.373 30.300 -0.285 0.000 0.846 840 R HN 0.252 nan 8.270 nan 0.000 0.431 841 L N 0.425 121.496 121.223 -0.252 0.000 2.051 841 L HA -0.278 4.062 4.340 -0.000 0.000 0.214 841 L C 2.433 179.135 176.870 -0.279 0.000 1.076 841 L CA 1.395 56.092 54.840 -0.238 0.000 0.758 841 L CB -0.653 41.310 42.059 -0.160 0.000 0.890 841 L HN 0.120 nan 8.230 nan 0.000 0.433 842 V N -0.824 118.937 119.914 -0.255 0.000 2.244 842 V HA -0.222 3.898 4.120 -0.000 0.000 0.244 842 V C 2.472 178.395 176.094 -0.285 0.000 1.042 842 V CA 1.464 63.624 62.300 -0.233 0.000 1.006 842 V CB -0.533 31.178 31.823 -0.187 0.000 0.641 842 V HN 0.331 nan 8.190 nan 0.000 0.446 843 K N 0.498 120.693 120.400 -0.342 0.000 2.286 843 K HA -0.104 4.216 4.320 -0.000 0.000 0.203 843 K C 1.948 178.301 176.600 -0.412 0.000 1.045 843 K CA 1.494 57.574 56.287 -0.345 0.000 0.935 843 K CB -0.690 31.481 32.500 -0.549 0.000 0.737 843 K HN 0.524 nan 8.250 nan 0.000 0.460 844 A N -0.072 122.311 122.820 -0.728 0.000 2.218 844 A HA 0.099 4.419 4.320 -0.000 0.000 0.209 844 A C 1.525 178.750 177.584 -0.598 0.000 1.168 844 A CA 0.399 51.689 52.037 -1.244 0.000 0.804 844 A CB 0.037 18.114 19.000 -1.538 0.000 0.834 844 A HN 0.231 nan 8.150 nan 0.000 0.482 845 L N -2.089 118.916 121.223 -0.363 0.000 3.360 845 L HA 0.174 4.514 4.340 -0.000 0.000 0.303 845 L C 1.273 178.048 176.870 -0.158 0.000 1.218 845 L CA -0.081 54.625 54.840 -0.223 0.000 1.059 845 L CB -0.320 41.628 42.059 -0.185 0.000 1.468 845 L HN 0.220 nan 8.230 nan 0.000 0.614 846 E N 2.099 122.205 120.200 -0.157 0.000 2.094 846 E HA -0.338 4.012 4.350 -0.000 0.000 0.232 846 E C 1.195 177.738 176.600 -0.095 0.000 1.055 846 E CA 2.353 58.684 56.400 -0.115 0.000 0.923 846 E CB -0.422 29.223 29.700 -0.091 0.000 0.815 846 E HN 0.618 nan 8.360 nan 0.000 0.502 847 D N 1.023 121.380 120.400 -0.072 0.000 2.397 847 D HA -0.166 4.474 4.640 -0.000 0.000 0.219 847 D C 0.486 176.753 176.300 -0.054 0.000 0.975 847 D CA 0.826 54.796 54.000 -0.049 0.000 0.940 847 D CB -0.599 40.190 40.800 -0.018 0.000 0.884 847 D HN 0.217 nan 8.370 nan 0.000 0.505 848 I N 0.789 121.313 120.570 -0.076 0.000 2.371 848 I HA 0.250 4.420 4.170 -0.000 0.000 0.290 848 I C 0.506 176.542 176.117 -0.134 0.000 1.028 848 I CA -0.497 60.754 61.300 -0.081 0.000 1.345 848 I CB 0.697 38.656 38.000 -0.068 0.000 1.407 848 I HN 0.059 nan 8.210 nan 0.000 0.501 849 M N 5.159 124.638 119.600 -0.201 0.000 2.622 849 M HA 0.581 5.061 4.480 -0.000 0.000 0.276 849 M C -1.774 174.289 176.300 -0.394 0.000 1.265 849 M CA -0.886 54.232 55.300 -0.303 0.000 0.850 849 M CB 2.202 34.597 32.600 -0.341 0.000 1.720 849 M HN 0.074 nan 8.290 nan 0.000 0.465 850 V N 3.075 122.771 119.914 -0.364 0.000 2.432 850 V HA 0.305 4.425 4.120 -0.000 0.000 0.271 850 V C 0.120 176.007 176.094 -0.346 0.000 1.046 850 V CA -0.287 61.850 62.300 -0.273 0.000 0.945 850 V CB 0.167 31.856 31.823 -0.223 0.000 0.992 850 V HN 0.715 nan 8.190 nan 0.000 0.471 851 H N 3.419 122.457 119.070 -0.053 0.000 2.544 851 H HA 0.183 4.739 4.556 -0.000 0.000 0.365 851 H C 0.712 176.044 175.328 0.007 0.000 1.268 851 H CA -0.192 55.822 56.048 -0.056 0.000 1.400 851 H CB 0.852 30.618 29.762 0.006 0.000 1.538 851 H HN 0.636 nan 8.280 nan 0.000 0.597 852 Y N 0.381 120.799 120.300 0.196 0.000 2.538 852 Y HA -0.233 4.317 4.550 -0.000 0.000 0.287 852 Y C 1.621 177.577 175.900 0.093 0.000 1.157 852 Y CA 0.981 59.151 58.100 0.117 0.000 1.338 852 Y CB 0.178 38.703 38.460 0.108 0.000 0.970 852 Y HN 0.637 nan 8.280 nan 0.000 0.564 853 D N -2.400 118.159 120.400 0.265 0.000 2.339 853 D HA -0.063 4.577 4.640 -0.000 0.000 0.217 853 D C 0.136 176.531 176.300 0.159 0.000 1.050 853 D CA 0.252 54.360 54.000 0.180 0.000 0.856 853 D CB -0.233 40.658 40.800 0.152 0.000 0.922 853 D HN 0.072 nan 8.370 nan 0.000 0.518 854 N N -0.841 117.957 118.700 0.164 0.000 2.921 854 N HA -0.152 4.587 4.740 -0.000 0.000 0.248 854 N C -0.992 174.610 175.510 0.154 0.000 1.118 854 N CA 0.944 54.076 53.050 0.136 0.000 0.740 854 N CB -1.624 36.934 38.487 0.119 0.000 1.091 854 N HN 0.392 nan 8.380 nan 0.000 0.553 855 T N -0.050 114.605 114.554 0.168 0.000 2.888 855 T HA 0.438 4.788 4.350 -0.000 0.000 0.284 855 T C -0.157 174.622 174.700 0.131 0.000 1.017 855 T CA 0.026 62.228 62.100 0.171 0.000 1.022 855 T CB 1.262 70.246 68.868 0.193 0.000 1.013 855 T HN 0.039 nan 8.240 nan 0.000 0.465 856 T N 5.965 120.571 114.554 0.087 0.000 2.832 856 T HA 0.480 4.830 4.350 -0.000 0.000 0.313 856 T C 0.054 174.774 174.700 0.033 0.000 1.035 856 T CA -0.442 61.688 62.100 0.050 0.000 0.950 856 T CB 0.074 68.989 68.868 0.078 0.000 0.984 856 T HN 0.493 nan 8.240 nan 0.000 0.486 857 R N 2.309 122.868 120.500 0.098 0.000 2.950 857 R HA 0.593 4.932 4.340 -0.000 0.000 0.253 857 R C 0.272 176.632 176.300 0.101 0.000 1.168 857 R CA -1.138 55.031 56.100 0.114 0.000 1.014 857 R CB 1.445 31.860 30.300 0.193 0.000 1.228 857 R HN 0.670 nan 8.270 nan 0.000 0.487 858 N N -1.752 116.998 118.700 0.084 0.000 3.061 858 N HA 0.129 4.869 4.740 -0.000 0.000 0.346 858 N C 0.420 175.977 175.510 0.078 0.000 1.392 858 N CA -0.568 52.518 53.050 0.059 0.000 0.762 858 N CB 1.014 39.513 38.487 0.020 0.000 1.367 858 N HN 0.456 nan 8.380 nan 0.000 0.607 859 S N -0.263 115.465 115.700 0.046 0.000 2.442 859 S HA -0.082 4.388 4.470 -0.000 0.000 0.236 859 S C 1.821 176.437 174.600 0.027 0.000 1.007 859 S CA 0.676 58.899 58.200 0.038 0.000 0.965 859 S CB -0.675 62.541 63.200 0.027 0.000 0.773 859 S HN 0.475 nan 8.310 nan 0.000 0.504 860 L N 0.528 121.767 121.223 0.026 0.000 2.162 860 L HA 0.273 4.613 4.340 -0.000 0.000 0.205 860 L C 2.151 179.023 176.870 0.004 0.000 1.086 860 L CA 0.829 55.680 54.840 0.017 0.000 0.778 860 L CB -0.708 41.365 42.059 0.024 0.000 0.928 860 L HN 0.613 nan 8.230 nan 0.000 0.446 861 G N -0.604 108.198 108.800 0.004 0.000 2.205 861 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.180 861 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.180 861 G C -0.250 174.645 174.900 -0.007 0.000 1.004 861 G CA -0.497 44.588 45.100 -0.025 0.000 0.670 861 G HN 0.303 nan 8.290 nan 0.000 0.496 862 N N 0.741 119.444 118.700 0.004 0.000 2.475 862 N HA 0.420 5.160 4.740 -0.000 0.000 0.267 862 N C 0.537 176.026 175.510 -0.035 0.000 1.169 862 N CA -0.065 52.981 53.050 -0.007 0.000 0.947 862 N CB 1.597 40.085 38.487 0.001 0.000 1.061 862 N HN 0.159 nan 8.380 nan 0.000 0.466 863 V N 3.369 123.232 119.914 -0.085 0.000 2.585 863 V HA 0.041 4.160 4.120 -0.000 0.000 0.296 863 V C 1.441 177.388 176.094 -0.246 0.000 1.035 863 V CA 0.330 62.505 62.300 -0.209 0.000 1.084 863 V CB 0.220 31.773 31.823 -0.450 0.000 0.953 863 V HN 0.652 nan 8.190 nan 0.000 0.483 864 I N 2.404 122.852 120.570 -0.203 0.000 4.032 864 I HA 0.225 4.395 4.170 -0.000 0.000 0.313 864 I C 0.620 176.629 176.117 -0.180 0.000 1.272 864 I CA 0.371 61.581 61.300 -0.150 0.000 1.307 864 I CB 0.360 38.318 38.000 -0.070 0.000 1.155 864 I HN 0.591 nan 8.210 nan 0.000 0.431 865 Q N -0.609 119.064 119.800 -0.212 0.000 2.320 865 Q HA 0.342 4.682 4.340 -0.000 0.000 0.272 865 Q C -0.551 175.345 176.000 -0.173 0.000 1.023 865 Q CA -0.477 55.238 55.803 -0.146 0.000 0.855 865 Q CB 2.568 31.303 28.738 -0.005 0.000 1.367 865 Q HN 0.001 nan 8.270 nan 0.000 0.406 866 F N 0.505 120.490 119.950 0.057 0.000 2.293 866 F HA 0.111 4.638 4.527 -0.000 0.000 0.297 866 F C 0.711 176.554 175.800 0.071 0.000 1.089 866 F CA 0.675 58.711 58.000 0.060 0.000 1.377 866 F CB 0.640 39.667 39.000 0.045 0.000 1.051 866 F HN 0.348 nan 8.300 nan 0.000 0.511 867 I N -0.856 119.854 120.570 0.232 0.000 2.468 867 I HA 0.103 4.272 4.170 -0.000 0.000 0.284 867 I C -0.825 175.376 176.117 0.141 0.000 1.038 867 I CA -1.307 60.094 61.300 0.170 0.000 1.083 867 I CB 0.642 38.721 38.000 0.132 0.000 1.223 867 I HN -0.102 nan 8.210 nan 0.000 0.443 868 Y N 7.083 127.408 120.300 0.043 0.000 2.887 868 Y HA 0.201 4.751 4.550 -0.000 0.000 0.350 868 Y C 1.466 177.384 175.900 0.030 0.000 1.294 868 Y CA 1.200 59.313 58.100 0.021 0.000 1.622 868 Y CB -0.071 38.392 38.460 0.004 0.000 1.201 868 Y HN 0.924 nan 8.280 nan 0.000 0.546 869 G N 4.491 112.972 108.800 -0.531 0.000 2.179 869 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.257 869 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.257 869 G C 0.350 175.180 174.900 -0.117 0.000 1.010 869 G CA 0.441 45.274 45.100 -0.444 0.000 0.736 869 G HN 0.957 nan 8.290 nan 0.000 0.513 870 E N -1.173 119.005 120.200 -0.036 0.000 2.722 870 E HA -0.270 4.080 4.350 -0.000 0.000 0.265 870 E C 0.906 177.498 176.600 -0.013 0.000 1.081 870 E CA 1.263 57.672 56.400 0.015 0.000 0.781 870 E CB -0.690 29.037 29.700 0.044 0.000 1.372 870 E HN 0.976 nan 8.360 nan 0.000 0.423 871 D N -2.436 117.947 120.400 -0.027 0.000 2.559 871 D HA 0.022 4.662 4.640 -0.000 0.000 0.431 871 D C 0.933 177.225 176.300 -0.013 0.000 1.221 871 D CA 0.488 54.476 54.000 -0.020 0.000 1.007 871 D CB -0.666 40.105 40.800 -0.048 0.000 1.539 871 D HN 0.336 nan 8.370 nan 0.000 0.407 872 G N 1.553 110.363 108.800 0.017 0.000 2.321 872 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.287 872 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.287 872 G C -0.021 174.903 174.900 0.041 0.000 1.018 872 G CA 1.089 46.239 45.100 0.082 0.000 0.855 872 G HN 0.405 nan 8.290 nan 0.000 0.507 873 M N 0.409 120.016 119.600 0.012 0.000 2.336 873 M HA 0.483 4.963 4.480 -0.000 0.000 0.342 873 M C -0.225 176.152 176.300 0.128 0.000 1.128 873 M CA -1.720 53.563 55.300 -0.030 0.000 1.016 873 M CB 1.601 34.133 32.600 -0.113 0.000 1.665 873 M HN 0.149 nan 8.290 nan 0.000 0.445 874 D N 2.937 123.426 120.400 0.148 0.000 2.325 874 D HA 0.383 5.023 4.640 -0.000 0.000 0.251 874 D C 0.939 177.345 176.300 0.176 0.000 1.196 874 D CA 0.285 54.426 54.000 0.236 0.000 0.866 874 D CB 1.043 42.003 40.800 0.268 0.000 1.101 874 D HN 0.720 nan 8.370 nan 0.000 0.476 875 A N 4.297 127.211 122.820 0.158 0.000 2.038 875 A HA -0.260 4.059 4.320 -0.000 0.000 0.224 875 A C 2.096 179.692 177.584 0.020 0.000 1.190 875 A CA 2.343 54.425 52.037 0.075 0.000 0.668 875 A CB -0.844 18.209 19.000 0.089 0.000 0.820 875 A HN 0.731 nan 8.150 nan 0.000 0.474 876 A N -1.910 120.881 122.820 -0.048 0.000 2.121 876 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 876 A C 1.226 178.645 177.584 -0.275 0.000 1.154 876 A CA 0.935 52.861 52.037 -0.186 0.000 0.679 876 A CB -0.493 18.328 19.000 -0.297 0.000 0.795 876 A HN 0.670 nan 8.150 nan 0.000 0.458 877 H N -0.283 118.802 119.070 0.025 0.000 2.499 877 H HA 0.489 5.045 4.556 -0.000 0.000 0.262 877 H C -0.910 174.413 175.328 -0.008 0.000 1.363 877 H CA -0.074 55.972 56.048 -0.003 0.000 1.072 877 H CB -0.367 29.358 29.762 -0.062 0.000 1.602 877 H HN 0.370 nan 8.280 nan 0.000 0.526 878 I N 0.548 121.184 120.570 0.110 0.000 2.692 878 I HA 0.295 4.465 4.170 -0.000 0.000 0.293 878 I C -0.562 175.650 176.117 0.157 0.000 1.200 878 I CA -0.734 60.629 61.300 0.105 0.000 1.036 878 I CB 2.850 40.900 38.000 0.083 0.000 1.258 878 I HN 0.059 nan 8.210 nan 0.000 0.421 879 E N 3.596 123.887 120.200 0.152 0.000 2.393 879 E HA 0.418 4.768 4.350 -0.000 0.000 0.273 879 E C -1.314 175.368 176.600 0.137 0.000 0.918 879 E CA -1.226 55.284 56.400 0.183 0.000 0.773 879 E CB 2.713 32.510 29.700 0.162 0.000 1.275 879 E HN 0.370 nan 8.360 nan 0.000 0.451 880 K N 2.399 122.866 120.400 0.111 0.000 2.278 880 K HA 0.081 4.401 4.320 -0.000 0.000 0.289 880 K C -0.225 176.406 176.600 0.051 0.000 1.080 880 K CA 0.133 56.450 56.287 0.050 0.000 0.934 880 K CB 0.321 32.805 32.500 -0.026 0.000 1.093 880 K HN 0.322 nan 8.250 nan 0.000 0.459 881 Q N 0.625 120.476 119.800 0.086 0.000 2.166 881 Q HA 0.326 4.665 4.340 -0.000 0.000 0.226 881 Q C -0.275 175.774 176.000 0.082 0.000 0.989 881 Q CA -0.821 55.037 55.803 0.090 0.000 0.966 881 Q CB 1.714 30.533 28.738 0.134 0.000 1.173 881 Q HN 0.569 nan 8.270 nan 0.000 0.509 882 S N -0.171 115.578 115.700 0.083 0.000 2.532 882 S HA 0.491 4.961 4.470 -0.000 0.000 0.299 882 S C -0.475 174.198 174.600 0.121 0.000 1.105 882 S CA -0.855 57.394 58.200 0.081 0.000 1.018 882 S CB 0.564 63.784 63.200 0.034 0.000 1.021 882 S HN 0.485 nan 8.310 nan 0.000 0.483 883 L N 3.648 124.968 121.223 0.161 0.000 2.387 883 L HA 0.255 4.595 4.340 -0.000 0.000 0.267 883 L C 0.812 177.758 176.870 0.126 0.000 1.197 883 L CA -0.519 54.418 54.840 0.162 0.000 1.070 883 L CB -0.221 41.971 42.059 0.222 0.000 1.349 883 L HN 0.784 nan 8.230 nan 0.000 0.422 884 D N 0.800 121.271 120.400 0.117 0.000 2.157 884 D HA -0.213 4.427 4.640 -0.000 0.000 0.191 884 D C 1.694 178.056 176.300 0.103 0.000 1.004 884 D CA 1.938 56.010 54.000 0.120 0.000 0.854 884 D CB 0.116 41.020 40.800 0.173 0.000 0.936 884 D HN 0.499 nan 8.370 nan 0.000 0.446 885 T N 1.336 115.930 114.554 0.068 0.000 2.802 885 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 885 T C 2.081 176.841 174.700 0.101 0.000 1.062 885 T CA 0.500 62.616 62.100 0.028 0.000 1.133 885 T CB -0.053 68.816 68.868 0.001 0.000 0.852 885 T HN 0.229 nan 8.240 nan 0.000 0.485 886 I N 0.313 120.939 120.570 0.094 0.000 2.188 886 I HA 0.038 4.208 4.170 -0.000 0.000 0.237 886 I C 2.129 178.291 176.117 0.074 0.000 1.073 886 I CA 0.700 62.050 61.300 0.084 0.000 1.359 886 I CB -0.894 37.161 38.000 0.092 0.000 1.083 886 I HN 0.297 nan 8.210 nan 0.000 0.412 887 G N -0.242 108.586 108.800 0.047 0.000 2.466 887 G HA2 0.324 4.284 3.960 -0.000 0.000 0.279 887 G HA3 0.324 4.284 3.960 -0.000 0.000 0.279 887 G C 0.159 175.127 174.900 0.113 0.000 1.410 887 G CA 0.324 45.449 45.100 0.043 0.000 1.065 887 G HN 0.671 nan 8.290 nan 0.000 0.547 888 G N -1.687 107.178 108.800 0.108 0.000 2.915 888 G HA2 0.214 4.174 3.960 -0.000 0.000 0.686 888 G HA3 0.214 4.174 3.960 -0.000 0.000 0.686 888 G C 0.390 175.374 174.900 0.140 0.000 1.414 888 G CA 0.507 45.682 45.100 0.125 0.000 1.053 888 G HN 1.988 nan 8.290 nan 0.000 0.598 889 S N 0.634 116.406 115.700 0.119 0.000 2.572 889 S HA 0.181 4.651 4.470 -0.000 0.000 0.267 889 S C 1.178 175.844 174.600 0.110 0.000 1.361 889 S CA 0.622 58.883 58.200 0.101 0.000 1.009 889 S CB 1.238 64.487 63.200 0.082 0.000 0.888 889 S HN 0.668 nan 8.310 nan 0.000 0.553 890 D N 1.117 121.557 120.400 0.067 0.000 2.144 890 D HA -0.091 4.549 4.640 -0.000 0.000 0.199 890 D C 2.100 178.474 176.300 0.124 0.000 0.984 890 D CA 1.498 55.525 54.000 0.045 0.000 0.834 890 D CB -0.499 40.304 40.800 0.004 0.000 0.955 890 D HN 0.685 nan 8.370 nan 0.000 0.465 891 A N 1.558 124.446 122.820 0.113 0.000 1.827 891 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 891 A C 2.435 180.118 177.584 0.166 0.000 1.212 891 A CA 2.681 54.793 52.037 0.125 0.000 0.624 891 A CB -1.268 17.785 19.000 0.088 0.000 0.853 891 A HN 0.235 nan 8.150 nan 0.000 0.450 892 A N -1.294 121.611 122.820 0.142 0.000 1.954 892 A HA -0.272 4.047 4.320 -0.000 0.000 0.222 892 A C 2.067 179.765 177.584 0.191 0.000 1.199 892 A CA 2.302 54.420 52.037 0.137 0.000 0.657 892 A CB -1.064 18.006 19.000 0.116 0.000 0.823 892 A HN 0.909 nan 8.150 nan 0.000 0.463 893 F N 0.388 120.385 119.950 0.079 0.000 2.045 893 F HA -0.290 4.237 4.527 -0.000 0.000 0.297 893 F C 2.297 178.194 175.800 0.162 0.000 1.114 893 F CA 2.640 60.685 58.000 0.075 0.000 1.207 893 F CB -0.373 38.619 39.000 -0.013 0.000 0.964 893 F HN 0.455 nan 8.300 nan 0.000 0.486 894 E N 0.279 120.751 120.200 0.454 0.000 2.058 894 E HA -0.328 4.022 4.350 -0.000 0.000 0.194 894 E C 2.209 178.918 176.600 0.182 0.000 0.997 894 E CA 1.539 58.181 56.400 0.403 0.000 0.801 894 E CB -0.331 29.584 29.700 0.358 0.000 0.746 894 E HN 0.410 nan 8.360 nan 0.000 0.450 895 K N 0.249 120.712 120.400 0.105 0.000 2.442 895 K HA -0.200 4.120 4.320 -0.000 0.000 0.199 895 K C 2.013 178.597 176.600 -0.027 0.000 1.044 895 K CA 1.056 57.347 56.287 0.006 0.000 0.941 895 K CB 0.078 32.584 32.500 0.010 0.000 0.759 895 K HN -0.018 nan 8.250 nan 0.000 0.472 896 R N -1.412 119.087 120.500 -0.002 0.000 2.144 896 R HA 0.045 4.385 4.340 -0.000 0.000 0.195 896 R C 1.141 177.298 176.300 -0.239 0.000 1.077 896 R CA 0.326 56.358 56.100 -0.113 0.000 1.120 896 R CB 0.148 30.420 30.300 -0.048 0.000 1.060 896 R HN 0.145 nan 8.270 nan 0.000 0.520 897 Y N 0.213 120.333 120.300 -0.300 0.000 2.478 897 Y HA 0.265 4.815 4.550 -0.000 0.000 0.261 897 Y C 0.388 176.315 175.900 0.045 0.000 1.127 897 Y CA -0.202 57.738 58.100 -0.266 0.000 1.288 897 Y CB 0.114 38.195 38.460 -0.632 0.000 1.084 897 Y HN -0.149 nan 8.280 nan 0.000 0.530 898 R N 1.295 122.006 120.500 0.352 0.000 2.267 898 R HA 0.447 4.787 4.340 -0.000 0.000 0.319 898 R C -1.496 174.886 176.300 0.136 0.000 1.067 898 R CA -0.216 56.129 56.100 0.408 0.000 0.936 898 R CB 0.124 30.611 30.300 0.313 0.000 1.006 898 R HN -0.079 nan 8.270 nan 0.000 0.452 899 V N 4.788 124.772 119.914 0.117 0.000 2.531 899 V HA 0.320 4.439 4.120 -0.000 0.000 0.301 899 V C -0.993 175.123 176.094 0.035 0.000 1.034 899 V CA -0.742 61.588 62.300 0.050 0.000 0.865 899 V CB 1.931 33.774 31.823 0.034 0.000 0.995 899 V HN 0.745 nan 8.190 nan 0.000 0.424 900 D N 4.090 124.517 120.400 0.045 0.000 2.375 900 D HA 0.346 4.986 4.640 -0.000 0.000 0.259 900 D C 0.788 177.104 176.300 0.027 0.000 1.235 900 D CA -0.336 53.684 54.000 0.033 0.000 0.924 900 D CB 1.477 42.316 40.800 0.065 0.000 1.143 900 D HN 0.412 nan 8.370 nan 0.000 0.529 901 L N 2.282 123.510 121.223 0.009 0.000 2.549 901 L HA -0.012 4.328 4.340 -0.000 0.000 0.230 901 L C 1.258 178.127 176.870 -0.001 0.000 1.162 901 L CA 0.771 55.613 54.840 0.003 0.000 0.834 901 L CB -0.091 41.965 42.059 -0.004 0.000 0.947 901 L HN 0.365 nan 8.230 nan 0.000 0.452 902 L N -0.416 120.803 121.223 -0.006 0.000 3.073 902 L HA 0.297 4.637 4.340 -0.000 0.000 0.242 902 L C -0.076 176.782 176.870 -0.020 0.000 1.317 902 L CA 0.018 54.849 54.840 -0.015 0.000 1.081 902 L CB -0.529 41.517 42.059 -0.023 0.000 1.456 902 L HN 0.223 nan 8.230 nan 0.000 0.525 903 N N -1.410 117.286 118.700 -0.005 0.000 2.521 903 N HA 0.102 4.842 4.740 -0.000 0.000 0.269 903 N C 0.408 175.930 175.510 0.020 0.000 1.079 903 N CA -0.223 52.821 53.050 -0.010 0.000 0.980 903 N CB 1.764 40.228 38.487 -0.037 0.000 1.667 903 N HN -0.129 nan 8.380 nan 0.000 0.498 904 T N 0.675 115.236 114.554 0.011 0.000 2.759 904 T HA -0.108 4.242 4.350 -0.000 0.000 0.269 904 T C 0.387 175.118 174.700 0.052 0.000 1.042 904 T CA 1.274 63.388 62.100 0.023 0.000 1.140 904 T CB -0.105 68.770 68.868 0.012 0.000 0.864 904 T HN 0.553 nan 8.240 nan 0.000 0.455 905 D N -0.540 119.918 120.400 0.097 0.000 2.398 905 D HA 0.070 4.710 4.640 -0.000 0.000 0.210 905 D C 0.470 176.958 176.300 0.313 0.000 1.094 905 D CA 0.342 54.447 54.000 0.176 0.000 0.839 905 D CB 0.247 41.162 40.800 0.191 0.000 0.963 905 D HN 0.398 nan 8.370 nan 0.000 0.506 906 H N -0.647 118.416 119.070 -0.012 0.000 2.567 906 H HA 0.290 4.845 4.556 -0.000 0.000 0.267 906 H C -0.089 175.230 175.328 -0.016 0.000 1.148 906 H CA -0.130 55.910 56.048 -0.013 0.000 1.031 906 H CB 0.605 30.356 29.762 -0.018 0.000 1.691 906 H HN -0.178 nan 8.280 nan 0.000 0.588 907 T N 0.530 115.129 114.554 0.075 0.000 2.948 907 T HA 0.444 4.794 4.350 -0.000 0.000 0.285 907 T C 0.124 174.824 174.700 -0.000 0.000 1.019 907 T CA -0.789 61.328 62.100 0.029 0.000 1.013 907 T CB 1.066 69.947 68.868 0.021 0.000 1.117 907 T HN 0.106 nan 8.240 nan 0.000 0.533 908 L N 2.647 123.863 121.223 -0.012 0.000 2.361 908 L HA 0.234 4.574 4.340 -0.000 0.000 0.278 908 L C 0.853 177.710 176.870 -0.021 0.000 1.113 908 L CA -0.485 54.339 54.840 -0.027 0.000 0.849 908 L CB 0.142 42.180 42.059 -0.035 0.000 1.155 908 L HN 0.609 nan 8.230 nan 0.000 0.452 909 D N 7.048 127.435 120.400 -0.022 0.000 2.450 909 D HA 0.011 4.651 4.640 -0.000 0.000 0.247 909 D C -1.339 174.950 176.300 -0.017 0.000 1.162 909 D CA -1.282 52.708 54.000 -0.015 0.000 0.879 909 D CB 1.580 42.371 40.800 -0.015 0.000 1.163 909 D HN 0.349 nan 8.370 nan 0.000 0.472 910 P HA -0.175 nan 4.420 nan 0.000 0.227 910 P C 1.096 178.389 177.300 -0.013 0.000 1.145 910 P CA 0.730 63.821 63.100 -0.014 0.000 0.769 910 P CB 0.012 31.706 31.700 -0.011 0.000 0.769 911 S N -1.583 114.110 115.700 -0.011 0.000 2.515 911 S HA -0.035 4.435 4.470 -0.000 0.000 0.231 911 S C 1.801 176.396 174.600 -0.009 0.000 0.987 911 S CA 0.459 58.654 58.200 -0.007 0.000 0.936 911 S CB -1.097 62.100 63.200 -0.004 0.000 0.766 911 S HN 0.142 nan 8.310 nan 0.000 0.528 912 L N -0.418 120.795 121.223 -0.017 0.000 2.296 912 L HA 0.424 4.763 4.340 -0.000 0.000 0.193 912 L C 0.811 177.664 176.870 -0.029 0.000 1.123 912 L CA -0.150 54.676 54.840 -0.023 0.000 0.805 912 L CB -0.480 41.558 42.059 -0.035 0.000 1.004 912 L HN 0.287 nan 8.230 nan 0.000 0.478 913 L N 0.537 121.739 121.223 -0.034 0.000 2.371 913 L HA 0.093 4.433 4.340 -0.000 0.000 0.272 913 L C 1.149 178.001 176.870 -0.031 0.000 1.124 913 L CA 0.456 55.272 54.840 -0.040 0.000 0.816 913 L CB 0.895 42.927 42.059 -0.046 0.000 1.129 913 L HN 0.193 nan 8.230 nan 0.000 0.448 914 E N 1.101 121.282 120.200 -0.032 0.000 2.051 914 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 914 E C 0.756 177.342 176.600 -0.023 0.000 0.991 914 E CA 1.365 57.751 56.400 -0.024 0.000 0.799 914 E CB 0.150 29.835 29.700 -0.025 0.000 0.748 914 E HN 0.819 nan 8.360 nan 0.000 0.449 915 S N -0.410 115.274 115.700 -0.028 0.000 2.699 915 S HA 0.257 4.727 4.470 -0.000 0.000 0.251 915 S C 1.119 175.705 174.600 -0.024 0.000 1.179 915 S CA -0.209 57.976 58.200 -0.025 0.000 1.200 915 S CB 0.685 63.869 63.200 -0.028 0.000 0.848 915 S HN 0.346 nan 8.310 nan 0.000 0.472 916 G N 3.310 112.096 108.800 -0.022 0.000 2.575 916 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 916 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 916 G C 1.726 176.617 174.900 -0.016 0.000 1.262 916 G CA 1.096 46.184 45.100 -0.021 0.000 0.807 916 G HN 0.763 nan 8.290 nan 0.000 0.567 917 S N 1.739 117.432 115.700 -0.013 0.000 2.374 917 S HA -0.212 4.258 4.470 -0.000 0.000 0.227 917 S C 2.004 176.598 174.600 -0.010 0.000 1.037 917 S CA 2.022 60.216 58.200 -0.010 0.000 1.024 917 S CB -0.651 62.544 63.200 -0.008 0.000 0.861 917 S HN 0.743 nan 8.310 nan 0.000 0.456 918 E N 0.555 120.748 120.200 -0.012 0.000 2.505 918 E HA 0.194 4.544 4.350 -0.000 0.000 0.197 918 E C 1.402 177.994 176.600 -0.013 0.000 1.111 918 E CA 0.392 56.785 56.400 -0.012 0.000 0.887 918 E CB -0.360 29.332 29.700 -0.012 0.000 0.913 918 E HN 0.670 nan 8.360 nan 0.000 0.517 919 I N 0.038 120.600 120.570 -0.014 0.000 3.883 919 I HA 0.084 4.253 4.170 -0.000 0.000 0.305 919 I C 0.985 177.095 176.117 -0.012 0.000 1.247 919 I CA -0.493 60.798 61.300 -0.015 0.000 1.350 919 I CB 0.497 38.485 38.000 -0.019 0.000 1.194 919 I HN 0.223 nan 8.210 nan 0.000 0.441 920 L N 2.281 123.498 121.223 -0.010 0.000 2.720 920 L HA -0.126 4.214 4.340 -0.000 0.000 0.289 920 L C 1.284 178.149 176.870 -0.008 0.000 1.232 920 L CA 1.361 56.196 54.840 -0.008 0.000 0.915 920 L CB 0.200 42.255 42.059 -0.006 0.000 1.184 920 L HN 0.602 nan 8.230 nan 0.000 0.491 921 G N 2.608 111.403 108.800 -0.008 0.000 2.304 921 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.252 921 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.252 921 G C 0.391 175.285 174.900 -0.010 0.000 1.014 921 G CA 0.296 45.390 45.100 -0.010 0.000 0.619 921 G HN 0.811 nan 8.290 nan 0.000 0.525 922 D N 1.290 121.684 120.400 -0.010 0.000 2.455 922 D HA 0.122 4.762 4.640 -0.000 0.000 0.265 922 D C 1.903 178.197 176.300 -0.010 0.000 1.284 922 D CA 0.161 54.155 54.000 -0.010 0.000 0.944 922 D CB 0.025 40.819 40.800 -0.011 0.000 1.121 922 D HN 0.328 nan 8.370 nan 0.000 0.525 923 L N 4.002 125.219 121.223 -0.010 0.000 2.083 923 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 923 L C 2.483 179.348 176.870 -0.008 0.000 1.083 923 L CA 0.994 55.828 54.840 -0.009 0.000 0.752 923 L CB -0.171 41.883 42.059 -0.010 0.000 0.899 923 L HN 0.388 nan 8.230 nan 0.000 0.433 924 K N -0.155 120.240 120.400 -0.008 0.000 2.209 924 K HA -0.148 4.171 4.320 -0.000 0.000 0.204 924 K C 2.028 178.624 176.600 -0.006 0.000 1.048 924 K CA 0.999 57.282 56.287 -0.007 0.000 0.940 924 K CB 0.005 32.500 32.500 -0.007 0.000 0.729 924 K HN 0.326 nan 8.250 nan 0.000 0.451 925 L N 0.392 121.611 121.223 -0.007 0.000 2.049 925 L HA -0.130 4.210 4.340 -0.000 0.000 0.203 925 L C 2.334 179.202 176.870 -0.002 0.000 1.074 925 L CA 0.767 55.602 54.840 -0.007 0.000 0.749 925 L CB -0.479 41.574 42.059 -0.011 0.000 0.907 925 L HN 0.151 nan 8.230 nan 0.000 0.439 926 Q N 0.062 119.860 119.800 -0.003 0.000 2.458 926 Q HA -0.170 4.170 4.340 -0.000 0.000 0.215 926 Q C 2.041 178.043 176.000 0.003 0.000 0.989 926 Q CA 1.098 56.900 55.803 -0.001 0.000 0.895 926 Q CB -0.374 28.359 28.738 -0.008 0.000 0.934 926 Q HN 0.401 nan 8.270 nan 0.000 0.475 927 V N -0.275 119.641 119.914 0.003 0.000 2.379 927 V HA -0.178 3.942 4.120 -0.000 0.000 0.243 927 V C 2.326 178.430 176.094 0.016 0.000 1.035 927 V CA 0.900 63.204 62.300 0.007 0.000 1.035 927 V CB -0.466 31.359 31.823 0.003 0.000 0.673 927 V HN 0.256 nan 8.190 nan 0.000 0.457 928 L N -0.494 120.737 121.223 0.013 0.000 2.012 928 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 928 L C 2.567 179.457 176.870 0.032 0.000 1.073 928 L CA 1.268 56.118 54.840 0.017 0.000 0.748 928 L CB -0.588 41.476 42.059 0.007 0.000 0.891 928 L HN 0.306 nan 8.230 nan 0.000 0.431 929 L N -0.065 121.176 121.223 0.030 0.000 2.012 929 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 929 L C 2.285 179.205 176.870 0.084 0.000 1.073 929 L CA 2.003 56.873 54.840 0.049 0.000 0.748 929 L CB -0.997 41.080 42.059 0.031 0.000 0.891 929 L HN 0.365 nan 8.230 nan 0.000 0.431 930 D N -0.709 119.726 120.400 0.059 0.000 2.144 930 D HA -0.184 4.455 4.640 -0.000 0.000 0.200 930 D C 2.030 178.397 176.300 0.111 0.000 0.978 930 D CA 0.764 54.808 54.000 0.073 0.000 0.833 930 D CB 0.188 41.003 40.800 0.025 0.000 0.961 930 D HN 0.398 nan 8.370 nan 0.000 0.470 931 E N 0.786 121.031 120.200 0.074 0.000 2.058 931 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 931 E C 1.960 178.612 176.600 0.086 0.000 0.997 931 E CA 1.095 57.534 56.400 0.065 0.000 0.801 931 E CB 0.067 29.790 29.700 0.038 0.000 0.746 931 E HN 0.317 nan 8.360 nan 0.000 0.450 932 E N -0.381 119.876 120.200 0.095 0.000 2.049 932 E HA -0.272 4.078 4.350 -0.000 0.000 0.198 932 E C 2.017 178.703 176.600 0.143 0.000 1.007 932 E CA 1.439 57.898 56.400 0.098 0.000 0.809 932 E CB -0.363 29.395 29.700 0.096 0.000 0.749 932 E HN 0.383 nan 8.360 nan 0.000 0.450 933 Y N 1.122 121.465 120.300 0.072 0.000 2.145 933 Y HA -0.187 4.363 4.550 -0.000 0.000 0.286 933 Y C 2.275 178.235 175.900 0.100 0.000 1.145 933 Y CA 2.080 60.245 58.100 0.109 0.000 1.148 933 Y CB 0.067 38.593 38.460 0.110 0.000 0.981 933 Y HN -0.036 nan 8.280 nan 0.000 0.507 934 K N -0.479 120.095 120.400 0.290 0.000 2.160 934 K HA -0.293 4.027 4.320 -0.000 0.000 0.206 934 K C 2.084 178.733 176.600 0.081 0.000 1.047 934 K CA 1.655 58.047 56.287 0.176 0.000 0.930 934 K CB -0.158 32.409 32.500 0.112 0.000 0.720 934 K HN 0.291 nan 8.250 nan 0.000 0.450 935 Q N 1.180 121.015 119.800 0.058 0.000 1.994 935 Q HA -0.052 4.288 4.340 -0.000 0.000 0.198 935 Q C 1.871 177.863 176.000 -0.013 0.000 0.976 935 Q CA 1.432 57.241 55.803 0.009 0.000 0.828 935 Q CB -0.318 28.423 28.738 0.005 0.000 0.894 935 Q HN 0.253 nan 8.270 nan 0.000 0.432 936 L N -0.235 120.978 121.223 -0.017 0.000 2.197 936 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 936 L C 2.193 179.055 176.870 -0.013 0.000 1.095 936 L CA 0.903 55.723 54.840 -0.033 0.000 0.764 936 L CB -0.628 41.376 42.059 -0.091 0.000 0.897 936 L HN 0.127 nan 8.230 nan 0.000 0.436 937 V N -0.246 119.634 119.914 -0.056 0.000 2.535 937 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 937 V C 2.546 178.588 176.094 -0.087 0.000 1.045 937 V CA 1.478 63.695 62.300 -0.138 0.000 1.058 937 V CB -0.354 31.414 31.823 -0.091 0.000 0.689 937 V HN 0.426 nan 8.190 nan 0.000 0.461 938 K N 0.279 120.658 120.400 -0.035 0.000 2.103 938 K HA -0.260 4.060 4.320 -0.000 0.000 0.207 938 K C 1.702 178.304 176.600 0.003 0.000 1.048 938 K CA 2.114 58.392 56.287 -0.016 0.000 0.930 938 K CB -0.210 32.280 32.500 -0.018 0.000 0.716 938 K HN 0.427 nan 8.250 nan 0.000 0.444 939 D N 0.341 120.729 120.400 -0.020 0.000 2.088 939 D HA -0.185 4.455 4.640 -0.000 0.000 0.191 939 D C 1.924 178.252 176.300 0.048 0.000 0.992 939 D CA 1.317 55.319 54.000 0.004 0.000 0.831 939 D CB -0.227 40.558 40.800 -0.025 0.000 0.973 939 D HN 0.149 nan 8.370 nan 0.000 0.447 940 R N 0.831 121.317 120.500 -0.023 0.000 2.179 940 R HA -0.220 4.120 4.340 -0.000 0.000 0.238 940 R C 1.992 178.280 176.300 -0.019 0.000 1.119 940 R CA 1.928 57.995 56.100 -0.055 0.000 0.915 940 R CB -0.065 30.098 30.300 -0.229 0.000 0.870 940 R HN 0.005 nan 8.270 nan 0.000 0.432 941 K N -0.251 120.128 120.400 -0.036 0.000 2.044 941 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 941 K C 2.069 178.664 176.600 -0.009 0.000 1.049 941 K CA 1.910 58.182 56.287 -0.026 0.000 0.927 941 K CB -0.890 31.594 32.500 -0.026 0.000 0.713 941 K HN 0.298 nan 8.250 nan 0.000 0.443 942 F N 2.035 121.926 119.950 -0.098 0.000 2.120 942 F HA -0.201 4.326 4.527 -0.000 0.000 0.300 942 F C 2.016 177.719 175.800 -0.161 0.000 1.095 942 F CA 1.363 59.290 58.000 -0.122 0.000 1.249 942 F CB -0.177 38.749 39.000 -0.123 0.000 0.995 942 F HN -0.100 nan 8.300 nan 0.000 0.480 943 L N -0.027 121.204 121.223 0.013 0.000 2.056 943 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 943 L C 2.371 179.142 176.870 -0.166 0.000 1.078 943 L CA 1.186 55.954 54.840 -0.119 0.000 0.749 943 L CB -0.808 41.283 42.059 0.054 0.000 0.901 943 L HN 0.040 nan 8.230 nan 0.000 0.433 944 R N 0.160 120.623 120.500 -0.062 0.000 2.377 944 R HA -0.114 4.226 4.340 -0.000 0.000 0.207 944 R C 1.545 177.794 176.300 -0.085 0.000 1.075 944 R CA 0.628 56.733 56.100 0.008 0.000 1.035 944 R CB -0.048 30.284 30.300 0.054 0.000 0.857 944 R HN 0.540 nan 8.270 nan 0.000 0.475 945 E N -0.523 119.527 120.200 -0.251 0.000 2.244 945 E HA -0.007 4.343 4.350 -0.000 0.000 0.196 945 E C 1.719 178.079 176.600 -0.400 0.000 0.939 945 E CA 0.194 56.405 56.400 -0.315 0.000 0.884 945 E CB 0.551 30.005 29.700 -0.410 0.000 0.850 945 E HN 0.013 nan 8.360 nan 0.000 0.481 946 V N 0.545 120.092 119.914 -0.612 0.000 2.379 946 V HA -0.051 4.069 4.120 -0.000 0.000 0.243 946 V C 0.774 176.585 176.094 -0.472 0.000 1.035 946 V CA 1.167 63.040 62.300 -0.712 0.000 1.035 946 V CB -0.073 31.061 31.823 -1.147 0.000 0.673 946 V HN 0.134 nan 8.190 nan 0.000 0.457 947 F N 0.093 119.871 119.950 -0.287 0.000 2.318 947 F HA 0.309 4.836 4.527 -0.000 0.000 0.356 947 F C 1.070 176.839 175.800 -0.052 0.000 1.109 947 F CA -0.628 57.262 58.000 -0.183 0.000 1.234 947 F CB 0.862 39.751 39.000 -0.185 0.000 1.545 947 F HN -0.128 nan 8.300 nan 0.000 0.534 948 V N 0.314 120.307 119.914 0.132 0.000 2.626 948 V HA -0.239 3.881 4.120 -0.000 0.000 0.252 948 V C 1.894 178.110 176.094 0.202 0.000 1.067 948 V CA 1.421 63.799 62.300 0.130 0.000 1.081 948 V CB -0.361 31.492 31.823 0.050 0.000 0.686 948 V HN 0.653 nan 8.190 nan 0.000 0.468 949 D N 0.733 121.232 120.400 0.165 0.000 2.133 949 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 949 D C 1.982 178.317 176.300 0.058 0.000 0.997 949 D CA 2.175 56.250 54.000 0.124 0.000 0.840 949 D CB -0.030 40.824 40.800 0.090 0.000 0.947 949 D HN 0.602 nan 8.370 nan 0.000 0.452 950 G N 0.686 109.424 108.800 -0.104 0.000 2.201 950 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.212 950 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.212 950 G C 0.236 174.931 174.900 -0.342 0.000 0.994 950 G CA 0.284 44.949 45.100 -0.726 0.000 0.644 950 G HN 0.323 nan 8.290 nan 0.000 0.508 951 E N 1.064 121.196 120.200 -0.113 0.000 2.417 951 E HA 0.588 4.938 4.350 -0.000 0.000 0.261 951 E C 0.995 177.624 176.600 0.048 0.000 1.000 951 E CA 0.907 57.240 56.400 -0.111 0.000 0.919 951 E CB 0.786 30.380 29.700 -0.176 0.000 0.955 951 E HN 0.858 nan 8.360 nan 0.000 0.455 952 A N 5.176 127.969 122.820 -0.044 0.000 2.503 952 A HA 0.179 4.499 4.320 -0.000 0.000 0.263 952 A C -0.209 177.394 177.584 0.031 0.000 1.258 952 A CA -0.463 51.642 52.037 0.115 0.000 0.936 952 A CB 0.052 19.091 19.000 0.065 0.000 1.070 952 A HN 0.518 nan 8.150 nan 0.000 0.522 953 N N 0.244 118.719 118.700 -0.376 0.000 2.444 953 N HA 0.447 5.187 4.740 -0.000 0.000 0.262 953 N C -1.600 173.400 175.510 -0.851 0.000 0.974 953 N CA 0.155 52.964 53.050 -0.403 0.000 0.933 953 N CB 0.854 39.127 38.487 -0.357 0.000 1.137 953 N HN 0.437 nan 8.380 nan 0.000 0.498 954 W N 1.710 122.934 121.300 -0.128 0.000 3.029 954 W HA 0.422 5.082 4.660 -0.000 0.000 0.339 954 W C -2.146 174.364 176.519 -0.014 0.000 1.198 954 W CA -1.672 55.599 57.345 -0.123 0.000 1.148 954 W CB 0.893 30.259 29.460 -0.156 0.000 1.451 954 W HN 0.264 nan 8.180 nan 0.000 0.564 955 P HA 0.274 nan 4.420 nan 0.000 0.276 955 P C -0.952 176.463 177.300 0.193 0.000 1.253 955 P CA 0.501 63.723 63.100 0.204 0.000 0.766 955 P CB 0.972 32.807 31.700 0.225 0.000 0.845 956 L N 5.718 127.037 121.223 0.159 0.000 2.482 956 L HA 0.421 4.761 4.340 -0.000 0.000 0.263 956 L C -2.416 174.493 176.870 0.064 0.000 0.957 956 L CA -2.616 52.304 54.840 0.134 0.000 0.836 956 L CB 3.422 45.619 42.059 0.229 0.000 1.324 956 L HN 0.162 nan 8.230 nan 0.000 0.406 957 P HA 0.070 nan 4.420 nan 0.000 0.269 957 P C -0.407 176.810 177.300 -0.139 0.000 1.209 957 P CA 0.240 63.236 63.100 -0.175 0.000 0.776 957 P CB 1.316 32.769 31.700 -0.412 0.000 0.876 958 V N 0.362 120.244 119.914 -0.054 0.000 3.765 958 V HA -0.205 3.915 4.120 -0.000 0.000 0.447 958 V C 0.477 176.640 176.094 0.114 0.000 0.680 958 V CA 0.097 62.426 62.300 0.049 0.000 1.894 958 V CB -1.756 30.165 31.823 0.164 0.000 2.321 958 V HN 0.897 nan 8.190 nan 0.000 0.492 959 N N 4.540 123.271 118.700 0.051 0.000 2.416 959 N HA 0.258 4.998 4.740 -0.000 0.000 0.265 959 N C 0.849 176.371 175.510 0.020 0.000 1.195 959 N CA 0.208 53.282 53.050 0.039 0.000 0.943 959 N CB 0.806 39.288 38.487 -0.007 0.000 1.115 959 N HN 0.682 nan 8.380 nan 0.000 0.481 960 I N 3.034 123.624 120.570 0.034 0.000 2.400 960 I HA -0.086 4.084 4.170 -0.000 0.000 0.248 960 I C 2.368 178.439 176.117 -0.077 0.000 1.109 960 I CA 0.177 61.463 61.300 -0.024 0.000 1.425 960 I CB -0.156 37.835 38.000 -0.014 0.000 1.094 960 I HN 0.572 nan 8.210 nan 0.000 0.425 961 R N 1.548 122.017 120.500 -0.050 0.000 2.133 961 R HA -0.218 4.122 4.340 -0.000 0.000 0.247 961 R C 2.242 178.482 176.300 -0.099 0.000 1.151 961 R CA 1.783 57.840 56.100 -0.072 0.000 0.971 961 R CB -0.093 30.191 30.300 -0.028 0.000 0.866 961 R HN 0.340 nan 8.270 nan 0.000 0.447 962 R N -0.185 120.269 120.500 -0.076 0.000 2.090 962 R HA 0.068 4.408 4.340 -0.000 0.000 0.219 962 R C 2.410 178.666 176.300 -0.073 0.000 1.100 962 R CA 0.824 56.877 56.100 -0.079 0.000 0.991 962 R CB -0.308 29.964 30.300 -0.047 0.000 0.893 962 R HN 0.255 nan 8.270 nan 0.000 0.443 963 I N 1.195 121.718 120.570 -0.079 0.000 2.502 963 I HA -0.301 3.869 4.170 -0.000 0.000 0.258 963 I C 1.713 177.784 176.117 -0.077 0.000 1.172 963 I CA 1.375 62.614 61.300 -0.102 0.000 1.430 963 I CB 0.135 38.047 38.000 -0.147 0.000 1.086 963 I HN 0.205 nan 8.210 nan 0.000 0.440 964 I N -0.394 120.105 120.570 -0.119 0.000 2.556 964 I HA -0.204 3.966 4.170 -0.000 0.000 0.251 964 I C 2.301 178.376 176.117 -0.070 0.000 1.105 964 I CA 0.538 61.753 61.300 -0.141 0.000 1.436 964 I CB -0.317 37.453 38.000 -0.383 0.000 1.139 964 I HN 0.178 nan 8.210 nan 0.000 0.438 965 Q N 0.899 120.618 119.800 -0.134 0.000 2.217 965 Q HA -0.237 4.103 4.340 -0.000 0.000 0.209 965 Q C 1.749 177.694 176.000 -0.092 0.000 0.988 965 Q CA 1.505 57.181 55.803 -0.213 0.000 0.878 965 Q CB -0.183 28.280 28.738 -0.458 0.000 0.909 965 Q HN 0.559 nan 8.270 nan 0.000 0.424 966 N N 0.148 118.884 118.700 0.059 0.000 2.220 966 N HA -0.048 4.692 4.740 -0.000 0.000 0.182 966 N C 1.759 177.413 175.510 0.239 0.000 1.023 966 N CA 1.054 54.218 53.050 0.190 0.000 0.856 966 N CB -0.387 38.296 38.487 0.326 0.000 0.997 966 N HN 0.181 nan 8.380 nan 0.000 0.429 967 A N 2.486 125.571 122.820 0.443 0.000 1.940 967 A HA -0.251 4.069 4.320 -0.000 0.000 0.221 967 A C 2.070 179.763 177.584 0.181 0.000 1.190 967 A CA 1.412 53.693 52.037 0.407 0.000 0.647 967 A CB -0.561 18.654 19.000 0.359 0.000 0.821 967 A HN 0.278 nan 8.150 nan 0.000 0.457 968 Q N -0.437 119.426 119.800 0.106 0.000 1.328 968 Q HA -0.280 4.060 4.340 -0.000 0.000 0.642 968 Q C 2.141 178.181 176.000 0.066 0.000 0.962 968 Q CA 1.916 57.761 55.803 0.069 0.000 0.880 968 Q CB -0.965 27.811 28.738 0.063 0.000 0.929 968 Q HN 0.972 nan 8.270 nan 0.000 0.333 969 Q N 0.084 119.918 119.800 0.057 0.000 2.592 969 Q HA -0.111 4.229 4.340 -0.000 0.000 0.219 969 Q C 1.362 177.193 176.000 -0.281 0.000 0.984 969 Q CA 1.714 57.495 55.803 -0.037 0.000 0.911 969 Q CB -0.427 28.355 28.738 0.074 0.000 0.962 969 Q HN 0.238 nan 8.270 nan 0.000 0.532 970 T N -0.404 114.033 114.554 -0.194 0.000 3.043 970 T HA 0.066 4.416 4.350 -0.000 0.000 0.263 970 T C -0.143 174.140 174.700 -0.694 0.000 1.094 970 T CA 0.604 62.429 62.100 -0.458 0.000 1.127 970 T CB 0.035 68.562 68.868 -0.569 0.000 0.905 970 T HN 0.380 nan 8.240 nan 0.000 0.490 971 F N 0.269 119.996 119.950 -0.372 0.000 2.791 971 F HA 0.344 4.871 4.527 -0.000 0.000 0.316 971 F C 0.430 176.162 175.800 -0.112 0.000 1.134 971 F CA -1.182 56.674 58.000 -0.240 0.000 1.222 971 F CB -0.287 38.604 39.000 -0.182 0.000 1.034 971 F HN 0.108 nan 8.300 nan 0.000 0.516 972 H N 0.509 119.619 119.070 0.066 0.000 2.458 972 H HA -0.201 4.355 4.556 -0.000 0.000 0.322 972 H C 0.738 176.083 175.328 0.027 0.000 1.038 972 H CA 0.524 56.594 56.048 0.037 0.000 1.120 972 H CB -1.332 28.438 29.762 0.012 0.000 1.489 972 H HN 0.327 nan 8.280 nan 0.000 0.399 973 I N 2.786 123.413 120.570 0.095 0.000 2.828 973 I HA -0.128 4.042 4.170 -0.000 0.000 0.292 973 I C 0.946 177.010 176.117 -0.089 0.000 1.206 973 I CA 0.551 61.852 61.300 0.002 0.000 1.420 973 I CB 0.310 38.282 38.000 -0.047 0.000 1.368 973 I HN 0.202 nan 8.210 nan 0.000 0.556 974 D N 6.692 127.059 120.400 -0.055 0.000 2.280 974 D HA 0.038 4.678 4.640 -0.000 0.000 0.243 974 D C 0.870 177.125 176.300 -0.074 0.000 1.129 974 D CA -0.391 53.580 54.000 -0.048 0.000 0.848 974 D CB 0.766 41.579 40.800 0.021 0.000 1.107 974 D HN 0.462 nan 8.370 nan 0.000 0.471 975 H N 1.533 120.635 119.070 0.053 0.000 2.557 975 H HA -0.104 4.452 4.556 -0.000 0.000 0.287 975 H C 1.569 176.912 175.328 0.026 0.000 1.043 975 H CA 1.510 57.582 56.048 0.040 0.000 1.226 975 H CB -0.035 29.753 29.762 0.042 0.000 1.361 975 H HN 0.666 nan 8.280 nan 0.000 0.592 976 T N -1.028 113.592 114.554 0.109 0.000 2.754 976 T HA -0.026 4.324 4.350 -0.000 0.000 0.238 976 T C 1.116 175.840 174.700 0.040 0.000 1.091 976 T CA -0.185 61.956 62.100 0.068 0.000 1.358 976 T CB 0.122 69.022 68.868 0.054 0.000 1.006 976 T HN 0.073 nan 8.240 nan 0.000 0.411 977 K N 2.924 123.340 120.400 0.026 0.000 2.457 977 K HA 0.142 4.462 4.320 -0.000 0.000 0.269 977 K C -2.190 174.415 176.600 0.008 0.000 0.969 977 K CA -0.883 55.412 56.287 0.014 0.000 0.921 977 K CB -0.181 32.326 32.500 0.011 0.000 0.940 977 K HN 0.431 nan 8.250 nan 0.000 0.517 978 P HA 0.030 nan 4.420 nan 0.000 0.279 978 P C -0.376 176.915 177.300 -0.015 0.000 1.252 978 P CA -0.405 62.691 63.100 -0.008 0.000 0.811 978 P CB 1.537 33.231 31.700 -0.010 0.000 1.035 979 S N 0.263 115.948 115.700 -0.025 0.000 2.632 979 S HA 0.099 4.569 4.470 -0.000 0.000 0.254 979 S C 0.445 175.022 174.600 -0.038 0.000 1.291 979 S CA 0.246 58.425 58.200 -0.036 0.000 0.974 979 S CB -0.303 62.866 63.200 -0.052 0.000 1.016 979 S HN 0.689 nan 8.310 nan 0.000 0.579 980 D N 0.277 120.647 120.400 -0.050 0.000 2.881 980 D HA 0.164 4.804 4.640 -0.000 0.000 0.325 980 D C -0.657 175.602 176.300 -0.068 0.000 1.621 980 D CA -0.193 53.779 54.000 -0.047 0.000 0.785 980 D CB -0.943 39.839 40.800 -0.031 0.000 1.233 980 D HN 0.325 nan 8.370 nan 0.000 0.447 981 L N 0.921 122.084 121.223 -0.100 0.000 2.325 981 L HA 0.433 4.773 4.340 -0.000 0.000 0.279 981 L C 0.593 177.388 176.870 -0.126 0.000 1.054 981 L CA -0.414 54.337 54.840 -0.149 0.000 0.804 981 L CB 1.750 43.660 42.059 -0.248 0.000 1.200 981 L HN -0.169 nan 8.230 nan 0.000 0.436 982 T N 1.790 116.273 114.554 -0.119 0.000 2.882 982 T HA 0.299 4.649 4.350 -0.000 0.000 0.287 982 T C 1.541 176.174 174.700 -0.111 0.000 1.014 982 T CA -0.451 61.595 62.100 -0.089 0.000 1.049 982 T CB 1.408 70.237 68.868 -0.066 0.000 1.001 982 T HN 0.414 nan 8.240 nan 0.000 0.525 983 I N 0.635 121.155 120.570 -0.083 0.000 2.546 983 I HA -0.079 4.091 4.170 -0.000 0.000 0.255 983 I C 2.526 178.598 176.117 -0.074 0.000 1.163 983 I CA 1.112 62.363 61.300 -0.082 0.000 1.457 983 I CB -0.200 37.769 38.000 -0.052 0.000 1.092 983 I HN 0.648 nan 8.210 nan 0.000 0.434 984 K N 0.578 120.942 120.400 -0.061 0.000 2.288 984 K HA -0.147 4.173 4.320 -0.000 0.000 0.201 984 K C 1.467 178.033 176.600 -0.056 0.000 1.048 984 K CA 0.899 57.159 56.287 -0.045 0.000 0.956 984 K CB 0.134 32.614 32.500 -0.033 0.000 0.746 984 K HN 0.218 nan 8.250 nan 0.000 0.461 985 D N 0.899 121.243 120.400 -0.094 0.000 2.077 985 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 985 D C 1.884 178.087 176.300 -0.162 0.000 0.983 985 D CA 0.923 54.850 54.000 -0.120 0.000 0.841 985 D CB -0.222 40.470 40.800 -0.180 0.000 0.992 985 D HN 0.070 nan 8.370 nan 0.000 0.450 986 I N 0.850 121.233 120.570 -0.312 0.000 2.110 986 I HA -0.343 3.827 4.170 -0.000 0.000 0.226 986 I C 2.515 178.610 176.117 -0.037 0.000 1.001 986 I CA 1.185 62.272 61.300 -0.355 0.000 1.309 986 I CB -0.556 37.252 38.000 -0.321 0.000 1.022 986 I HN -0.086 nan 8.210 nan 0.000 0.384 987 V N 0.903 120.802 119.914 -0.026 0.000 2.527 987 V HA -0.298 3.822 4.120 -0.000 0.000 0.255 987 V C 2.194 178.304 176.094 0.028 0.000 1.081 987 V CA 1.759 64.070 62.300 0.019 0.000 1.092 987 V CB -0.685 31.143 31.823 0.007 0.000 0.673 987 V HN 0.404 nan 8.190 nan 0.000 0.470 988 L N -0.144 121.089 121.223 0.017 0.000 2.375 988 L HA 0.119 4.459 4.340 -0.000 0.000 0.215 988 L C 2.392 179.287 176.870 0.042 0.000 1.108 988 L CA 1.065 55.917 54.840 0.020 0.000 0.830 988 L CB -0.526 41.536 42.059 0.005 0.000 0.959 988 L HN 0.458 nan 8.230 nan 0.000 0.457 989 G N -1.108 107.746 108.800 0.091 0.000 2.595 989 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.213 989 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.213 989 G C 1.508 176.475 174.900 0.110 0.000 1.141 989 G CA 0.183 45.360 45.100 0.128 0.000 0.806 989 G HN 0.087 nan 8.290 nan 0.000 0.530 990 V N 0.680 120.681 119.914 0.144 0.000 2.358 990 V HA -0.102 4.018 4.120 -0.000 0.000 0.246 990 V C 2.667 178.761 176.094 0.001 0.000 1.047 990 V CA 2.163 64.508 62.300 0.077 0.000 1.035 990 V CB -0.232 31.664 31.823 0.121 0.000 0.658 990 V HN 0.352 nan 8.190 nan 0.000 0.452 991 K N -0.528 119.877 120.400 0.008 0.000 2.097 991 K HA -0.195 4.124 4.320 -0.000 0.000 0.205 991 K C 1.985 178.567 176.600 -0.030 0.000 1.050 991 K CA 1.391 57.666 56.287 -0.020 0.000 0.938 991 K CB -0.191 32.302 32.500 -0.011 0.000 0.718 991 K HN 0.399 nan 8.250 nan 0.000 0.442 992 D N 0.630 121.021 120.400 -0.014 0.000 2.178 992 D HA -0.146 4.494 4.640 -0.000 0.000 0.202 992 D C 1.873 178.146 176.300 -0.045 0.000 0.974 992 D CA 0.572 54.559 54.000 -0.022 0.000 0.841 992 D CB 0.195 40.994 40.800 -0.002 0.000 0.953 992 D HN 0.122 nan 8.370 nan 0.000 0.478 993 L N 1.393 122.581 121.223 -0.057 0.000 1.994 993 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 993 L C 2.300 179.097 176.870 -0.123 0.000 1.071 993 L CA 1.730 56.513 54.840 -0.094 0.000 0.745 993 L CB -0.763 41.224 42.059 -0.120 0.000 0.892 993 L HN -0.015 nan 8.230 nan 0.000 0.431 994 Q N -0.610 119.115 119.800 -0.125 0.000 2.133 994 Q HA -0.254 4.086 4.340 -0.000 0.000 0.208 994 Q C 1.971 177.895 176.000 -0.127 0.000 0.991 994 Q CA 1.727 57.445 55.803 -0.142 0.000 0.867 994 Q CB -0.380 28.285 28.738 -0.120 0.000 0.911 994 Q HN 0.535 nan 8.270 nan 0.000 0.417 995 E N 0.424 120.569 120.200 -0.093 0.000 2.273 995 E HA -0.136 4.214 4.350 -0.000 0.000 0.198 995 E C 1.091 177.641 176.600 -0.083 0.000 1.002 995 E CA 0.796 57.151 56.400 -0.075 0.000 0.828 995 E CB -0.113 29.555 29.700 -0.053 0.000 0.747 995 E HN 0.403 nan 8.360 nan 0.000 0.491 996 N N -0.127 118.509 118.700 -0.106 0.000 2.205 996 N HA 0.060 4.800 4.740 -0.000 0.000 0.201 996 N C 0.284 175.696 175.510 -0.163 0.000 1.128 996 N CA 0.004 52.992 53.050 -0.104 0.000 0.867 996 N CB 0.713 39.152 38.487 -0.079 0.000 0.996 996 N HN 0.134 nan 8.380 nan 0.000 0.503 997 L N 2.087 123.132 121.223 -0.298 0.000 2.391 997 L HA 0.215 4.555 4.340 -0.000 0.000 0.249 997 L C -0.404 176.256 176.870 -0.350 0.000 1.308 997 L CA -0.205 54.230 54.840 -0.674 0.000 1.209 997 L CB -0.652 40.759 42.059 -1.080 0.000 1.401 997 L HN -0.171 nan 8.230 nan 0.000 0.416 998 L N 1.357 122.553 121.223 -0.046 0.000 2.313 998 L HA 0.137 4.477 4.340 -0.000 0.000 0.282 998 L C 0.996 177.991 176.870 0.209 0.000 1.092 998 L CA 0.296 55.183 54.840 0.078 0.000 0.831 998 L CB 1.552 43.633 42.059 0.036 0.000 1.159 998 L HN 0.153 nan 8.230 nan 0.000 0.442 999 V N 3.561 123.581 119.914 0.177 0.000 2.490 999 V HA 0.168 4.288 4.120 -0.000 0.000 0.238 999 V C 0.626 176.769 176.094 0.082 0.000 1.056 999 V CA 0.493 62.879 62.300 0.143 0.000 1.075 999 V CB 0.169 32.076 31.823 0.140 0.000 0.746 999 V HN 0.452 nan 8.190 nan 0.000 0.479 1000 L N -0.585 120.680 121.223 0.070 0.000 2.334 1000 L HA 0.473 4.813 4.340 -0.000 0.000 0.270 1000 L C 0.992 177.884 176.870 0.038 0.000 1.018 1000 L CA -0.233 54.640 54.840 0.054 0.000 0.811 1000 L CB 1.728 43.819 42.059 0.052 0.000 1.271 1000 L HN -0.009 nan 8.230 nan 0.000 0.443 1001 R N 0.447 120.965 120.500 0.030 0.000 2.316 1001 R HA 0.188 4.527 4.340 -0.000 0.000 0.201 1001 R C 0.594 176.900 176.300 0.010 0.000 0.888 1001 R CA 0.107 56.217 56.100 0.016 0.000 1.041 1001 R CB 0.522 30.828 30.300 0.011 0.000 1.115 1001 R HN 0.831 nan 8.270 nan 0.000 0.559 1002 G N 2.096 110.905 108.800 0.014 0.000 2.886 1002 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.276 1002 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.276 1002 G C -0.102 174.798 174.900 0.001 0.000 0.382 1002 G CA 0.309 45.414 45.100 0.009 0.000 1.168 1002 G HN 0.076 nan 8.290 nan 0.000 0.205 1003 K N 1.357 121.757 120.400 -0.001 0.000 3.165 1003 K HA 0.262 4.582 4.320 -0.000 0.000 0.259 1003 K C 0.517 177.113 176.600 -0.005 0.000 1.282 1003 K CA -0.089 56.196 56.287 -0.004 0.000 1.259 1003 K CB -0.438 32.060 32.500 -0.004 0.000 1.546 1003 K HN 0.920 nan 8.250 nan 0.000 0.384 1004 N N -3.246 115.450 118.700 -0.007 0.000 3.356 1004 N HA 0.037 4.776 4.740 -0.000 0.000 0.246 1004 N C 0.184 175.686 175.510 -0.013 0.000 1.480 1004 N CA -0.701 52.343 53.050 -0.010 0.000 0.877 1004 N CB 0.539 39.021 38.487 -0.008 0.000 1.431 1004 N HN -0.136 nan 8.380 nan 0.000 0.500 1005 E N 0.316 120.506 120.200 -0.016 0.000 2.028 1005 E HA 0.133 4.483 4.350 -0.000 0.000 0.191 1005 E C 1.351 177.935 176.600 -0.026 0.000 0.988 1005 E CA 1.621 58.009 56.400 -0.020 0.000 0.799 1005 E CB -0.285 29.403 29.700 -0.020 0.000 0.755 1005 E HN 0.589 nan 8.360 nan 0.000 0.447 1006 I N 0.588 121.140 120.570 -0.030 0.000 2.091 1006 I HA -0.316 3.854 4.170 -0.000 0.000 0.239 1006 I C 2.057 178.148 176.117 -0.043 0.000 1.061 1006 I CA 1.026 62.300 61.300 -0.043 0.000 1.317 1006 I CB -0.319 37.652 38.000 -0.048 0.000 1.031 1006 I HN 0.255 nan 8.210 nan 0.000 0.401 1007 I N 0.137 120.690 120.570 -0.028 0.000 2.090 1007 I HA -0.300 3.870 4.170 -0.000 0.000 0.236 1007 I C 2.573 178.682 176.117 -0.013 0.000 1.064 1007 I CA 1.606 62.896 61.300 -0.016 0.000 1.324 1007 I CB -1.606 36.393 38.000 -0.002 0.000 1.044 1007 I HN 0.389 nan 8.210 nan 0.000 0.399 1008 Q N 0.478 120.270 119.800 -0.013 0.000 2.268 1008 Q HA -0.234 4.106 4.340 -0.000 0.000 0.210 1008 Q C 1.986 177.974 176.000 -0.019 0.000 0.988 1008 Q CA 1.248 57.043 55.803 -0.013 0.000 0.883 1008 Q CB -0.515 28.214 28.738 -0.015 0.000 0.911 1008 Q HN 0.516 nan 8.270 nan 0.000 0.430 1009 N N 0.008 118.693 118.700 -0.025 0.000 2.270 1009 N HA -0.063 4.677 4.740 -0.000 0.000 0.181 1009 N C 1.533 177.026 175.510 -0.030 0.000 1.016 1009 N CA 1.036 54.068 53.050 -0.031 0.000 0.870 1009 N CB 0.072 38.538 38.487 -0.036 0.000 0.979 1009 N HN 0.207 nan 8.380 nan 0.000 0.431 1010 A N 0.785 123.588 122.820 -0.028 0.000 1.972 1010 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 1010 A C 2.134 179.717 177.584 -0.001 0.000 1.169 1010 A CA 1.571 53.596 52.037 -0.020 0.000 0.635 1010 A CB -0.606 18.381 19.000 -0.021 0.000 0.810 1010 A HN 0.365 nan 8.150 nan 0.000 0.446 1011 Q N 0.482 120.283 119.800 0.002 0.000 1.998 1011 Q HA -0.235 4.105 4.340 -0.000 0.000 0.209 1011 Q C 2.074 178.075 176.000 0.003 0.000 1.002 1011 Q CA 2.493 58.303 55.803 0.012 0.000 0.858 1011 Q CB -0.470 28.270 28.738 0.004 0.000 0.932 1011 Q HN 0.641 nan 8.270 nan 0.000 0.416 1012 R N 0.314 120.803 120.500 -0.018 0.000 2.154 1012 R HA -0.184 4.156 4.340 -0.000 0.000 0.248 1012 R C 1.948 178.225 176.300 -0.039 0.000 1.155 1012 R CA 1.458 57.536 56.100 -0.037 0.000 0.979 1012 R CB -0.427 29.843 30.300 -0.051 0.000 0.869 1012 R HN 0.526 nan 8.270 nan 0.000 0.452 1013 D N 0.507 120.892 120.400 -0.025 0.000 2.075 1013 D HA -0.101 4.539 4.640 -0.000 0.000 0.196 1013 D C 1.946 178.246 176.300 -0.000 0.000 0.985 1013 D CA 1.465 55.452 54.000 -0.021 0.000 0.834 1013 D CB -0.350 40.444 40.800 -0.010 0.000 0.987 1013 D HN 0.212 nan 8.370 nan 0.000 0.452 1014 A N 1.008 123.842 122.820 0.023 0.000 1.997 1014 A HA -0.179 4.141 4.320 -0.000 0.000 0.221 1014 A C 2.502 180.133 177.584 0.079 0.000 1.172 1014 A CA 1.688 53.754 52.037 0.048 0.000 0.645 1014 A CB -0.647 18.393 19.000 0.066 0.000 0.813 1014 A HN 0.178 nan 8.150 nan 0.000 0.454 1015 V N -1.245 118.716 119.914 0.078 0.000 2.300 1015 V HA -0.148 3.971 4.120 -0.000 0.000 0.241 1015 V C 2.279 178.425 176.094 0.087 0.000 1.034 1015 V CA 1.827 64.204 62.300 0.128 0.000 1.021 1015 V CB -1.678 30.190 31.823 0.075 0.000 0.662 1015 V HN 0.569 nan 8.190 nan 0.000 0.458 1016 T N 1.442 115.983 114.554 -0.021 0.000 2.094 1016 T HA -0.438 3.912 4.350 -0.000 0.000 0.168 1016 T C 1.658 176.299 174.700 -0.098 0.000 1.703 1016 T CA 2.756 64.781 62.100 -0.126 0.000 0.917 1016 T CB -1.185 67.564 68.868 -0.198 0.000 0.769 1016 T HN 0.314 nan 8.240 nan 0.000 0.444 1017 L N 0.775 121.980 121.223 -0.030 0.000 1.997 1017 L HA -0.067 4.273 4.340 -0.000 0.000 0.216 1017 L C 2.103 179.044 176.870 0.120 0.000 1.074 1017 L CA 2.174 57.032 54.840 0.030 0.000 0.763 1017 L CB -1.420 40.664 42.059 0.042 0.000 0.890 1017 L HN 0.400 nan 8.230 nan 0.000 0.434 1018 F N 0.322 120.284 119.950 0.019 0.000 2.043 1018 F HA -0.335 4.192 4.527 -0.000 0.000 0.297 1018 F C 2.666 178.474 175.800 0.014 0.000 1.118 1018 F CA 1.875 59.908 58.000 0.055 0.000 1.202 1018 F CB -1.261 37.812 39.000 0.123 0.000 0.965 1018 F HN 0.297 nan 8.300 nan 0.000 0.482 1019 C N 0.145 119.361 119.300 -0.141 0.000 2.385 1019 C HA -0.318 4.142 4.460 -0.000 0.000 0.275 1019 C C 3.078 177.933 174.990 -0.225 0.000 1.207 1019 C CA 1.123 59.970 59.018 -0.284 0.000 1.760 1019 C CB -1.974 25.663 27.740 -0.171 0.000 2.051 1019 C HN 0.733 nan 8.230 nan 0.000 0.467 1020 C N 0.277 119.496 119.300 -0.135 0.000 2.385 1020 C HA -0.184 4.276 4.460 -0.000 0.000 0.275 1020 C C 2.546 177.499 174.990 -0.060 0.000 1.207 1020 C CA 1.441 60.410 59.018 -0.082 0.000 1.760 1020 C CB -1.724 25.996 27.740 -0.035 0.000 2.051 1020 C HN 0.680 nan 8.230 nan 0.000 0.467 1021 L N 0.615 121.805 121.223 -0.056 0.000 2.042 1021 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 1021 L C 2.271 179.059 176.870 -0.137 0.000 1.076 1021 L CA 1.705 56.526 54.840 -0.032 0.000 0.749 1021 L CB -0.958 41.127 42.059 0.043 0.000 0.893 1021 L HN 0.282 nan 8.230 nan 0.000 0.432 1022 L N -0.065 120.952 121.223 -0.343 0.000 1.994 1022 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 1022 L C 2.731 179.502 176.870 -0.165 0.000 1.071 1022 L CA 1.890 56.504 54.840 -0.375 0.000 0.745 1022 L CB -0.644 41.064 42.059 -0.584 0.000 0.892 1022 L HN 0.266 nan 8.230 nan 0.000 0.431 1023 R N -1.191 119.237 120.500 -0.120 0.000 2.120 1023 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 1023 R C 2.497 178.833 176.300 0.060 0.000 1.123 1023 R CA 1.204 57.287 56.100 -0.028 0.000 0.975 1023 R CB -0.685 29.597 30.300 -0.031 0.000 0.866 1023 R HN 0.471 nan 8.270 nan 0.000 0.446 1024 S N 0.562 116.300 115.700 0.063 0.000 2.383 1024 S HA -0.119 4.351 4.470 -0.000 0.000 0.229 1024 S C 1.619 176.336 174.600 0.194 0.000 1.030 1024 S CA 1.157 59.464 58.200 0.178 0.000 1.002 1024 S CB 0.078 63.347 63.200 0.115 0.000 0.829 1024 S HN 0.204 nan 8.310 nan 0.000 0.467 1025 R N 0.179 120.741 120.500 0.104 0.000 2.362 1025 R HA 0.364 4.704 4.340 -0.000 0.000 0.227 1025 R C 0.440 176.843 176.300 0.172 0.000 0.905 1025 R CA 0.138 56.325 56.100 0.144 0.000 1.067 1025 R CB -0.246 30.098 30.300 0.074 0.000 1.078 1025 R HN 0.423 nan 8.270 nan 0.000 0.516 1026 L N 0.877 122.162 121.223 0.103 0.000 3.209 1026 L HA 0.445 4.785 4.340 -0.000 0.000 0.279 1026 L C 0.026 176.964 176.870 0.113 0.000 1.301 1026 L CA -0.544 54.384 54.840 0.147 0.000 1.004 1026 L CB 0.858 42.971 42.059 0.091 0.000 1.402 1026 L HN -0.113 nan 8.230 nan 0.000 0.577 1027 A N -0.292 122.549 122.820 0.036 0.000 2.363 1027 A HA 0.399 4.719 4.320 -0.000 0.000 0.270 1027 A C 1.393 178.931 177.584 -0.076 0.000 1.121 1027 A CA -0.069 51.952 52.037 -0.027 0.000 0.800 1027 A CB 0.526 19.436 19.000 -0.149 0.000 1.052 1027 A HN 0.344 nan 8.150 nan 0.000 0.493 1028 T N 2.195 116.722 114.554 -0.045 0.000 2.536 1028 T HA -0.238 4.112 4.350 -0.000 0.000 0.263 1028 T C 2.168 176.791 174.700 -0.128 0.000 1.115 1028 T CA 1.859 63.916 62.100 -0.071 0.000 1.180 1028 T CB -0.288 68.551 68.868 -0.048 0.000 0.864 1028 T HN 0.665 nan 8.240 nan 0.000 0.419 1029 R N 0.612 121.019 120.500 -0.154 0.000 2.133 1029 R HA -0.114 4.226 4.340 -0.000 0.000 0.245 1029 R C 2.652 178.783 176.300 -0.281 0.000 1.137 1029 R CA 1.868 57.850 56.100 -0.197 0.000 0.947 1029 R CB -0.604 29.568 30.300 -0.214 0.000 0.865 1029 R HN 0.376 nan 8.270 nan 0.000 0.437 1030 R N -0.134 120.126 120.500 -0.399 0.000 2.080 1030 R HA -0.132 4.208 4.340 -0.000 0.000 0.236 1030 R C 2.343 178.275 176.300 -0.613 0.000 1.137 1030 R CA 1.912 57.679 56.100 -0.555 0.000 0.943 1030 R CB -0.395 29.564 30.300 -0.568 0.000 0.846 1030 R HN 0.061 nan 8.270 nan 0.000 0.431 1031 V N 0.837 120.579 119.914 -0.287 0.000 2.324 1031 V HA -0.278 3.841 4.120 -0.000 0.000 0.250 1031 V C 2.028 178.088 176.094 -0.056 0.000 1.060 1031 V CA 1.858 64.144 62.300 -0.023 0.000 1.042 1031 V CB -0.388 31.512 31.823 0.128 0.000 0.650 1031 V HN 0.292 nan 8.190 nan 0.000 0.450 1032 L N -1.565 119.583 121.223 -0.124 0.000 2.357 1032 L HA 0.079 4.419 4.340 -0.000 0.000 0.211 1032 L C 2.340 179.153 176.870 -0.094 0.000 1.075 1032 L CA 1.129 55.917 54.840 -0.087 0.000 0.830 1032 L CB -0.468 41.538 42.059 -0.087 0.000 0.996 1032 L HN 0.197 nan 8.230 nan 0.000 0.467 1033 Q N -0.082 119.627 119.800 -0.151 0.000 2.107 1033 Q HA -0.080 4.260 4.340 -0.000 0.000 0.195 1033 Q C 1.956 177.874 176.000 -0.138 0.000 0.964 1033 Q CA 0.836 56.565 55.803 -0.124 0.000 0.833 1033 Q CB 0.311 28.966 28.738 -0.138 0.000 0.910 1033 Q HN 0.470 nan 8.270 nan 0.000 0.465 1034 E N -0.136 119.894 120.200 -0.284 0.000 2.007 1034 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 1034 E C -0.172 176.341 176.600 -0.145 0.000 0.999 1034 E CA 1.107 57.322 56.400 -0.308 0.000 0.811 1034 E CB -0.008 29.342 29.700 -0.582 0.000 0.762 1034 E HN 0.364 nan 8.360 nan 0.000 0.450 1035 Y N -0.207 120.107 120.300 0.024 0.000 2.842 1035 Y HA 0.401 4.951 4.550 -0.000 0.000 0.334 1035 Y C -0.328 175.588 175.900 0.026 0.000 1.019 1035 Y CA -1.033 57.096 58.100 0.049 0.000 1.258 1035 Y CB 0.319 38.800 38.460 0.035 0.000 1.106 1035 Y HN -0.278 nan 8.280 nan 0.000 0.545 1036 R N 3.381 123.956 120.500 0.126 0.000 3.971 1036 R HA -0.031 4.309 4.340 -0.000 0.000 0.168 1036 R C 0.141 176.464 176.300 0.037 0.000 1.468 1036 R CA 0.292 56.421 56.100 0.049 0.000 1.078 1036 R CB -0.974 29.332 30.300 0.010 0.000 1.156 1036 R HN 0.779 nan 8.270 nan 0.000 0.572 1037 L N 0.109 121.385 121.223 0.089 0.000 2.464 1037 L HA 0.146 4.486 4.340 -0.000 0.000 0.224 1037 L C 1.538 178.407 176.870 -0.001 0.000 1.219 1037 L CA 0.295 55.171 54.840 0.060 0.000 0.831 1037 L CB 0.119 42.279 42.059 0.168 0.000 1.284 1037 L HN 0.388 nan 8.230 nan 0.000 0.522 1038 T N -3.118 111.416 114.554 -0.033 0.000 2.645 1038 T HA 0.271 4.621 4.350 -0.000 0.000 0.273 1038 T C 0.500 175.176 174.700 -0.039 0.000 0.960 1038 T CA -0.667 61.403 62.100 -0.051 0.000 1.051 1038 T CB 1.772 70.600 68.868 -0.066 0.000 1.366 1038 T HN 0.444 nan 8.240 nan 0.000 0.536 1039 K N 0.221 120.597 120.400 -0.040 0.000 2.025 1039 K HA -0.007 4.313 4.320 -0.000 0.000 0.207 1039 K C 2.401 179.012 176.600 0.019 0.000 1.049 1039 K CA 2.007 58.287 56.287 -0.012 0.000 0.933 1039 K CB -0.736 31.757 32.500 -0.012 0.000 0.714 1039 K HN 0.667 nan 8.250 nan 0.000 0.438 1040 Q N -0.226 119.550 119.800 -0.040 0.000 1.975 1040 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 1040 Q C 1.973 177.812 176.000 -0.268 0.000 0.990 1040 Q CA 2.265 58.014 55.803 -0.090 0.000 0.845 1040 Q CB -0.501 28.193 28.738 -0.073 0.000 0.913 1040 Q HN 0.420 nan 8.270 nan 0.000 0.420 1041 A N 0.460 122.964 122.820 -0.528 0.000 1.881 1041 A HA -0.291 4.028 4.320 -0.000 0.000 0.219 1041 A C 1.920 179.454 177.584 -0.082 0.000 1.215 1041 A CA 1.985 53.678 52.037 -0.573 0.000 0.648 1041 A CB -1.446 17.345 19.000 -0.349 0.000 0.832 1041 A HN 0.617 nan 8.150 nan 0.000 0.455 1042 F N 1.010 120.889 119.950 -0.119 0.000 2.025 1042 F HA -0.251 4.275 4.527 -0.000 0.000 0.297 1042 F C 2.160 177.957 175.800 -0.004 0.000 1.132 1042 F CA 2.496 60.472 58.000 -0.040 0.000 1.191 1042 F CB -0.391 38.588 39.000 -0.035 0.000 0.963 1042 F HN 0.320 nan 8.300 nan 0.000 0.481 1043 D N -1.074 119.459 120.400 0.222 0.000 2.203 1043 D HA -0.272 4.368 4.640 -0.000 0.000 0.199 1043 D C 1.831 178.189 176.300 0.097 0.000 0.997 1043 D CA 1.577 55.656 54.000 0.132 0.000 0.863 1043 D CB -0.580 40.310 40.800 0.149 0.000 0.928 1043 D HN 0.505 nan 8.370 nan 0.000 0.458 1044 W N 1.429 122.682 121.300 -0.078 0.000 2.452 1044 W HA -0.143 4.516 4.660 -0.000 0.000 0.313 1044 W C 2.296 178.760 176.519 -0.091 0.000 1.176 1044 W CA 0.734 58.057 57.345 -0.037 0.000 1.350 1044 W CB -0.639 28.834 29.460 0.021 0.000 1.148 1044 W HN -0.284 nan 8.180 nan 0.000 0.498 1045 V N 1.600 121.486 119.914 -0.046 0.000 2.317 1045 V HA -0.381 3.738 4.120 -0.000 0.000 0.251 1045 V C 2.381 178.255 176.094 -0.367 0.000 1.065 1045 V CA 2.113 64.246 62.300 -0.280 0.000 1.049 1045 V CB -1.289 30.388 31.823 -0.243 0.000 0.651 1045 V HN 0.259 nan 8.190 nan 0.000 0.450 1046 L N -0.064 120.935 121.223 -0.374 0.000 1.961 1046 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 1046 L C 2.811 179.541 176.870 -0.233 0.000 1.072 1046 L CA 2.076 56.718 54.840 -0.329 0.000 0.749 1046 L CB -0.921 40.953 42.059 -0.308 0.000 0.889 1046 L HN 0.482 nan 8.230 nan 0.000 0.432 1047 S N 0.138 115.726 115.700 -0.187 0.000 2.393 1047 S HA -0.294 4.176 4.470 -0.000 0.000 0.234 1047 S C 1.812 176.286 174.600 -0.211 0.000 1.064 1047 S CA 2.151 60.258 58.200 -0.155 0.000 1.088 1047 S CB -0.405 62.733 63.200 -0.104 0.000 0.939 1047 S HN 0.416 nan 8.310 nan 0.000 0.448 1048 N N 1.145 119.628 118.700 -0.361 0.000 2.022 1048 N HA -0.034 4.705 4.740 -0.000 0.000 0.194 1048 N C 1.958 177.345 175.510 -0.204 0.000 1.057 1048 N CA 1.787 54.617 53.050 -0.366 0.000 0.849 1048 N CB -0.702 37.415 38.487 -0.616 0.000 1.044 1048 N HN 0.459 nan 8.380 nan 0.000 0.424 1049 I N 1.670 122.127 120.570 -0.188 0.000 2.147 1049 I HA -0.376 3.794 4.170 -0.000 0.000 0.245 1049 I C 2.584 178.714 176.117 0.022 0.000 1.059 1049 I CA 1.632 62.902 61.300 -0.051 0.000 1.320 1049 I CB -0.481 37.483 38.000 -0.060 0.000 1.021 1049 I HN 0.384 nan 8.210 nan 0.000 0.415 1050 E N 1.318 121.492 120.200 -0.043 0.000 2.021 1050 E HA -0.281 4.069 4.350 -0.000 0.000 0.200 1050 E C 2.210 178.834 176.600 0.040 0.000 1.015 1050 E CA 1.888 58.276 56.400 -0.019 0.000 0.824 1050 E CB -0.224 29.440 29.700 -0.060 0.000 0.762 1050 E HN 0.458 nan 8.360 nan 0.000 0.454 1051 A N 0.394 123.205 122.820 -0.015 0.000 1.902 1051 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 1051 A C 2.229 179.803 177.584 -0.016 0.000 1.181 1051 A CA 1.881 53.909 52.037 -0.015 0.000 0.623 1051 A CB -0.833 18.139 19.000 -0.047 0.000 0.818 1051 A HN 0.481 nan 8.150 nan 0.000 0.443 1052 Q N -1.774 118.008 119.800 -0.030 0.000 2.135 1052 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 1052 Q C 1.725 177.693 176.000 -0.054 0.000 0.981 1052 Q CA 1.942 57.716 55.803 -0.048 0.000 0.856 1052 Q CB -0.297 28.413 28.738 -0.047 0.000 0.902 1052 Q HN 0.734 nan 8.270 nan 0.000 0.425 1053 F N 0.299 120.169 119.950 -0.134 0.000 2.031 1053 F HA -0.196 4.331 4.527 -0.000 0.000 0.295 1053 F C 1.591 177.276 175.800 -0.191 0.000 1.133 1053 F CA 1.431 59.322 58.000 -0.181 0.000 1.188 1053 F CB -0.290 38.637 39.000 -0.122 0.000 0.974 1053 F HN 0.009 nan 8.300 nan 0.000 0.473 1054 L N 0.394 121.718 121.223 0.168 0.000 2.369 1054 L HA -0.286 4.054 4.340 -0.000 0.000 0.220 1054 L C 2.454 179.211 176.870 -0.189 0.000 1.119 1054 L CA 1.217 56.071 54.840 0.022 0.000 0.780 1054 L CB -0.709 41.383 42.059 0.054 0.000 0.906 1054 L HN 0.267 nan 8.230 nan 0.000 0.442 1055 R N -1.021 119.325 120.500 -0.257 0.000 2.100 1055 R HA -0.000 4.340 4.340 -0.000 0.000 0.220 1055 R C 2.320 178.218 176.300 -0.671 0.000 1.091 1055 R CA 1.110 56.990 56.100 -0.367 0.000 0.986 1055 R CB -0.229 29.883 30.300 -0.312 0.000 0.888 1055 R HN 0.240 nan 8.270 nan 0.000 0.444 1056 S N 0.986 116.262 115.700 -0.707 0.000 2.507 1056 S HA -0.004 4.466 4.470 -0.000 0.000 0.235 1056 S C 0.994 175.343 174.600 -0.418 0.000 0.988 1056 S CA 0.269 58.070 58.200 -0.665 0.000 0.944 1056 S CB -0.092 62.812 63.200 -0.493 0.000 0.762 1056 S HN -0.007 nan 8.310 nan 0.000 0.526 1057 V N 2.428 122.071 119.914 -0.451 0.000 2.999 1057 V HA 0.050 4.170 4.120 -0.000 0.000 0.307 1057 V C 0.617 176.593 176.094 -0.196 0.000 1.084 1057 V CA -0.393 61.726 62.300 -0.302 0.000 1.155 1057 V CB 0.432 32.100 31.823 -0.259 0.000 0.975 1057 V HN 0.075 nan 8.190 nan 0.000 0.490 1058 V N 3.720 123.591 119.914 -0.073 0.000 2.614 1058 V HA 0.119 4.239 4.120 -0.000 0.000 0.291 1058 V C 0.483 176.528 176.094 -0.081 0.000 1.049 1058 V CA -0.473 61.819 62.300 -0.013 0.000 1.038 1058 V CB 0.368 32.230 31.823 0.065 0.000 0.980 1058 V HN 0.768 nan 8.190 nan 0.000 0.481 1059 H N 4.963 124.016 119.070 -0.030 0.000 2.878 1059 H HA 0.162 4.718 4.556 -0.000 0.000 0.290 1059 H C -2.248 173.044 175.328 -0.059 0.000 1.065 1059 H CA -1.679 54.357 56.048 -0.020 0.000 1.477 1059 H CB 0.909 30.663 29.762 -0.014 0.000 1.484 1059 H HN 0.434 nan 8.280 nan 0.000 0.504 1060 P HA 0.006 nan 4.420 nan 0.000 0.259 1060 P C 0.844 178.013 177.300 -0.219 0.000 1.211 1060 P CA 0.803 63.840 63.100 -0.106 0.000 0.810 1060 P CB 0.446 32.138 31.700 -0.013 0.000 0.815 1061 G N 2.439 111.115 108.800 -0.207 0.000 3.617 1061 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.217 1061 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.217 1061 G C -0.069 174.731 174.900 -0.167 0.000 0.967 1061 G CA -0.436 44.562 45.100 -0.170 0.000 0.878 1061 G HN 0.361 nan 8.290 nan 0.000 0.439 1062 E N 1.821 121.926 120.200 -0.158 0.000 2.694 1062 E HA 0.053 4.403 4.350 -0.000 0.000 0.250 1062 E C 0.456 176.918 176.600 -0.231 0.000 0.963 1062 E CA 0.445 56.730 56.400 -0.191 0.000 0.949 1062 E CB 0.339 29.891 29.700 -0.246 0.000 0.911 1062 E HN 0.186 nan 8.360 nan 0.000 0.500 1063 M N 4.287 123.775 119.600 -0.187 0.000 3.709 1063 M HA 0.017 4.497 4.480 -0.000 0.000 0.202 1063 M C 0.943 177.142 176.300 -0.168 0.000 1.360 1063 M CA -0.213 54.983 55.300 -0.174 0.000 1.600 1063 M CB -0.570 31.947 32.600 -0.139 0.000 1.061 1063 M HN 0.175 nan 8.290 nan 0.000 0.575 1064 V N -0.094 119.692 119.914 -0.214 0.000 2.982 1064 V HA -0.186 3.934 4.120 -0.000 0.000 0.265 1064 V C 2.283 178.334 176.094 -0.071 0.000 1.122 1064 V CA 1.900 64.101 62.300 -0.164 0.000 1.143 1064 V CB -1.530 30.123 31.823 -0.284 0.000 0.726 1064 V HN 0.739 nan 8.190 nan 0.000 0.507 1065 G N 0.391 109.134 108.800 -0.096 0.000 2.453 1065 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.215 1065 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.215 1065 G C 1.619 176.458 174.900 -0.101 0.000 1.201 1065 G CA 1.195 46.243 45.100 -0.087 0.000 0.784 1065 G HN 0.379 nan 8.290 nan 0.000 0.545 1066 V N 0.940 120.785 119.914 -0.114 0.000 2.343 1066 V HA -0.123 3.997 4.120 -0.000 0.000 0.247 1066 V C 2.700 178.719 176.094 -0.125 0.000 1.051 1066 V CA 1.333 63.561 62.300 -0.120 0.000 1.036 1066 V CB -0.481 31.275 31.823 -0.112 0.000 0.654 1066 V HN 0.282 nan 8.190 nan 0.000 0.451 1067 L N 0.879 122.028 121.223 -0.123 0.000 1.944 1067 L HA -0.225 4.115 4.340 -0.000 0.000 0.218 1067 L C 2.634 179.367 176.870 -0.228 0.000 1.075 1067 L CA 2.914 57.661 54.840 -0.156 0.000 0.767 1067 L CB -1.694 40.302 42.059 -0.104 0.000 0.890 1067 L HN 0.323 nan 8.230 nan 0.000 0.434 1068 A N -0.448 122.302 122.820 -0.116 0.000 1.884 1068 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 1068 A C 2.457 179.964 177.584 -0.128 0.000 1.197 1068 A CA 3.010 55.004 52.037 -0.072 0.000 0.637 1068 A CB -1.236 17.831 19.000 0.111 0.000 0.827 1068 A HN 0.673 nan 8.150 nan 0.000 0.450 1069 A N -0.802 121.948 122.820 -0.116 0.000 1.849 1069 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 1069 A C 2.141 179.650 177.584 -0.125 0.000 1.202 1069 A CA 2.017 53.980 52.037 -0.124 0.000 0.629 1069 A CB -0.905 18.009 19.000 -0.144 0.000 0.834 1069 A HN 0.689 nan 8.150 nan 0.000 0.447 1070 Q N -0.380 119.341 119.800 -0.131 0.000 2.061 1070 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 1070 Q C 2.415 178.354 176.000 -0.103 0.000 0.984 1070 Q CA 1.809 57.551 55.803 -0.102 0.000 0.846 1070 Q CB -0.384 28.304 28.738 -0.083 0.000 0.902 1070 Q HN 0.644 nan 8.270 nan 0.000 0.421 1071 S N 0.595 116.171 115.700 -0.206 0.000 2.420 1071 S HA -0.155 4.315 4.470 -0.000 0.000 0.237 1071 S C 1.848 176.381 174.600 -0.113 0.000 1.023 1071 S CA 1.104 59.159 58.200 -0.242 0.000 0.991 1071 S CB -0.169 62.647 63.200 -0.641 0.000 0.792 1071 S HN 0.294 nan 8.310 nan 0.000 0.488 1072 I N 0.363 120.880 120.570 -0.089 0.000 2.512 1072 I HA 0.072 4.242 4.170 -0.000 0.000 0.247 1072 I C 2.766 178.855 176.117 -0.046 0.000 1.094 1072 I CA 0.733 62.006 61.300 -0.045 0.000 1.427 1072 I CB -0.992 36.985 38.000 -0.038 0.000 1.149 1072 I HN 0.329 nan 8.210 nan 0.000 0.438 1073 G N 0.874 109.639 108.800 -0.060 0.000 2.469 1073 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 1073 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 1073 G C 1.535 176.404 174.900 -0.051 0.000 1.150 1073 G CA 0.865 45.930 45.100 -0.057 0.000 0.763 1073 G HN 0.332 nan 8.290 nan 0.000 0.561 1074 E N 1.291 121.463 120.200 -0.048 0.000 2.021 1074 E HA -0.136 4.214 4.350 -0.000 0.000 0.200 1074 E C 0.065 176.638 176.600 -0.046 0.000 1.015 1074 E CA 1.689 58.054 56.400 -0.059 0.000 0.824 1074 E CB -1.095 28.603 29.700 -0.003 0.000 0.762 1074 E HN 0.374 nan 8.360 nan 0.000 0.454 1075 P HA -0.079 nan 4.420 nan 0.000 0.234 1075 P C 0.577 177.863 177.300 -0.023 0.000 1.162 1075 P CA 1.325 64.418 63.100 -0.012 0.000 0.759 1075 P CB -0.113 31.586 31.700 -0.001 0.000 0.813 1076 A N -0.610 122.192 122.820 -0.030 0.000 2.178 1076 A HA 0.057 4.377 4.320 -0.000 0.000 0.211 1076 A C 1.983 179.551 177.584 -0.027 0.000 1.157 1076 A CA 1.055 53.076 52.037 -0.027 0.000 0.780 1076 A CB -0.934 18.049 19.000 -0.027 0.000 0.828 1076 A HN 0.155 nan 8.150 nan 0.000 0.476 1077 T N -0.332 114.199 114.554 -0.038 0.000 3.051 1077 T HA -0.007 4.343 4.350 -0.000 0.000 0.255 1077 T C 1.486 176.163 174.700 -0.038 0.000 1.085 1077 T CA 0.560 62.636 62.100 -0.040 0.000 1.109 1077 T CB 0.026 68.859 68.868 -0.059 0.000 0.921 1077 T HN 0.356 nan 8.240 nan 0.000 0.488 1078 Q N 0.703 120.481 119.800 -0.037 0.000 2.444 1078 Q HA 0.257 4.597 4.340 -0.000 0.000 0.206 1078 Q C 0.355 176.343 176.000 -0.020 0.000 0.948 1078 Q CA 0.192 55.977 55.803 -0.029 0.000 0.946 1078 Q CB -0.305 28.419 28.738 -0.024 0.000 1.027 1078 Q HN 0.546 nan 8.270 nan 0.000 0.513 1079 M N 1.675 121.263 119.600 -0.020 0.000 2.557 1079 M HA 0.087 4.567 4.480 -0.000 0.000 0.328 1079 M C -0.338 175.954 176.300 -0.015 0.000 1.423 1079 M CA 0.291 55.581 55.300 -0.017 0.000 1.418 1079 M CB 0.135 32.724 32.600 -0.018 0.000 1.381 1079 M HN -0.234 nan 8.290 nan 0.000 0.467 1080 T N 5.436 119.983 114.554 -0.012 0.000 2.747 1080 T HA 0.638 4.988 4.350 -0.000 0.000 0.301 1080 T C -0.009 174.686 174.700 -0.009 0.000 0.952 1080 T CA -0.039 62.054 62.100 -0.011 0.000 0.983 1080 T CB 0.396 69.259 68.868 -0.009 0.000 0.930 1080 T HN 0.529 nan 8.240 nan 0.000 0.494 1093 K N 2.629 123.037 120.400 0.014 0.000 2.229 1093 K HA 0.267 4.587 4.320 -0.000 0.000 0.247 1093 K C -0.051 176.554 176.600 0.008 0.000 1.117 1093 K CA -0.158 56.133 56.287 0.006 0.000 1.036 1093 K CB 1.055 33.554 32.500 -0.001 0.000 1.654 1093 K HN -0.105 nan 8.250 nan 0.000 0.405 1094 V N -0.148 119.772 119.914 0.010 0.000 5.513 1094 V HA 0.172 4.292 4.120 -0.000 0.000 0.275 1094 V C 1.165 177.263 176.094 0.008 0.000 1.497 1094 V CA -0.555 61.751 62.300 0.011 0.000 0.708 1094 V CB 1.151 32.984 31.823 0.017 0.000 1.382 1094 V HN 0.425 nan 8.190 nan 0.000 0.411 1095 T N -0.204 114.357 114.554 0.010 0.000 3.186 1095 T HA 0.288 4.638 4.350 -0.000 0.000 0.257 1095 T C 0.697 175.401 174.700 0.006 0.000 1.029 1095 T CA 0.741 62.847 62.100 0.011 0.000 0.916 1095 T CB -0.080 68.800 68.868 0.019 0.000 1.041 1095 T HN 0.630 nan 8.240 nan 0.000 0.562 1096 S N 0.355 116.055 115.700 0.001 0.000 3.762 1096 S HA -0.184 4.286 4.470 -0.000 0.000 0.627 1096 S C 1.429 176.022 174.600 -0.011 0.000 2.389 1096 S CA 0.955 59.151 58.200 -0.006 0.000 3.978 1096 S CB -1.336 61.861 63.200 -0.005 0.000 0.234 1096 S HN 0.690 nan 8.310 nan 0.000 0.960 1097 G N -0.487 108.306 108.800 -0.013 0.000 2.487 1097 G HA2 0.416 4.376 3.960 -0.000 0.000 0.212 1097 G HA3 0.416 4.376 3.960 -0.000 0.000 0.212 1097 G C 1.150 176.045 174.900 -0.009 0.000 1.988 1097 G CA 0.557 45.646 45.100 -0.018 0.000 0.724 1097 G HN 0.813 nan 8.290 nan 0.000 0.755 1098 V N 3.383 123.293 119.914 -0.007 0.000 2.252 1098 V HA -0.174 3.946 4.120 -0.000 0.000 0.255 1098 V C 0.449 176.552 176.094 0.015 0.000 1.071 1098 V CA 2.855 65.157 62.300 0.003 0.000 1.050 1098 V CB -1.390 30.435 31.823 0.002 0.000 0.654 1098 V HN 0.450 nan 8.190 nan 0.000 0.448 1099 P HA -0.174 nan 4.420 nan 0.000 0.219 1099 P C 1.539 178.858 177.300 0.031 0.000 1.150 1099 P CA 1.504 64.618 63.100 0.024 0.000 0.814 1099 P CB -0.048 31.662 31.700 0.016 0.000 0.787 1100 R N 0.662 121.176 120.500 0.023 0.000 2.066 1100 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 1100 R C 2.300 178.620 176.300 0.034 0.000 1.131 1100 R CA 1.145 57.262 56.100 0.028 0.000 0.955 1100 R CB -1.876 28.432 30.300 0.013 0.000 0.851 1100 R HN 0.119 nan 8.270 nan 0.000 0.432 1101 L N 1.038 122.273 121.223 0.019 0.000 2.046 1101 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 1101 L C 2.139 179.037 176.870 0.046 0.000 1.077 1101 L CA 2.080 56.929 54.840 0.016 0.000 0.747 1101 L CB -0.764 41.295 42.059 -0.001 0.000 0.896 1101 L HN 0.294 nan 8.230 nan 0.000 0.432 1102 K N -0.399 120.035 120.400 0.056 0.000 2.063 1102 K HA -0.280 4.039 4.320 -0.000 0.000 0.208 1102 K C 2.122 178.781 176.600 0.097 0.000 1.048 1102 K CA 1.873 58.210 56.287 0.084 0.000 0.928 1102 K CB -0.181 32.368 32.500 0.082 0.000 0.713 1102 K HN 0.571 nan 8.250 nan 0.000 0.442 1103 E N 0.702 120.954 120.200 0.087 0.000 2.033 1103 E HA -0.222 4.128 4.350 -0.000 0.000 0.199 1103 E C 1.995 178.684 176.600 0.149 0.000 1.011 1103 E CA 1.973 58.436 56.400 0.104 0.000 0.815 1103 E CB -0.132 29.622 29.700 0.091 0.000 0.755 1103 E HN 0.321 nan 8.360 nan 0.000 0.451 1104 I N 0.682 121.340 120.570 0.147 0.000 2.053 1104 I HA -0.364 3.806 4.170 -0.000 0.000 0.236 1104 I C 2.576 178.820 176.117 0.212 0.000 1.038 1104 I CA 1.369 62.786 61.300 0.195 0.000 1.304 1104 I CB -0.558 37.463 38.000 0.035 0.000 1.023 1104 I HN 0.245 nan 8.210 nan 0.000 0.395 1105 L N 0.709 122.010 121.223 0.131 0.000 2.137 1105 L HA -0.269 4.071 4.340 -0.000 0.000 0.213 1105 L C 2.173 179.147 176.870 0.172 0.000 1.085 1105 L CA 1.307 56.226 54.840 0.132 0.000 0.760 1105 L CB -0.797 41.318 42.059 0.094 0.000 0.893 1105 L HN 0.397 nan 8.230 nan 0.000 0.434 1106 N N -0.490 118.312 118.700 0.171 0.000 2.409 1106 N HA -0.039 4.701 4.740 -0.000 0.000 0.179 1106 N C 0.614 176.217 175.510 0.154 0.000 1.032 1106 N CA 0.583 53.734 53.050 0.168 0.000 0.898 1106 N CB 0.255 38.831 38.487 0.147 0.000 0.971 1106 N HN 0.044 nan 8.380 nan 0.000 0.441 1107 V N 0.261 120.283 119.914 0.181 0.000 6.078 1107 V HA -0.251 3.869 4.120 -0.000 0.000 0.301 1107 V C 0.286 176.396 176.094 0.028 0.000 0.571 1107 V CA 0.349 62.718 62.300 0.115 0.000 0.625 1107 V CB -2.597 29.285 31.823 0.098 0.000 0.271 1107 V HN 0.420 nan 8.190 nan 0.000 0.788 1108 A N 1.116 123.962 122.820 0.043 0.000 2.331 1108 A HA 0.721 5.041 4.320 -0.000 0.000 0.283 1108 A C 0.936 178.500 177.584 -0.034 0.000 1.142 1108 A CA 0.250 52.296 52.037 0.015 0.000 0.812 1108 A CB 1.134 20.161 19.000 0.045 0.000 1.074 1108 A HN 0.536 nan 8.150 nan 0.000 0.497 1109 K N 1.907 122.282 120.400 -0.042 0.000 2.031 1109 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 1109 K C 0.467 177.043 176.600 -0.041 0.000 1.049 1109 K CA 1.812 58.064 56.287 -0.059 0.000 0.939 1109 K CB -0.029 32.440 32.500 -0.051 0.000 0.717 1109 K HN 0.826 nan 8.250 nan 0.000 0.438 1110 N N 2.686 121.373 118.700 -0.021 0.000 2.767 1110 N HA 0.073 4.813 4.740 -0.000 0.000 0.238 1110 N C -0.455 175.055 175.510 0.001 0.000 1.083 1110 N CA -0.149 52.893 53.050 -0.012 0.000 0.964 1110 N CB 0.110 38.591 38.487 -0.010 0.000 1.252 1110 N HN 0.245 nan 8.380 nan 0.000 0.512 1111 M N -0.773 118.830 119.600 0.005 0.000 2.235 1111 M HA 0.300 4.780 4.480 -0.000 0.000 0.351 1111 M C 0.861 177.170 176.300 0.014 0.000 1.178 1111 M CA -0.555 54.758 55.300 0.022 0.000 1.143 1111 M CB 1.620 34.244 32.600 0.041 0.000 1.530 1111 M HN 0.040 nan 8.290 nan 0.000 0.461 1112 K N 0.998 121.408 120.400 0.017 0.000 2.015 1112 K HA -0.076 4.244 4.320 -0.000 0.000 0.216 1112 K C 0.279 176.883 176.600 0.006 0.000 1.052 1112 K CA 1.671 57.964 56.287 0.010 0.000 0.937 1112 K CB -0.284 32.223 32.500 0.011 0.000 0.719 1112 K HN 0.747 nan 8.250 nan 0.000 0.446 1113 T N 2.006 116.566 114.554 0.010 0.000 2.749 1113 T HA 0.146 4.496 4.350 -0.000 0.000 0.287 1113 T C -1.951 172.752 174.700 0.004 0.000 0.970 1113 T CA -1.396 60.707 62.100 0.006 0.000 0.980 1113 T CB 1.955 70.828 68.868 0.008 0.000 0.924 1113 T HN 0.122 nan 8.240 nan 0.000 0.456 1114 P HA 0.129 nan 4.420 nan 0.000 0.242 1114 P C 0.795 178.079 177.300 -0.028 0.000 1.176 1114 P CA 0.132 63.224 63.100 -0.014 0.000 0.859 1114 P CB 0.361 32.050 31.700 -0.018 0.000 1.010 1115 S N 0.308 115.993 115.700 -0.025 0.000 2.417 1115 S HA -0.106 4.364 4.470 -0.000 0.000 0.586 1115 S C -0.194 174.372 174.600 -0.056 0.000 3.447 1115 S CA 1.377 59.558 58.200 -0.031 0.000 3.666 1115 S CB -0.872 62.316 63.200 -0.020 0.000 0.379 1115 S HN 0.524 nan 8.310 nan 0.000 1.729 1116 L N -1.107 120.080 121.223 -0.060 0.000 5.191 1116 L HA 0.406 4.746 4.340 -0.000 0.000 0.247 1116 L C -0.638 176.203 176.870 -0.049 0.000 1.137 1116 L CA 0.160 54.952 54.840 -0.080 0.000 1.068 1116 L CB -0.084 41.941 42.059 -0.058 0.000 1.770 1116 L HN 0.547 nan 8.230 nan 0.000 0.486 1117 T N 3.916 118.447 114.554 -0.039 0.000 2.743 1117 T HA 0.703 5.053 4.350 -0.000 0.000 0.293 1117 T C 0.194 174.812 174.700 -0.136 0.000 0.945 1117 T CA 0.052 62.103 62.100 -0.082 0.000 1.030 1117 T CB 1.251 70.094 68.868 -0.042 0.000 0.912 1117 T HN 1.158 nan 8.240 nan 0.000 0.483 1118 V N 1.742 121.549 119.914 -0.178 0.000 2.448 1118 V HA 0.631 4.751 4.120 -0.000 0.000 0.295 1118 V C -1.116 174.869 176.094 -0.181 0.000 1.025 1118 V CA -1.271 60.969 62.300 -0.099 0.000 0.859 1118 V CB 0.323 32.140 31.823 -0.009 0.000 0.988 1118 V HN 0.737 nan 8.190 nan 0.000 0.431 1119 Y N 3.618 123.986 120.300 0.113 0.000 2.335 1119 Y HA 0.630 5.180 4.550 -0.000 0.000 0.323 1119 Y C 0.758 176.717 175.900 0.098 0.000 1.224 1119 Y CA -0.659 57.508 58.100 0.112 0.000 1.241 1119 Y CB 1.155 39.689 38.460 0.123 0.000 1.235 1119 Y HN 0.541 nan 8.280 nan 0.000 0.492 1120 L N 0.653 122.032 121.223 0.259 0.000 2.237 1120 L HA -0.007 4.333 4.340 -0.000 0.000 0.163 1120 L C 0.402 177.384 176.870 0.186 0.000 0.816 1120 L CA 0.421 55.375 54.840 0.190 0.000 1.199 1120 L CB -0.245 41.932 42.059 0.196 0.000 1.458 1120 L HN 0.627 nan 8.230 nan 0.000 0.441 1121 E N -1.234 119.083 120.200 0.194 0.000 2.212 1121 E HA 0.253 4.603 4.350 -0.000 0.000 0.268 1121 E C -1.925 174.746 176.600 0.120 0.000 0.902 1121 E CA -1.775 54.731 56.400 0.175 0.000 0.779 1121 E CB 1.695 31.542 29.700 0.245 0.000 1.172 1121 E HN 0.158 nan 8.360 nan 0.000 0.409 1122 P HA -0.347 nan 4.420 nan 0.000 0.225 1122 P C 0.934 178.209 177.300 -0.041 0.000 0.810 1122 P CA 2.377 65.479 63.100 0.003 0.000 1.060 1122 P CB -0.113 31.578 31.700 -0.016 0.000 0.728 1123 G N -0.413 108.296 108.800 -0.151 0.000 2.771 1123 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.214 1123 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.214 1123 G C 0.129 174.923 174.900 -0.176 0.000 1.331 1123 G CA 0.815 45.770 45.100 -0.242 0.000 0.812 1123 G HN 0.476 nan 8.290 nan 0.000 0.628 1124 H N 1.657 120.751 119.070 0.040 0.000 3.343 1124 H HA 0.149 4.704 4.556 -0.000 0.000 0.207 1124 H C 1.039 176.413 175.328 0.076 0.000 0.784 1124 H CA 0.458 56.534 56.048 0.047 0.000 1.351 1124 H CB -0.550 29.233 29.762 0.036 0.000 1.527 1124 H HN 0.389 nan 8.280 nan 0.000 0.512 1125 A N 3.368 126.283 122.820 0.157 0.000 2.213 1125 A HA 0.415 4.735 4.320 -0.000 0.000 0.220 1125 A C 2.125 179.856 177.584 0.246 0.000 2.232 1125 A CA 0.409 52.552 52.037 0.177 0.000 1.017 1125 A CB -0.684 18.390 19.000 0.122 0.000 1.372 1125 A HN 0.554 nan 8.150 nan 0.000 0.614 1126 A N 0.005 122.958 122.820 0.222 0.000 2.225 1126 A HA 0.008 4.328 4.320 -0.000 0.000 0.215 1126 A C 0.411 178.129 177.584 0.224 0.000 1.164 1126 A CA 0.771 52.992 52.037 0.307 0.000 0.710 1126 A CB -0.749 18.375 19.000 0.206 0.000 0.780 1126 A HN 0.437 nan 8.150 nan 0.000 0.473 1127 D N 0.657 121.131 120.400 0.123 0.000 2.612 1127 D HA -0.033 4.607 4.640 -0.000 0.000 0.260 1127 D C 1.463 177.648 176.300 -0.191 0.000 1.315 1127 D CA 0.487 54.490 54.000 0.005 0.000 1.376 1127 D CB 0.266 41.097 40.800 0.052 0.000 1.147 1127 D HN 0.562 nan 8.370 nan 0.000 0.521 1128 Q N 2.295 121.906 119.800 -0.315 0.000 2.103 1128 Q HA -0.280 4.059 4.340 -0.000 0.000 0.213 1128 Q C 1.654 177.337 176.000 -0.529 0.000 1.008 1128 Q CA 2.158 57.558 55.803 -0.670 0.000 0.879 1128 Q CB -0.067 28.425 28.738 -0.411 0.000 0.946 1128 Q HN 0.599 nan 8.270 nan 0.000 0.413 1129 E N -1.292 118.731 120.200 -0.294 0.000 2.158 1129 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 1129 E C 1.921 178.409 176.600 -0.187 0.000 0.982 1129 E CA 0.766 57.031 56.400 -0.225 0.000 0.823 1129 E CB -0.114 29.495 29.700 -0.151 0.000 0.766 1129 E HN 0.445 nan 8.360 nan 0.000 0.468 1130 Q N 0.931 120.637 119.800 -0.157 0.000 2.248 1130 Q HA -0.193 4.147 4.340 -0.000 0.000 0.208 1130 Q C 1.627 177.552 176.000 -0.126 0.000 0.984 1130 Q CA 1.932 57.654 55.803 -0.134 0.000 0.875 1130 Q CB -0.407 28.274 28.738 -0.096 0.000 0.910 1130 Q HN 0.332 nan 8.270 nan 0.000 0.433 1131 A N 0.562 123.287 122.820 -0.157 0.000 1.841 1131 A HA -0.195 4.125 4.320 -0.000 0.000 0.214 1131 A C 1.961 179.468 177.584 -0.128 0.000 1.195 1131 A CA 1.663 53.624 52.037 -0.126 0.000 0.611 1131 A CB -0.511 18.372 19.000 -0.194 0.000 0.835 1131 A HN 0.448 nan 8.150 nan 0.000 0.443 1132 K N -0.263 120.029 120.400 -0.179 0.000 2.000 1132 K HA -0.203 4.117 4.320 -0.000 0.000 0.218 1132 K C 1.821 178.353 176.600 -0.113 0.000 1.053 1132 K CA 1.814 58.008 56.287 -0.154 0.000 0.946 1132 K CB -0.715 31.681 32.500 -0.172 0.000 0.723 1132 K HN 0.423 nan 8.250 nan 0.000 0.446 1133 L N 0.886 122.043 121.223 -0.111 0.000 2.211 1133 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 1133 L C 2.286 179.113 176.870 -0.072 0.000 1.092 1133 L CA 1.234 56.020 54.840 -0.090 0.000 0.767 1133 L CB -0.472 41.529 42.059 -0.098 0.000 0.894 1133 L HN 0.273 nan 8.230 nan 0.000 0.437 1134 I N -1.610 118.920 120.570 -0.067 0.000 2.494 1134 I HA -0.169 4.001 4.170 -0.000 0.000 0.250 1134 I C 2.705 178.804 176.117 -0.031 0.000 1.112 1134 I CA 0.428 61.703 61.300 -0.042 0.000 1.438 1134 I CB -0.443 37.540 38.000 -0.028 0.000 1.111 1134 I HN 0.215 nan 8.210 nan 0.000 0.431 1135 R N 2.060 122.536 120.500 -0.039 0.000 2.122 1135 R HA -0.228 4.112 4.340 -0.000 0.000 0.236 1135 R C 1.959 178.248 176.300 -0.018 0.000 1.129 1135 R CA 2.529 58.613 56.100 -0.026 0.000 0.925 1135 R CB -0.582 29.688 30.300 -0.049 0.000 0.850 1135 R HN 0.432 nan 8.270 nan 0.000 0.431 1136 S N -0.811 114.865 115.700 -0.040 0.000 2.981 1136 S HA 0.172 4.642 4.470 -0.000 0.000 0.235 1136 S C 0.814 175.398 174.600 -0.026 0.000 0.983 1136 S CA 0.373 58.553 58.200 -0.034 0.000 1.051 1136 S CB 0.511 63.679 63.200 -0.054 0.000 0.814 1136 S HN 0.519 nan 8.310 nan 0.000 0.518 1137 A N 0.112 122.922 122.820 -0.016 0.000 2.548 1137 A HA 0.560 4.880 4.320 -0.000 0.000 0.236 1137 A C 1.241 178.827 177.584 0.004 0.000 1.246 1137 A CA -0.174 51.856 52.037 -0.012 0.000 0.993 1137 A CB 0.195 19.184 19.000 -0.018 0.000 1.209 1137 A HN 0.553 nan 8.150 nan 0.000 0.570 1138 I N -1.186 119.391 120.570 0.012 0.000 3.518 1138 I HA 0.171 4.341 4.170 -0.000 0.000 0.260 1138 I C 0.952 177.097 176.117 0.047 0.000 1.148 1138 I CA -0.117 61.198 61.300 0.025 0.000 1.440 1138 I CB -0.444 37.568 38.000 0.020 0.000 1.485 1138 I HN 0.266 nan 8.210 nan 0.000 0.456 1139 E N 3.192 123.421 120.200 0.049 0.000 2.694 1139 E HA -0.190 4.160 4.350 -0.000 0.000 0.250 1139 E C -0.112 176.544 176.600 0.095 0.000 0.963 1139 E CA 0.117 56.561 56.400 0.073 0.000 0.949 1139 E CB 0.159 29.905 29.700 0.077 0.000 0.911 1139 E HN 0.226 nan 8.360 nan 0.000 0.500 1140 H N 3.449 122.519 119.070 0.000 0.000 2.975 1140 H HA 0.134 4.690 4.556 -0.000 0.000 0.303 1140 H C -1.062 174.263 175.328 -0.005 0.000 1.023 1140 H CA 0.556 56.600 56.048 -0.006 0.000 1.473 1140 H CB 0.657 30.414 29.762 -0.009 0.000 1.498 1140 H HN 0.355 nan 8.280 nan 0.000 0.549 1141 T N 5.149 119.518 114.554 -0.309 0.000 2.881 1141 T HA 0.311 4.661 4.350 -0.000 0.000 0.291 1141 T C -0.639 173.853 174.700 -0.346 0.000 0.990 1141 T CA -0.790 61.162 62.100 -0.247 0.000 0.976 1141 T CB 0.843 69.641 68.868 -0.116 0.000 0.970 1141 T HN 0.738 nan 8.240 nan 0.000 0.438 1142 T N 1.044 115.424 114.554 -0.290 0.000 2.888 1142 T HA 0.473 4.823 4.350 -0.000 0.000 0.284 1142 T C 1.311 175.942 174.700 -0.114 0.000 1.017 1142 T CA -0.951 61.021 62.100 -0.214 0.000 1.022 1142 T CB 1.285 70.054 68.868 -0.165 0.000 1.013 1142 T HN 0.236 nan 8.240 nan 0.000 0.465 1143 L N 1.602 122.773 121.223 -0.087 0.000 2.103 1143 L HA -0.143 4.196 4.340 -0.000 0.000 0.215 1143 L C 2.485 179.330 176.870 -0.042 0.000 1.080 1143 L CA 2.100 56.904 54.840 -0.059 0.000 0.764 1143 L CB -0.987 41.049 42.059 -0.038 0.000 0.890 1143 L HN 0.959 nan 8.230 nan 0.000 0.435 1144 K N -0.686 119.694 120.400 -0.033 0.000 2.074 1144 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 1144 K C 2.091 178.679 176.600 -0.021 0.000 1.048 1144 K CA 1.964 58.240 56.287 -0.018 0.000 0.926 1144 K CB -0.263 32.231 32.500 -0.010 0.000 0.713 1144 K HN 0.681 nan 8.250 nan 0.000 0.444 1145 S N -0.103 115.579 115.700 -0.032 0.000 2.442 1145 S HA -0.097 4.373 4.470 -0.000 0.000 0.236 1145 S C 1.824 176.410 174.600 -0.024 0.000 1.007 1145 S CA 1.155 59.340 58.200 -0.026 0.000 0.965 1145 S CB -0.282 62.899 63.200 -0.033 0.000 0.773 1145 S HN 0.283 nan 8.310 nan 0.000 0.504 1146 V N -1.798 118.097 119.914 -0.031 0.000 3.644 1146 V HA 0.261 4.381 4.120 -0.000 0.000 0.267 1146 V C 0.550 176.630 176.094 -0.023 0.000 1.277 1146 V CA -0.008 62.274 62.300 -0.030 0.000 1.096 1146 V CB -0.964 30.833 31.823 -0.044 0.000 0.828 1146 V HN 0.307 nan 8.190 nan 0.000 0.446 1147 T N 1.549 116.091 114.554 -0.019 0.000 2.832 1147 T HA 0.548 4.898 4.350 -0.000 0.000 0.296 1147 T C 1.114 175.811 174.700 -0.004 0.000 0.968 1147 T CA 0.017 62.110 62.100 -0.012 0.000 1.107 1147 T CB 2.031 70.894 68.868 -0.008 0.000 0.916 1147 T HN 0.177 nan 8.240 nan 0.000 0.517 1148 I N 1.246 121.816 120.570 0.001 0.000 2.585 1148 I HA 0.298 4.468 4.170 -0.000 0.000 0.254 1148 I C 1.187 177.312 176.117 0.012 0.000 1.129 1148 I CA 0.338 61.641 61.300 0.006 0.000 1.455 1148 I CB 0.107 38.111 38.000 0.008 0.000 1.111 1148 I HN 0.677 nan 8.210 nan 0.000 0.433 1149 A N -0.029 122.800 122.820 0.016 0.000 2.599 1149 A HA 0.595 4.915 4.320 -0.000 0.000 0.294 1149 A C -0.780 176.822 177.584 0.030 0.000 1.055 1149 A CA -0.435 51.617 52.037 0.025 0.000 0.683 1149 A CB 1.024 20.044 19.000 0.034 0.000 1.278 1149 A HN 0.085 nan 8.150 nan 0.000 0.412 1150 S N 0.351 116.073 115.700 0.037 0.000 2.600 1150 S HA 0.933 5.403 4.470 -0.000 0.000 0.300 1150 S C -0.698 173.947 174.600 0.076 0.000 1.087 1150 S CA -0.569 57.657 58.200 0.043 0.000 0.965 1150 S CB 1.919 65.136 63.200 0.029 0.000 1.089 1150 S HN 0.760 nan 8.310 nan 0.000 0.496 1151 E N 0.191 120.458 120.200 0.112 0.000 2.392 1151 E HA 0.474 4.824 4.350 -0.000 0.000 0.279 1151 E C -1.433 175.309 176.600 0.237 0.000 0.964 1151 E CA -0.696 55.827 56.400 0.204 0.000 0.777 1151 E CB 2.129 32.073 29.700 0.406 0.000 1.249 1151 E HN 0.681 nan 8.360 nan 0.000 0.449 1152 I N 2.286 123.010 120.570 0.256 0.000 2.437 1152 I HA 0.352 4.522 4.170 -0.000 0.000 0.279 1152 I C -1.007 175.358 176.117 0.413 0.000 1.028 1152 I CA -0.765 60.689 61.300 0.257 0.000 1.142 1152 I CB 0.097 38.147 38.000 0.083 0.000 1.266 1152 I HN 0.325 nan 8.210 nan 0.000 0.461 1153 Y N 3.945 124.357 120.300 0.187 0.000 2.392 1153 Y HA 0.293 4.843 4.550 -0.000 0.000 0.323 1153 Y C -0.247 175.895 175.900 0.403 0.000 1.291 1153 Y CA -1.026 57.218 58.100 0.242 0.000 1.345 1153 Y CB 0.653 39.195 38.460 0.137 0.000 1.320 1153 Y HN 0.403 nan 8.280 nan 0.000 0.518 1154 Y N 1.929 122.472 120.300 0.404 0.000 2.587 1154 Y HA 0.323 4.873 4.550 -0.000 0.000 0.328 1154 Y C -0.981 174.921 175.900 0.004 0.000 0.980 1154 Y CA -0.748 57.417 58.100 0.108 0.000 1.272 1154 Y CB 0.297 38.743 38.460 -0.024 0.000 1.094 1154 Y HN 0.506 nan 8.280 nan 0.000 0.503 1155 D N 8.599 128.701 120.400 -0.496 0.000 2.440 1155 D HA 0.238 4.878 4.640 -0.000 0.000 0.252 1155 D C -2.210 173.761 176.300 -0.548 0.000 1.180 1155 D CA -1.738 52.033 54.000 -0.380 0.000 0.894 1155 D CB 2.413 43.135 40.800 -0.130 0.000 1.111 1155 D HN 0.308 nan 8.370 nan 0.000 0.544 1156 P HA 0.016 nan 4.420 nan 0.000 0.230 1156 P C 0.156 177.324 177.300 -0.219 0.000 1.168 1156 P CA 0.214 63.040 63.100 -0.457 0.000 0.793 1156 P CB 0.700 32.179 31.700 -0.367 0.000 0.851 1157 D N 2.184 122.491 120.400 -0.155 0.000 2.411 1157 D HA 0.112 4.752 4.640 -0.000 0.000 0.225 1157 D C -1.425 174.838 176.300 -0.062 0.000 1.156 1157 D CA -2.424 51.528 54.000 -0.080 0.000 0.874 1157 D CB 0.615 41.390 40.800 -0.041 0.000 1.034 1157 D HN 0.074 nan 8.370 nan 0.000 0.502 1158 P HA -0.036 nan 4.420 nan 0.000 0.259 1158 P C 0.115 177.405 177.300 -0.016 0.000 1.307 1158 P CA 0.340 63.408 63.100 -0.054 0.000 0.768 1158 P CB 0.210 31.856 31.700 -0.091 0.000 1.199 1159 R N -0.597 119.923 120.500 0.034 0.000 2.549 1159 R HA 0.227 4.567 4.340 -0.000 0.000 0.361 1159 R C 0.099 176.497 176.300 0.164 0.000 0.969 1159 R CA 0.099 56.286 56.100 0.145 0.000 1.158 1159 R CB 0.766 31.171 30.300 0.176 0.000 1.456 1159 R HN 0.215 nan 8.270 nan 0.000 0.540 1160 S N -0.972 114.775 115.700 0.078 0.000 2.586 1160 S HA 0.311 4.780 4.470 -0.000 0.000 0.277 1160 S C -0.844 173.770 174.600 0.022 0.000 1.131 1160 S CA -0.780 57.457 58.200 0.062 0.000 0.848 1160 S CB 2.256 65.485 63.200 0.049 0.000 1.091 1160 S HN -0.104 nan 8.310 nan 0.000 0.453 1161 T N 1.979 116.546 114.554 0.021 0.000 2.823 1161 T HA 0.436 4.786 4.350 -0.000 0.000 0.279 1161 T C 1.188 175.905 174.700 0.029 0.000 0.998 1161 T CA -0.627 61.477 62.100 0.007 0.000 0.994 1161 T CB 1.561 70.421 68.868 -0.014 0.000 0.960 1161 T HN 0.689 nan 8.240 nan 0.000 0.448 1162 V N 2.874 122.817 119.914 0.048 0.000 3.330 1162 V HA -0.011 4.109 4.120 -0.000 0.000 0.273 1162 V C 0.706 176.859 176.094 0.099 0.000 1.179 1162 V CA 1.233 63.581 62.300 0.080 0.000 1.174 1162 V CB -1.241 30.652 31.823 0.117 0.000 0.794 1162 V HN 0.653 nan 8.190 nan 0.000 0.527 1163 I N 1.317 121.936 120.570 0.083 0.000 2.412 1163 I HA 0.279 4.449 4.170 -0.000 0.000 0.296 1163 I C -0.933 175.212 176.117 0.045 0.000 0.987 1163 I CA -2.109 59.241 61.300 0.083 0.000 1.180 1163 I CB 1.847 39.881 38.000 0.057 0.000 1.340 1163 I HN -0.074 nan 8.210 nan 0.000 0.455 1164 P HA -0.153 nan 4.420 nan 0.000 0.212 1164 P C 0.978 178.292 177.300 0.024 0.000 1.180 1164 P CA 1.527 64.647 63.100 0.033 0.000 0.906 1164 P CB 0.197 31.918 31.700 0.034 0.000 0.782 1165 E N 0.020 120.233 120.200 0.023 0.000 2.236 1165 E HA -0.232 4.118 4.350 -0.000 0.000 0.205 1165 E C 1.319 177.922 176.600 0.004 0.000 1.028 1165 E CA 1.773 58.182 56.400 0.015 0.000 0.827 1165 E CB -0.681 29.028 29.700 0.016 0.000 0.735 1165 E HN 0.360 nan 8.360 nan 0.000 0.470 1166 D N -0.227 120.170 120.400 -0.006 0.000 2.340 1166 D HA -0.012 4.628 4.640 -0.000 0.000 0.220 1166 D C 1.308 177.609 176.300 0.001 0.000 1.039 1166 D CA 0.224 54.213 54.000 -0.019 0.000 0.866 1166 D CB 0.138 40.906 40.800 -0.055 0.000 0.913 1166 D HN 0.226 nan 8.370 nan 0.000 0.523 1167 E N 0.638 120.848 120.200 0.018 0.000 2.031 1167 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 1167 E C 1.687 178.320 176.600 0.054 0.000 0.994 1167 E CA 0.736 57.158 56.400 0.038 0.000 0.800 1167 E CB -0.033 29.687 29.700 0.034 0.000 0.752 1167 E HN 0.367 nan 8.360 nan 0.000 0.447 1168 E N 0.695 120.919 120.200 0.039 0.000 2.331 1168 E HA -0.188 4.162 4.350 -0.000 0.000 0.199 1168 E C 1.857 178.487 176.600 0.050 0.000 1.008 1168 E CA 0.547 56.974 56.400 0.045 0.000 0.843 1168 E CB -0.016 29.702 29.700 0.029 0.000 0.761 1168 E HN 0.279 nan 8.360 nan 0.000 0.507 1169 I N 0.323 120.911 120.570 0.031 0.000 2.500 1169 I HA -0.186 3.984 4.170 -0.000 0.000 0.252 1169 I C 1.997 178.116 176.117 0.003 0.000 1.142 1169 I CA 0.529 61.830 61.300 0.001 0.000 1.451 1169 I CB -0.079 37.899 38.000 -0.036 0.000 1.093 1169 I HN 0.164 nan 8.210 nan 0.000 0.430 1170 I N 0.140 120.740 120.570 0.050 0.000 2.333 1170 I HA -0.207 3.963 4.170 -0.000 0.000 0.246 1170 I C 2.360 178.612 176.117 0.224 0.000 1.106 1170 I CA 0.973 62.302 61.300 0.047 0.000 1.411 1170 I CB -0.728 37.336 38.000 0.106 0.000 1.082 1170 I HN 0.174 nan 8.210 nan 0.000 0.420 1171 Q N 1.319 121.375 119.800 0.426 0.000 2.217 1171 Q HA -0.176 4.164 4.340 -0.000 0.000 0.209 1171 Q C 2.257 178.498 176.000 0.402 0.000 0.988 1171 Q CA 1.443 57.560 55.803 0.523 0.000 0.878 1171 Q CB -0.307 28.544 28.738 0.188 0.000 0.909 1171 Q HN 0.593 nan 8.270 nan 0.000 0.424 1172 L N -1.064 120.284 121.223 0.207 0.000 2.418 1172 L HA -0.037 4.303 4.340 -0.000 0.000 0.218 1172 L C 1.526 178.450 176.870 0.091 0.000 1.125 1172 L CA 0.426 55.337 54.840 0.118 0.000 0.835 1172 L CB -0.103 41.989 42.059 0.055 0.000 0.953 1172 L HN 0.191 nan 8.230 nan 0.000 0.454 1173 H N -0.954 118.082 119.070 -0.056 0.000 2.538 1173 H HA 0.128 4.684 4.556 -0.000 0.000 0.286 1173 H C 1.124 176.293 175.328 -0.264 0.000 1.035 1173 H CA 0.183 56.116 56.048 -0.192 0.000 1.169 1173 H CB 0.035 29.632 29.762 -0.274 0.000 1.417 1173 H HN 0.142 nan 8.280 nan 0.000 0.567 1174 F N -1.207 118.716 119.950 -0.044 0.000 2.731 1174 F HA 0.042 4.568 4.527 -0.000 0.000 0.298 1174 F C 2.336 178.085 175.800 -0.084 0.000 1.106 1174 F CA 0.398 58.364 58.000 -0.057 0.000 1.329 1174 F CB 0.265 39.252 39.000 -0.023 0.000 1.100 1174 F HN 0.189 nan 8.300 nan 0.000 0.592 1175 S N 1.061 116.800 115.700 0.064 0.000 2.595 1175 S HA -0.131 4.339 4.470 -0.000 0.000 0.235 1175 S C 1.745 176.304 174.600 -0.069 0.000 0.974 1175 S CA 0.559 58.761 58.200 0.003 0.000 0.942 1175 S CB -1.240 61.952 63.200 -0.012 0.000 0.766 1175 S HN 0.434 nan 8.310 nan 0.000 0.536 1176 L N -0.467 120.664 121.223 -0.154 0.000 2.386 1176 L HA -0.221 4.119 4.340 -0.000 0.000 0.248 1176 L C 1.352 178.147 176.870 -0.124 0.000 1.129 1176 L CA 1.792 56.498 54.840 -0.223 0.000 0.812 1176 L CB -1.369 40.602 42.059 -0.147 0.000 0.995 1176 L HN 0.412 nan 8.230 nan 0.000 0.419 1188 Q N 0.838 120.600 119.800 -0.065 0.000 2.712 1188 Q HA 0.711 5.051 4.340 -0.000 0.000 0.267 1188 Q C -1.104 174.883 176.000 -0.022 0.000 1.062 1188 Q CA -0.746 55.030 55.803 -0.044 0.000 0.888 1188 Q CB 2.217 30.909 28.738 -0.077 0.000 1.374 1188 Q HN 0.106 nan 8.270 nan 0.000 0.498 1189 S N 0.365 116.069 115.700 0.007 0.000 2.565 1189 S HA 0.371 4.841 4.470 -0.000 0.000 0.290 1189 S C -1.991 172.578 174.600 -0.051 0.000 1.150 1189 S CA -1.889 56.323 58.200 0.020 0.000 1.058 1189 S CB 0.786 64.058 63.200 0.120 0.000 1.032 1189 S HN 0.426 nan 8.310 nan 0.000 0.510 1190 P HA 0.073 nan 4.420 nan 0.000 0.241 1190 P C -0.437 176.577 177.300 -0.478 0.000 1.191 1190 P CA 0.128 62.975 63.100 -0.422 0.000 0.771 1190 P CB -0.027 31.310 31.700 -0.605 0.000 0.929 1191 W N 1.123 122.384 121.300 -0.065 0.000 2.437 1191 W HA 0.361 5.021 4.660 -0.000 0.000 0.312 1191 W C 0.331 176.844 176.519 -0.010 0.000 1.242 1191 W CA -0.969 56.375 57.345 -0.001 0.000 1.340 1191 W CB 0.514 30.010 29.460 0.059 0.000 1.327 1191 W HN -0.105 nan 8.180 nan 0.000 0.476 1192 L N 5.686 127.102 121.223 0.320 0.000 2.325 1192 L HA 0.597 4.937 4.340 -0.000 0.000 0.279 1192 L C -1.016 175.946 176.870 0.154 0.000 1.054 1192 L CA -0.815 54.121 54.840 0.161 0.000 0.804 1192 L CB 0.898 43.000 42.059 0.073 0.000 1.200 1192 L HN 0.299 nan 8.230 nan 0.000 0.436 1193 L N 5.334 126.592 121.223 0.058 0.000 2.349 1193 L HA 0.605 4.945 4.340 -0.000 0.000 0.278 1193 L C -0.949 175.909 176.870 -0.020 0.000 0.996 1193 L CA -0.290 54.569 54.840 0.031 0.000 0.825 1193 L CB 1.213 43.271 42.059 -0.002 0.000 1.243 1193 L HN 0.777 nan 8.230 nan 0.000 0.412 1194 R N 5.150 125.636 120.500 -0.024 0.000 2.561 1194 R HA 0.800 5.140 4.340 -0.000 0.000 0.297 1194 R C -1.818 174.466 176.300 -0.027 0.000 0.969 1194 R CA -0.624 55.432 56.100 -0.073 0.000 0.879 1194 R CB 1.296 31.470 30.300 -0.210 0.000 1.178 1194 R HN 0.756 nan 8.270 nan 0.000 0.445 1195 L N 2.804 124.011 121.223 -0.026 0.000 2.346 1195 L HA 0.506 4.846 4.340 -0.000 0.000 0.276 1195 L C -0.393 176.471 176.870 -0.010 0.000 1.006 1195 L CA -0.759 54.075 54.840 -0.009 0.000 0.817 1195 L CB 2.047 44.100 42.059 -0.010 0.000 1.272 1195 L HN 0.631 nan 8.230 nan 0.000 0.421 1196 E N 3.573 123.773 120.200 0.001 0.000 2.133 1196 E HA 0.524 4.874 4.350 -0.000 0.000 0.274 1196 E C -1.302 175.297 176.600 -0.001 0.000 0.930 1196 E CA -0.581 55.820 56.400 0.002 0.000 0.770 1196 E CB 1.323 31.030 29.700 0.012 0.000 1.104 1196 E HN 0.479 nan 8.360 nan 0.000 0.403 1197 L N 2.695 123.914 121.223 -0.007 0.000 2.375 1197 L HA 0.376 4.716 4.340 -0.000 0.000 0.268 1197 L C 0.378 177.243 176.870 -0.009 0.000 1.058 1197 L CA -0.890 53.942 54.840 -0.013 0.000 0.803 1197 L CB 1.020 43.064 42.059 -0.025 0.000 1.212 1197 L HN 0.517 nan 8.230 nan 0.000 0.451 1198 D N 0.729 121.123 120.400 -0.011 0.000 2.225 1198 D HA 0.130 4.770 4.640 -0.000 0.000 0.248 1198 D C 0.755 177.049 176.300 -0.010 0.000 1.096 1198 D CA -0.132 53.864 54.000 -0.007 0.000 0.863 1198 D CB 1.635 42.431 40.800 -0.006 0.000 1.156 1198 D HN 0.424 nan 8.370 nan 0.000 0.450 1199 R N 2.668 123.164 120.500 -0.006 0.000 2.070 1199 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 1199 R C 2.024 178.319 176.300 -0.009 0.000 1.138 1199 R CA 1.719 57.814 56.100 -0.007 0.000 0.936 1199 R CB -0.224 30.074 30.300 -0.003 0.000 0.839 1199 R HN 0.572 nan 8.270 nan 0.000 0.429 1200 A N 0.836 123.652 122.820 -0.005 0.000 1.873 1200 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 1200 A C 2.333 179.914 177.584 -0.004 0.000 1.193 1200 A CA 2.124 54.158 52.037 -0.004 0.000 0.629 1200 A CB -1.020 17.980 19.000 -0.001 0.000 0.826 1200 A HN 0.549 nan 8.150 nan 0.000 0.447 1201 A N -1.463 121.354 122.820 -0.005 0.000 2.076 1201 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 1201 A C 1.980 179.555 177.584 -0.015 0.000 1.160 1201 A CA 1.905 53.937 52.037 -0.007 0.000 0.653 1201 A CB -0.435 18.559 19.000 -0.010 0.000 0.801 1201 A HN 0.460 nan 8.150 nan 0.000 0.455 1202 M N -0.211 119.378 119.600 -0.020 0.000 2.556 1202 M HA 0.054 4.534 4.480 -0.000 0.000 0.245 1202 M C 0.887 177.170 176.300 -0.029 0.000 1.128 1202 M CA 0.555 55.838 55.300 -0.030 0.000 1.069 1202 M CB -0.919 31.662 32.600 -0.033 0.000 1.469 1202 M HN 0.421 nan 8.290 nan 0.000 0.494 1203 N N 0.131 118.818 118.700 -0.021 0.000 2.508 1203 N HA -0.085 4.655 4.740 -0.000 0.000 0.186 1203 N C 1.380 176.874 175.510 -0.026 0.000 1.034 1203 N CA 0.614 53.650 53.050 -0.024 0.000 0.885 1203 N CB -0.195 38.281 38.487 -0.019 0.000 1.135 1203 N HN 0.342 nan 8.380 nan 0.000 0.435 1204 D N 1.385 121.779 120.400 -0.010 0.000 2.149 1204 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 1204 D C -0.214 176.081 176.300 -0.009 0.000 1.001 1204 D CA 1.168 55.172 54.000 0.006 0.000 0.849 1204 D CB 0.229 41.056 40.800 0.044 0.000 0.939 1204 D HN 0.199 nan 8.370 nan 0.000 0.449 1205 K N 1.639 122.034 120.400 -0.009 0.000 2.530 1205 K HA 0.121 4.441 4.320 -0.000 0.000 0.230 1205 K C -0.890 175.687 176.600 -0.038 0.000 1.002 1205 K CA -0.705 55.571 56.287 -0.019 0.000 1.014 1205 K CB 1.522 34.019 32.500 -0.005 0.000 1.286 1205 K HN -0.045 nan 8.250 nan 0.000 0.480 1206 D N 2.922 123.293 120.400 -0.050 0.000 3.139 1206 D HA -0.116 4.524 4.640 -0.000 0.000 0.212 1206 D C -0.434 175.834 176.300 -0.053 0.000 1.084 1206 D CA 1.332 55.301 54.000 -0.051 0.000 0.777 1206 D CB 0.439 41.205 40.800 -0.057 0.000 1.156 1206 D HN 0.386 nan 8.370 nan 0.000 0.537 1207 L N 1.941 123.132 121.223 -0.053 0.000 2.582 1207 L HA 0.339 4.679 4.340 -0.000 0.000 0.257 1207 L C -0.339 176.492 176.870 -0.066 0.000 0.974 1207 L CA -0.727 54.074 54.840 -0.065 0.000 0.851 1207 L CB 2.587 44.603 42.059 -0.071 0.000 1.424 1207 L HN 0.186 nan 8.230 nan 0.000 0.412 1208 T N 0.993 115.495 114.554 -0.087 0.000 2.876 1208 T HA 0.345 4.695 4.350 -0.000 0.000 0.289 1208 T C 0.874 175.479 174.700 -0.157 0.000 1.014 1208 T CA -0.716 61.331 62.100 -0.089 0.000 0.986 1208 T CB 2.087 70.913 68.868 -0.070 0.000 1.021 1208 T HN 0.403 nan 8.240 nan 0.000 0.458 1209 M N 1.547 121.053 119.600 -0.158 0.000 2.080 1209 M HA -0.030 4.449 4.480 -0.000 0.000 0.260 1209 M C 2.524 178.436 176.300 -0.646 0.000 1.068 1209 M CA 1.873 56.986 55.300 -0.312 0.000 1.109 1209 M CB -1.791 30.725 32.600 -0.141 0.000 1.342 1209 M HN 0.892 nan 8.290 nan 0.000 0.405 1210 G N 0.192 108.756 108.800 -0.394 0.000 2.628 1210 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 1210 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 1210 G C 1.422 176.039 174.900 -0.471 0.000 1.240 1210 G CA 1.175 46.055 45.100 -0.366 0.000 0.792 1210 G HN 0.534 nan 8.290 nan 0.000 0.593 1211 Q N -0.241 119.399 119.800 -0.267 0.000 1.943 1211 Q HA -0.190 4.150 4.340 -0.000 0.000 0.213 1211 Q C 2.791 178.613 176.000 -0.296 0.000 1.017 1211 Q CA 2.168 57.841 55.803 -0.215 0.000 0.874 1211 Q CB -0.838 27.811 28.738 -0.147 0.000 0.960 1211 Q HN 0.311 nan 8.270 nan 0.000 0.417 1212 V N 0.719 120.451 119.914 -0.303 0.000 2.258 1212 V HA -0.398 3.722 4.120 -0.000 0.000 0.252 1212 V C 2.181 178.061 176.094 -0.356 0.000 1.039 1212 V CA 2.327 64.452 62.300 -0.292 0.000 1.060 1212 V CB -1.701 29.944 31.823 -0.296 0.000 0.690 1212 V HN 0.748 nan 8.190 nan 0.000 0.482 1213 G N -1.046 107.389 108.800 -0.607 0.000 2.491 1213 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 1213 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 1213 G C 1.382 176.022 174.900 -0.434 0.000 1.180 1213 G CA 1.018 45.748 45.100 -0.615 0.000 0.774 1213 G HN 0.564 nan 8.290 nan 0.000 0.562 1214 E N 0.152 120.017 120.200 -0.557 0.000 2.197 1214 E HA -0.240 4.110 4.350 -0.000 0.000 0.205 1214 E C 2.544 179.094 176.600 -0.083 0.000 1.029 1214 E CA 1.374 57.666 56.400 -0.181 0.000 0.828 1214 E CB -0.149 29.470 29.700 -0.135 0.000 0.737 1214 E HN 0.313 nan 8.360 nan 0.000 0.464 1215 R N 0.559 120.987 120.500 -0.121 0.000 2.062 1215 R HA 0.033 4.373 4.340 -0.000 0.000 0.226 1215 R C 2.442 178.733 176.300 -0.017 0.000 1.125 1215 R CA 0.882 56.944 56.100 -0.064 0.000 0.966 1215 R CB -0.619 29.632 30.300 -0.083 0.000 0.861 1215 R HN 0.162 nan 8.270 nan 0.000 0.433 1216 I N 0.695 121.256 120.570 -0.015 0.000 2.118 1216 I HA -0.367 3.803 4.170 -0.000 0.000 0.241 1216 I C 2.399 178.637 176.117 0.202 0.000 1.070 1216 I CA 1.851 63.212 61.300 0.102 0.000 1.327 1216 I CB -0.461 37.581 38.000 0.071 0.000 1.034 1216 I HN 0.224 nan 8.210 nan 0.000 0.405 1217 K N 1.182 121.664 120.400 0.136 0.000 2.063 1217 K HA -0.245 4.075 4.320 -0.000 0.000 0.208 1217 K C 2.206 178.901 176.600 0.158 0.000 1.048 1217 K CA 1.836 58.225 56.287 0.170 0.000 0.928 1217 K CB -0.095 32.507 32.500 0.169 0.000 0.713 1217 K HN 0.533 nan 8.250 nan 0.000 0.442 1218 Q N -1.058 118.800 119.800 0.096 0.000 2.435 1218 Q HA -0.028 4.311 4.340 -0.000 0.000 0.207 1218 Q C 1.141 177.158 176.000 0.029 0.000 0.956 1218 Q CA 1.296 57.136 55.803 0.062 0.000 0.917 1218 Q CB 0.148 28.905 28.738 0.032 0.000 0.997 1218 Q HN 0.098 nan 8.270 nan 0.000 0.497 1219 T N 0.024 114.592 114.554 0.023 0.000 2.942 1219 T HA 0.038 4.388 4.350 -0.000 0.000 0.265 1219 T C 0.716 175.253 174.700 -0.270 0.000 1.062 1219 T CA 0.923 62.941 62.100 -0.138 0.000 1.139 1219 T CB -0.072 68.674 68.868 -0.204 0.000 0.883 1219 T HN 0.311 nan 8.240 nan 0.000 0.468 1220 F N 0.437 120.398 119.950 0.018 0.000 2.602 1220 F HA 0.363 4.890 4.527 -0.000 0.000 0.284 1220 F C 1.340 177.160 175.800 0.033 0.000 1.111 1220 F CA -0.247 57.769 58.000 0.026 0.000 1.405 1220 F CB 0.138 39.157 39.000 0.031 0.000 1.121 1220 F HN -0.061 nan 8.300 nan 0.000 0.603 1221 K N -0.307 120.224 120.400 0.219 0.000 5.020 1221 K HA -0.284 4.036 4.320 -0.000 0.000 0.184 1221 K C -0.592 176.095 176.600 0.145 0.000 1.374 1221 K CA 1.166 57.539 56.287 0.143 0.000 0.615 1221 K CB -1.305 31.253 32.500 0.096 0.000 0.650 1221 K HN 0.049 nan 8.250 nan 0.000 0.619 1222 N N 2.580 121.350 118.700 0.116 0.000 2.767 1222 N HA 0.184 4.924 4.740 -0.000 0.000 0.238 1222 N C -1.072 174.499 175.510 0.101 0.000 1.083 1222 N CA 0.559 53.671 53.050 0.104 0.000 0.964 1222 N CB 0.541 39.075 38.487 0.078 0.000 1.252 1222 N HN 0.554 nan 8.380 nan 0.000 0.512 1223 D N 1.050 121.517 120.400 0.112 0.000 4.260 1223 D HA -0.060 4.580 4.640 -0.000 0.000 0.169 1223 D C -0.933 175.412 176.300 0.076 0.000 0.618 1223 D CA -0.351 53.706 54.000 0.094 0.000 0.656 1223 D CB -1.059 39.802 40.800 0.102 0.000 1.691 1223 D HN 0.239 nan 8.370 nan 0.000 0.197 1224 L N 1.031 122.302 121.223 0.081 0.000 2.811 1224 L HA 0.514 4.854 4.340 -0.000 0.000 0.251 1224 L C -2.060 174.859 176.870 0.081 0.000 0.971 1224 L CA -0.785 54.064 54.840 0.017 0.000 0.990 1224 L CB 0.871 42.834 42.059 -0.160 0.000 1.320 1224 L HN -0.006 nan 8.230 nan 0.000 0.473 1225 F N 5.319 125.247 119.950 -0.038 0.000 2.495 1225 F HA 0.696 5.223 4.527 -0.000 0.000 0.365 1225 F C -0.431 175.336 175.800 -0.054 0.000 1.090 1225 F CA 0.154 58.131 58.000 -0.038 0.000 1.235 1225 F CB 0.822 39.790 39.000 -0.053 0.000 1.119 1225 F HN 0.266 nan 8.300 nan 0.000 0.562 1226 V N 6.989 126.464 119.914 -0.732 0.000 3.007 1226 V HA 0.588 4.707 4.120 -0.000 0.000 0.311 1226 V C -0.170 175.454 176.094 -0.782 0.000 1.120 1226 V CA -0.937 61.030 62.300 -0.554 0.000 0.980 1226 V CB 2.013 33.767 31.823 -0.116 0.000 1.033 1226 V HN 0.718 nan 8.190 nan 0.000 0.429 1227 I N 1.226 121.482 120.570 -0.524 0.000 3.279 1227 I HA 0.752 4.922 4.170 -0.000 0.000 0.315 1227 I C -1.654 174.382 176.117 -0.134 0.000 1.187 1227 I CA -0.624 60.284 61.300 -0.653 0.000 0.953 1227 I CB 2.708 40.264 38.000 -0.740 0.000 1.279 1227 I HN 0.930 nan 8.210 nan 0.000 0.465 1228 W N 0.756 121.928 121.300 -0.213 0.000 3.298 1228 W HA 0.620 5.280 4.660 -0.000 0.000 0.302 1228 W C -0.646 175.821 176.519 -0.087 0.000 1.255 1228 W CA -0.794 56.471 57.345 -0.133 0.000 1.196 1228 W CB -0.170 29.224 29.460 -0.109 0.000 1.364 1228 W HN 0.614 nan 8.180 nan 0.000 0.566 1229 S N 0.503 116.316 115.700 0.189 0.000 2.562 1229 S HA 0.551 5.021 4.470 -0.000 0.000 0.256 1229 S C -0.328 174.392 174.600 0.200 0.000 1.248 1229 S CA -0.276 57.993 58.200 0.115 0.000 0.988 1229 S CB 0.631 63.873 63.200 0.070 0.000 1.035 1229 S HN 0.631 nan 8.310 nan 0.000 0.548 1230 E N -0.217 120.056 120.200 0.122 0.000 2.266 1230 E HA 0.263 4.613 4.350 -0.000 0.000 0.268 1230 E C -0.079 176.566 176.600 0.074 0.000 0.879 1230 E CA -0.678 55.795 56.400 0.121 0.000 0.762 1230 E CB 1.485 31.240 29.700 0.091 0.000 1.199 1230 E HN 0.565 nan 8.360 nan 0.000 0.422 1231 D N 1.509 121.946 120.400 0.062 0.000 2.254 1231 D HA -0.239 4.401 4.640 -0.000 0.000 0.201 1231 D C 1.171 177.486 176.300 0.025 0.000 0.998 1231 D CA 1.074 55.092 54.000 0.030 0.000 0.885 1231 D CB 0.200 41.012 40.800 0.019 0.000 0.915 1231 D HN 0.380 nan 8.370 nan 0.000 0.460 1232 N N 1.182 119.901 118.700 0.031 0.000 2.080 1232 N HA -0.102 4.638 4.740 -0.000 0.000 0.189 1232 N C 0.384 175.907 175.510 0.022 0.000 1.036 1232 N CA 0.702 53.766 53.050 0.024 0.000 0.846 1232 N CB 0.014 38.517 38.487 0.026 0.000 1.015 1232 N HN 0.113 nan 8.380 nan 0.000 0.423 1233 D N 0.470 120.886 120.400 0.027 0.000 2.303 1233 D HA -0.153 4.487 4.640 -0.000 0.000 0.233 1233 D C 1.141 177.451 176.300 0.018 0.000 1.313 1233 D CA 0.576 54.590 54.000 0.023 0.000 0.883 1233 D CB 0.375 41.191 40.800 0.028 0.000 1.220 1233 D HN 0.537 nan 8.370 nan 0.000 0.490 1234 E N -0.531 119.678 120.200 0.016 0.000 2.472 1234 E HA 0.040 4.390 4.350 -0.000 0.000 0.196 1234 E C -0.100 176.508 176.600 0.012 0.000 1.033 1234 E CA 0.294 56.701 56.400 0.012 0.000 0.886 1234 E CB 0.413 30.120 29.700 0.011 0.000 0.944 1234 E HN 0.136 nan 8.360 nan 0.000 0.492 1235 K N 1.645 122.054 120.400 0.014 0.000 2.640 1235 K HA 0.325 4.645 4.320 -0.000 0.000 0.245 1235 K C -1.052 175.557 176.600 0.015 0.000 0.962 1235 K CA -0.460 55.835 56.287 0.013 0.000 0.896 1235 K CB 1.868 34.375 32.500 0.012 0.000 1.147 1235 K HN 0.077 nan 8.250 nan 0.000 0.445 1236 L N 5.042 126.274 121.223 0.013 0.000 2.410 1236 L HA 0.441 4.780 4.340 -0.000 0.000 0.273 1236 L C 0.085 176.963 176.870 0.013 0.000 1.152 1236 L CA 0.062 54.912 54.840 0.017 0.000 0.855 1236 L CB 0.097 42.159 42.059 0.004 0.000 1.129 1236 L HN 0.447 nan 8.230 nan 0.000 0.463 1237 I N 3.859 124.446 120.570 0.028 0.000 2.918 1237 I HA 0.429 4.599 4.170 -0.000 0.000 0.301 1237 I C -0.903 175.241 176.117 0.045 0.000 1.312 1237 I CA -0.477 60.831 61.300 0.014 0.000 1.007 1237 I CB 2.915 40.908 38.000 -0.011 0.000 1.281 1237 I HN 0.420 nan 8.210 nan 0.000 0.440 1238 I N 4.008 124.588 120.570 0.016 0.000 2.468 1238 I HA 0.440 4.609 4.170 -0.000 0.000 0.284 1238 I C -0.424 175.678 176.117 -0.024 0.000 1.038 1238 I CA -0.437 60.886 61.300 0.037 0.000 1.083 1238 I CB 1.569 39.580 38.000 0.018 0.000 1.223 1238 I HN 0.465 nan 8.210 nan 0.000 0.443 1239 R N 4.493 124.957 120.500 -0.058 0.000 2.674 1239 R HA 0.913 5.253 4.340 -0.000 0.000 0.266 1239 R C -1.009 175.212 176.300 -0.131 0.000 1.016 1239 R CA -0.569 55.469 56.100 -0.104 0.000 1.062 1239 R CB 1.917 32.138 30.300 -0.132 0.000 1.142 1239 R HN 0.798 nan 8.270 nan 0.000 0.517 1240 C N -0.955 118.280 119.300 -0.108 0.000 3.136 1240 C HA 0.425 4.885 4.460 -0.000 0.000 0.376 1240 C C -1.085 173.889 174.990 -0.026 0.000 1.114 1240 C CA -1.401 57.551 59.018 -0.109 0.000 1.110 1240 C CB 0.898 28.558 27.740 -0.135 0.000 1.452 1240 C HN 0.918 nan 8.230 nan 0.000 0.542 1241 R N 1.202 121.724 120.500 0.035 0.000 2.888 1241 R HA 0.873 5.213 4.340 -0.000 0.000 0.266 1241 R C -0.290 176.044 176.300 0.056 0.000 1.020 1241 R CA -0.697 55.445 56.100 0.070 0.000 0.963 1241 R CB 1.785 32.146 30.300 0.101 0.000 1.197 1241 R HN 0.626 nan 8.270 nan 0.000 0.481 1242 V N 0.760 120.708 119.914 0.057 0.000 3.697 1242 V HA 0.347 4.467 4.120 -0.000 0.000 0.285 1242 V C 0.064 176.193 176.094 0.058 0.000 1.041 1242 V CA -0.294 62.030 62.300 0.040 0.000 1.045 1242 V CB 1.150 33.008 31.823 0.058 0.000 1.227 1242 V HN 0.445 nan 8.190 nan 0.000 0.448 1243 V N 0.958 120.903 119.914 0.052 0.000 2.924 1243 V HA 0.622 4.742 4.120 -0.000 0.000 0.300 1243 V C -0.447 175.672 176.094 0.041 0.000 1.227 1243 V CA -0.753 61.574 62.300 0.044 0.000 0.954 1243 V CB 2.088 33.940 31.823 0.048 0.000 1.055 1243 V HN 0.916 nan 8.190 nan 0.000 0.429 1244 R N 1.540 122.058 120.500 0.030 0.000 2.762 1244 R HA 0.609 4.949 4.340 -0.000 0.000 0.271 1244 R C -2.609 173.702 176.300 0.018 0.000 1.038 1244 R CA -1.585 54.532 56.100 0.029 0.000 0.906 1244 R CB 1.015 31.336 30.300 0.036 0.000 1.259 1244 R HN 0.586 nan 8.270 nan 0.000 0.457 1255 E N 0.345 120.591 120.200 0.077 0.000 2.484 1255 E HA -0.159 4.191 4.350 -0.000 0.000 0.181 1255 E C 0.435 177.068 176.600 0.055 0.000 1.458 1255 E CA 0.867 57.303 56.400 0.061 0.000 0.667 1255 E CB -0.760 28.942 29.700 0.004 0.000 1.125 1255 E HN 0.833 nan 8.360 nan 0.000 0.384 1256 E N 0.290 120.528 120.200 0.065 0.000 2.318 1256 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 1256 E C 0.979 177.467 176.600 -0.187 0.000 0.998 1256 E CA 0.306 56.719 56.400 0.022 0.000 0.859 1256 E CB 0.210 30.048 29.700 0.230 0.000 0.812 1256 E HN 0.388 nan 8.360 nan 0.000 0.492 1257 D N 0.517 120.694 120.400 -0.372 0.000 2.123 1257 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 1257 D C 1.881 178.064 176.300 -0.194 0.000 0.976 1257 D CA 0.872 54.585 54.000 -0.478 0.000 0.831 1257 D CB -0.139 40.313 40.800 -0.579 0.000 0.974 1257 D HN 0.206 nan 8.370 nan 0.000 0.469 1258 H N 0.611 119.582 119.070 -0.166 0.000 2.389 1258 H HA 0.020 4.576 4.556 -0.000 0.000 0.299 1258 H C 1.930 177.218 175.328 -0.067 0.000 1.081 1258 H CA 0.893 56.885 56.048 -0.093 0.000 1.345 1258 H CB 0.094 29.821 29.762 -0.058 0.000 1.393 1258 H HN 0.131 nan 8.280 nan 0.000 0.520 1259 M N -0.191 119.473 119.600 0.107 0.000 2.299 1259 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 1259 M C 1.144 177.457 176.300 0.022 0.000 1.095 1259 M CA 0.462 55.805 55.300 0.072 0.000 1.165 1259 M CB 0.166 32.799 32.600 0.055 0.000 1.349 1259 M HN 0.149 nan 8.290 nan 0.000 0.446 1260 L N 1.324 122.531 121.223 -0.026 0.000 2.873 1260 L HA 0.055 4.395 4.340 -0.000 0.000 0.252 1260 L C 0.919 177.756 176.870 -0.055 0.000 1.266 1260 L CA 1.151 55.966 54.840 -0.041 0.000 1.111 1260 L CB -1.088 40.943 42.059 -0.047 0.000 1.440 1260 L HN 0.266 nan 8.230 nan 0.000 0.427 1261 K N -1.628 118.748 120.400 -0.041 0.000 2.538 1261 K HA 0.156 4.476 4.320 -0.000 0.000 0.215 1261 K C 1.585 178.179 176.600 -0.010 0.000 1.345 1261 K CA 0.010 56.269 56.287 -0.046 0.000 0.985 1261 K CB 0.430 32.875 32.500 -0.092 0.000 1.116 1261 K HN 0.227 nan 8.250 nan 0.000 0.582 1262 K N 0.529 120.939 120.400 0.016 0.000 2.228 1262 K HA 0.117 4.437 4.320 -0.000 0.000 0.202 1262 K C 1.458 178.102 176.600 0.073 0.000 1.051 1262 K CA 0.830 57.144 56.287 0.046 0.000 0.960 1262 K CB 0.260 32.800 32.500 0.067 0.000 0.743 1262 K HN 0.149 nan 8.250 nan 0.000 0.458 1263 I N 1.106 121.716 120.570 0.067 0.000 3.428 1263 I HA -0.116 4.054 4.170 -0.000 0.000 0.286 1263 I C 2.197 178.359 176.117 0.075 0.000 1.287 1263 I CA 0.519 61.879 61.300 0.100 0.000 1.396 1263 I CB -0.035 37.955 38.000 -0.018 0.000 1.062 1263 I HN 0.152 nan 8.210 nan 0.000 0.471 1264 E N 1.848 122.071 120.200 0.039 0.000 2.072 1264 E HA -0.178 4.172 4.350 -0.000 0.000 0.190 1264 E C 1.758 178.384 176.600 0.044 0.000 0.982 1264 E CA 1.557 57.974 56.400 0.028 0.000 0.803 1264 E CB -0.041 29.662 29.700 0.006 0.000 0.755 1264 E HN 0.346 nan 8.360 nan 0.000 0.453 1265 N N -0.256 118.472 118.700 0.048 0.000 2.197 1265 N HA -0.052 4.688 4.740 -0.000 0.000 0.184 1265 N C 1.700 177.248 175.510 0.063 0.000 1.030 1265 N CA 1.794 54.871 53.050 0.045 0.000 0.851 1265 N CB -0.717 37.789 38.487 0.032 0.000 1.003 1265 N HN 0.206 nan 8.380 nan 0.000 0.430 1266 T N 1.854 116.461 114.554 0.087 0.000 2.836 1266 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 1266 T C 1.847 176.610 174.700 0.104 0.000 1.080 1266 T CA 1.042 63.196 62.100 0.091 0.000 1.128 1266 T CB -0.059 68.890 68.868 0.136 0.000 0.839 1266 T HN 0.238 nan 8.240 nan 0.000 0.507 1267 M N -0.373 119.314 119.600 0.146 0.000 2.435 1267 M HA 0.202 4.682 4.480 -0.000 0.000 0.265 1267 M C 1.792 178.130 176.300 0.062 0.000 1.104 1267 M CA 0.985 56.369 55.300 0.140 0.000 1.140 1267 M CB -0.051 32.639 32.600 0.150 0.000 1.372 1267 M HN 0.240 nan 8.290 nan 0.000 0.456 1268 L N -0.822 120.429 121.223 0.046 0.000 2.477 1268 L HA 0.004 4.344 4.340 -0.000 0.000 0.220 1268 L C 0.861 177.741 176.870 0.017 0.000 1.106 1268 L CA 0.691 55.545 54.840 0.023 0.000 0.851 1268 L CB 0.174 42.245 42.059 0.020 0.000 0.994 1268 L HN 0.269 nan 8.230 nan 0.000 0.462 1269 E N -1.333 118.881 120.200 0.024 0.000 2.801 1269 E HA 0.138 4.488 4.350 -0.000 0.000 0.212 1269 E C 0.100 176.716 176.600 0.026 0.000 0.963 1269 E CA -0.077 56.338 56.400 0.026 0.000 1.247 1269 E CB 0.628 30.343 29.700 0.025 0.000 1.076 1269 E HN 0.172 nan 8.360 nan 0.000 0.504 1270 N N 0.664 119.372 118.700 0.014 0.000 2.184 1270 N HA 0.269 5.009 4.740 -0.000 0.000 0.234 1270 N C -0.775 174.722 175.510 -0.022 0.000 1.282 1270 N CA 0.174 53.223 53.050 -0.002 0.000 0.877 1270 N CB 1.603 40.078 38.487 -0.021 0.000 1.184 1270 N HN 0.104 nan 8.380 nan 0.000 0.510 1271 I N 1.096 121.657 120.570 -0.015 0.000 2.447 1271 I HA 0.237 4.407 4.170 -0.000 0.000 0.287 1271 I C -0.486 175.601 176.117 -0.051 0.000 1.023 1271 I CA -0.122 61.157 61.300 -0.035 0.000 1.083 1271 I CB 1.874 39.856 38.000 -0.029 0.000 1.245 1271 I HN -0.202 nan 8.210 nan 0.000 0.434 1272 T N 6.472 120.995 114.554 -0.052 0.000 2.945 1272 T HA 0.461 4.811 4.350 -0.000 0.000 0.286 1272 T C 0.434 175.072 174.700 -0.103 0.000 1.025 1272 T CA -0.457 61.576 62.100 -0.111 0.000 1.039 1272 T CB 2.290 71.152 68.868 -0.010 0.000 1.068 1272 T HN 0.289 nan 8.240 nan 0.000 0.497 1273 L N 0.260 121.402 121.223 -0.135 0.000 2.675 1273 L HA 0.466 4.806 4.340 -0.000 0.000 0.178 1273 L C 0.806 177.629 176.870 -0.079 0.000 1.135 1273 L CA 0.840 55.619 54.840 -0.103 0.000 0.855 1273 L CB -0.141 41.850 42.059 -0.113 0.000 1.235 1273 L HN 0.395 nan 8.230 nan 0.000 0.499 1274 R N -0.956 119.494 120.500 -0.083 0.000 2.686 1274 R HA 0.610 4.950 4.340 -0.000 0.000 0.283 1274 R C -0.559 175.731 176.300 -0.016 0.000 0.978 1274 R CA -0.130 55.943 56.100 -0.045 0.000 0.897 1274 R CB 2.044 32.316 30.300 -0.046 0.000 1.192 1274 R HN 0.265 nan 8.270 nan 0.000 0.457 1275 G N 0.338 109.150 108.800 0.020 0.000 2.566 1275 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.599 1275 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.599 1275 G C -1.435 173.527 174.900 0.103 0.000 1.292 1275 G CA -0.835 44.304 45.100 0.064 0.000 0.922 1275 G HN 0.431 nan 8.290 nan 0.000 0.514 1276 V N 0.781 120.754 119.914 0.098 0.000 2.715 1276 V HA 0.614 4.734 4.120 -0.000 0.000 0.310 1276 V C 0.854 176.943 176.094 -0.008 0.000 1.054 1276 V CA -0.093 62.240 62.300 0.055 0.000 0.928 1276 V CB 1.563 33.395 31.823 0.017 0.000 1.007 1276 V HN 1.278 nan 8.190 nan 0.000 0.437 1277 E N 3.760 123.894 120.200 -0.110 0.000 2.485 1277 E HA -0.060 4.290 4.350 -0.000 0.000 0.266 1277 E C 0.514 176.959 176.600 -0.258 0.000 1.137 1277 E CA 0.416 56.609 56.400 -0.345 0.000 1.010 1277 E CB 0.055 29.617 29.700 -0.231 0.000 0.986 1277 E HN 0.661 nan 8.360 nan 0.000 0.460 1278 N N -0.381 118.132 118.700 -0.312 0.000 2.289 1278 N HA -0.269 4.471 4.740 -0.000 0.000 0.225 1278 N C 0.121 175.566 175.510 -0.108 0.000 0.871 1278 N CA 2.061 55.011 53.050 -0.168 0.000 2.759 1278 N CB -1.384 37.040 38.487 -0.105 0.000 0.818 1278 N HN 0.616 nan 8.380 nan 0.000 0.471 1279 I N 3.170 123.690 120.570 -0.083 0.000 2.577 1279 I HA -0.038 4.132 4.170 -0.000 0.000 0.299 1279 I C 1.357 177.486 176.117 0.021 0.000 1.157 1279 I CA 0.632 61.918 61.300 -0.023 0.000 1.418 1279 I CB -0.040 37.956 38.000 -0.006 0.000 1.467 1279 I HN 0.191 nan 8.210 nan 0.000 0.624 1280 E N 6.003 126.213 120.200 0.017 0.000 3.788 1280 E HA 0.292 4.642 4.350 -0.000 0.000 0.520 1280 E C 0.178 176.793 176.600 0.025 0.000 0.441 1280 E CA -0.879 55.546 56.400 0.042 0.000 3.107 1280 E CB 0.329 30.045 29.700 0.026 0.000 2.281 1280 E HN 0.452 nan 8.360 nan 0.000 0.492 1281 R N 0.249 120.744 120.500 -0.007 0.000 2.466 1281 R HA -0.074 4.266 4.340 -0.000 0.000 0.272 1281 R C -0.899 175.403 176.300 0.004 0.000 0.924 1281 R CA 0.170 56.244 56.100 -0.043 0.000 1.107 1281 R CB -0.343 29.908 30.300 -0.082 0.000 0.853 1281 R HN 0.090 nan 8.270 nan 0.000 0.430 1282 V N 3.701 123.646 119.914 0.052 0.000 2.567 1282 V HA 0.266 4.386 4.120 -0.000 0.000 0.298 1282 V C -0.116 176.069 176.094 0.151 0.000 1.047 1282 V CA -0.837 61.513 62.300 0.084 0.000 0.880 1282 V CB 1.952 33.825 31.823 0.084 0.000 1.009 1282 V HN 0.528 nan 8.190 nan 0.000 0.429 1283 V N 4.484 124.456 119.914 0.097 0.000 3.093 1283 V HA 0.599 4.719 4.120 -0.000 0.000 0.320 1283 V C 0.072 176.211 176.094 0.074 0.000 1.093 1283 V CA -0.805 61.569 62.300 0.123 0.000 1.016 1283 V CB 2.142 34.015 31.823 0.082 0.000 1.096 1283 V HN 0.769 nan 8.190 nan 0.000 0.452 1284 M N 2.585 122.246 119.600 0.102 0.000 2.537 1284 M HA 0.656 5.135 4.480 -0.000 0.000 0.324 1284 M C -1.017 175.355 176.300 0.120 0.000 1.187 1284 M CA -0.447 54.938 55.300 0.142 0.000 0.993 1284 M CB 1.898 34.637 32.600 0.232 0.000 1.666 1284 M HN 0.417 nan 8.290 nan 0.000 0.461 1285 M N 1.564 121.191 119.600 0.045 0.000 2.365 1285 M HA 0.292 4.772 4.480 -0.000 0.000 0.287 1285 M C -1.177 174.834 176.300 -0.481 0.000 1.154 1285 M CA -0.503 54.645 55.300 -0.252 0.000 0.941 1285 M CB 2.363 34.653 32.600 -0.516 0.000 1.704 1285 M HN 0.551 nan 8.290 nan 0.000 0.479 1286 K N 2.676 122.666 120.400 -0.684 0.000 2.265 1286 K HA 0.355 4.675 4.320 -0.000 0.000 0.242 1286 K C -1.070 175.382 176.600 -0.248 0.000 1.137 1286 K CA -0.046 55.734 56.287 -0.845 0.000 1.082 1286 K CB 0.234 32.100 32.500 -1.057 0.000 1.731 1286 K HN 0.564 nan 8.250 nan 0.000 0.392 1287 Y N 1.125 121.313 120.300 -0.187 0.000 2.397 1287 Y HA -0.019 4.531 4.550 -0.000 0.000 0.335 1287 Y C 0.799 176.671 175.900 -0.046 0.000 1.213 1287 Y CA -0.881 57.183 58.100 -0.060 0.000 1.391 1287 Y CB 0.763 39.254 38.460 0.051 0.000 1.293 1287 Y HN 0.362 nan 8.280 nan 0.000 0.557 1288 D N 3.432 123.901 120.400 0.115 0.000 2.264 1288 D HA 0.193 4.833 4.640 -0.000 0.000 0.250 1288 D C -0.341 175.994 176.300 0.059 0.000 1.113 1288 D CA 0.023 54.053 54.000 0.051 0.000 0.871 1288 D CB 1.355 42.164 40.800 0.015 0.000 1.167 1288 D HN 0.414 nan 8.370 nan 0.000 0.447 1289 R N 2.355 122.891 120.500 0.061 0.000 2.531 1289 R HA 0.139 4.479 4.340 -0.000 0.000 0.293 1289 R C -0.815 175.521 176.300 0.061 0.000 1.124 1289 R CA -0.661 55.476 56.100 0.061 0.000 0.945 1289 R CB 1.096 31.439 30.300 0.072 0.000 1.195 1289 R HN 0.250 nan 8.270 nan 0.000 0.433 1290 K N 2.431 122.883 120.400 0.087 0.000 2.326 1290 K HA 0.404 4.724 4.320 -0.000 0.000 0.275 1290 K C -0.673 176.005 176.600 0.130 0.000 1.018 1290 K CA -0.308 56.065 56.287 0.143 0.000 0.962 1290 K CB 1.693 34.329 32.500 0.226 0.000 0.953 1290 K HN 0.212 nan 8.250 nan 0.000 0.475 1291 V N 3.622 123.540 119.914 0.005 0.000 3.225 1291 V HA 0.204 4.324 4.120 -0.000 0.000 0.293 1291 V C -2.618 173.196 176.094 -0.466 0.000 1.405 1291 V CA -2.135 60.016 62.300 -0.248 0.000 1.038 1291 V CB 2.588 34.333 31.823 -0.130 0.000 1.123 1291 V HN 0.586 nan 8.190 nan 0.000 0.447 1292 P HA 0.116 nan 4.420 nan 0.000 0.262 1292 P C -0.581 176.580 177.300 -0.231 0.000 1.199 1292 P CA 0.717 63.519 63.100 -0.495 0.000 0.763 1292 P CB 0.461 31.918 31.700 -0.404 0.000 0.790 1293 S N 5.337 120.946 115.700 -0.152 0.000 2.603 1293 S HA 0.236 4.706 4.470 -0.000 0.000 0.268 1293 S C -0.958 173.602 174.600 -0.066 0.000 1.317 1293 S CA -1.625 56.529 58.200 -0.076 0.000 1.012 1293 S CB -0.052 63.129 63.200 -0.033 0.000 0.926 1293 S HN 0.324 nan 8.310 nan 0.000 0.539 1294 P HA -0.107 nan 4.420 nan 0.000 0.219 1294 P C 1.279 178.563 177.300 -0.027 0.000 1.146 1294 P CA 1.395 64.473 63.100 -0.037 0.000 0.808 1294 P CB -0.362 31.323 31.700 -0.025 0.000 0.779 1295 T N -3.321 111.222 114.554 -0.017 0.000 3.088 1295 T HA 0.256 4.606 4.350 -0.000 0.000 0.259 1295 T C 1.472 176.173 174.700 0.002 0.000 1.122 1295 T CA 1.500 63.600 62.100 -0.001 0.000 1.095 1295 T CB -0.573 68.302 68.868 0.011 0.000 0.930 1295 T HN 0.287 nan 8.240 nan 0.000 0.508 1296 G N 0.649 109.439 108.800 -0.016 0.000 2.391 1296 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.204 1296 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.204 1296 G C -0.120 174.796 174.900 0.026 0.000 1.012 1296 G CA -0.087 45.008 45.100 -0.008 0.000 0.651 1296 G HN 0.660 nan 8.290 nan 0.000 0.494 1297 E N -0.063 120.164 120.200 0.045 0.000 2.422 1297 E HA 0.456 4.806 4.350 -0.000 0.000 0.260 1297 E C -0.639 176.016 176.600 0.092 0.000 1.108 1297 E CA -0.218 56.240 56.400 0.096 0.000 0.943 1297 E CB 0.661 30.405 29.700 0.074 0.000 0.961 1297 E HN 0.321 nan 8.360 nan 0.000 0.443 1298 Y N 0.515 120.823 120.300 0.015 0.000 2.320 1298 Y HA 0.371 4.921 4.550 -0.000 0.000 0.334 1298 Y C -0.250 175.656 175.900 0.012 0.000 1.055 1298 Y CA -0.363 57.744 58.100 0.012 0.000 1.143 1298 Y CB 1.080 39.550 38.460 0.016 0.000 1.193 1298 Y HN 0.174 nan 8.280 nan 0.000 0.477 1299 V N 3.321 123.286 119.914 0.084 0.000 3.114 1299 V HA 0.305 4.425 4.120 -0.000 0.000 0.308 1299 V C -0.909 175.217 176.094 0.053 0.000 1.168 1299 V CA -1.980 60.360 62.300 0.067 0.000 1.015 1299 V CB 2.331 34.175 31.823 0.034 0.000 1.050 1299 V HN 0.520 nan 8.190 nan 0.000 0.433 1300 K N 2.332 122.762 120.400 0.050 0.000 2.315 1300 K HA 0.113 4.433 4.320 -0.000 0.000 0.281 1300 K C 0.061 176.680 176.600 0.031 0.000 1.086 1300 K CA 0.425 56.737 56.287 0.041 0.000 1.042 1300 K CB 0.262 32.782 32.500 0.033 0.000 0.949 1300 K HN 0.632 nan 8.250 nan 0.000 0.450 1301 E N 5.207 125.425 120.200 0.030 0.000 3.406 1301 E HA 0.123 4.473 4.350 -0.000 0.000 0.210 1301 E C -2.220 174.403 176.600 0.039 0.000 1.167 1301 E CA -2.174 54.244 56.400 0.029 0.000 1.132 1301 E CB 0.461 30.171 29.700 0.017 0.000 1.309 1301 E HN 0.345 nan 8.360 nan 0.000 0.424 1302 P HA -0.144 nan 4.420 nan 0.000 0.264 1302 P C -0.861 176.461 177.300 0.036 0.000 1.173 1302 P CA 0.759 63.869 63.100 0.017 0.000 0.761 1302 P CB 0.437 32.116 31.700 -0.035 0.000 0.794 1303 E N 1.818 122.052 120.200 0.056 0.000 2.256 1303 E HA 0.386 4.735 4.350 -0.000 0.000 0.268 1303 E C -1.199 175.460 176.600 0.098 0.000 0.877 1303 E CA -1.008 55.468 56.400 0.127 0.000 0.757 1303 E CB 0.731 30.536 29.700 0.176 0.000 1.183 1303 E HN 0.247 nan 8.360 nan 0.000 0.418 1304 W N 2.217 123.556 121.300 0.064 0.000 2.150 1304 W HA 0.431 5.091 4.660 -0.000 0.000 0.341 1304 W C -0.277 176.232 176.519 -0.015 0.000 1.276 1304 W CA 0.137 57.483 57.345 0.003 0.000 1.238 1304 W CB 1.007 30.465 29.460 -0.004 0.000 1.128 1304 W HN 0.328 nan 8.180 nan 0.000 0.581 1305 V N 2.790 122.760 119.914 0.093 0.000 3.178 1305 V HA 0.392 4.511 4.120 -0.000 0.000 0.302 1305 V C -0.602 175.421 176.094 -0.119 0.000 1.262 1305 V CA -1.375 60.892 62.300 -0.055 0.000 1.030 1305 V CB 1.910 33.598 31.823 -0.226 0.000 1.074 1305 V HN 0.265 nan 8.190 nan 0.000 0.438 1306 L N 1.906 123.060 121.223 -0.115 0.000 2.317 1306 L HA 0.636 4.976 4.340 -0.000 0.000 0.281 1306 L C -0.216 176.587 176.870 -0.111 0.000 1.024 1306 L CA -0.426 54.366 54.840 -0.081 0.000 0.810 1306 L CB 1.617 43.656 42.059 -0.032 0.000 1.240 1306 L HN 0.641 nan 8.230 nan 0.000 0.427 1307 E N 1.362 121.520 120.200 -0.070 0.000 2.171 1307 E HA 0.330 4.679 4.350 -0.000 0.000 0.271 1307 E C -0.630 175.961 176.600 -0.014 0.000 0.916 1307 E CA -0.403 55.972 56.400 -0.042 0.000 0.774 1307 E CB 2.727 32.416 29.700 -0.018 0.000 1.128 1307 E HN 0.489 nan 8.360 nan 0.000 0.403 1308 T N 0.593 115.138 114.554 -0.015 0.000 2.924 1308 T HA 0.153 4.503 4.350 -0.000 0.000 0.301 1308 T C -0.250 174.446 174.700 -0.008 0.000 1.120 1308 T CA -0.155 61.940 62.100 -0.008 0.000 0.940 1308 T CB 0.483 69.343 68.868 -0.013 0.000 1.591 1308 T HN 0.400 nan 8.240 nan 0.000 0.578 1309 D N -0.433 119.962 120.400 -0.010 0.000 3.120 1309 D HA 0.327 4.967 4.640 -0.000 0.000 0.331 1309 D C -0.298 175.993 176.300 -0.016 0.000 1.595 1309 D CA -0.009 53.984 54.000 -0.012 0.000 0.771 1309 D CB 0.326 41.117 40.800 -0.013 0.000 1.274 1309 D HN 0.764 nan 8.370 nan 0.000 0.503 1310 G N -0.660 108.128 108.800 -0.020 0.000 2.466 1310 G HA2 0.446 4.406 3.960 -0.000 0.000 0.291 1310 G HA3 0.446 4.406 3.960 -0.000 0.000 0.291 1310 G C -1.736 173.147 174.900 -0.030 0.000 1.460 1310 G CA -0.397 44.687 45.100 -0.027 0.000 0.791 1310 G HN -0.060 nan 8.290 nan 0.000 0.505 1311 V N 1.675 121.568 119.914 -0.034 0.000 2.462 1311 V HA 0.561 4.681 4.120 -0.000 0.000 0.288 1311 V C -0.667 175.409 176.094 -0.031 0.000 1.020 1311 V CA -0.951 61.330 62.300 -0.032 0.000 0.857 1311 V CB 1.640 33.443 31.823 -0.034 0.000 1.013 1311 V HN 0.736 nan 8.190 nan 0.000 0.431 1312 N N 4.119 122.805 118.700 -0.024 0.000 2.725 1312 N HA 0.174 4.914 4.740 -0.000 0.000 0.248 1312 N C 0.401 175.907 175.510 -0.006 0.000 1.402 1312 N CA -0.354 52.683 53.050 -0.021 0.000 0.766 1312 N CB 1.588 40.056 38.487 -0.031 0.000 1.223 1312 N HN 0.548 nan 8.380 nan 0.000 0.515 1313 L N 2.694 123.918 121.223 0.001 0.000 1.955 1313 L HA -0.112 4.227 4.340 -0.000 0.000 0.213 1313 L C 2.229 179.113 176.870 0.022 0.000 1.072 1313 L CA 2.323 57.174 54.840 0.018 0.000 0.755 1313 L CB -1.082 40.994 42.059 0.028 0.000 0.888 1313 L HN 0.574 nan 8.230 nan 0.000 0.432 1314 S N -1.719 113.992 115.700 0.018 0.000 2.535 1314 S HA -0.235 4.235 4.470 -0.000 0.000 0.259 1314 S C 1.381 175.992 174.600 0.017 0.000 0.977 1314 S CA 1.737 59.948 58.200 0.019 0.000 0.962 1314 S CB -0.593 62.614 63.200 0.012 0.000 0.742 1314 S HN 0.754 nan 8.310 nan 0.000 0.530 1315 E N -0.224 119.985 120.200 0.015 0.000 2.713 1315 E HA 0.141 4.491 4.350 -0.000 0.000 0.201 1315 E C 1.686 178.297 176.600 0.019 0.000 0.935 1315 E CA 0.474 56.882 56.400 0.014 0.000 1.273 1315 E CB 0.011 29.715 29.700 0.006 0.000 1.221 1315 E HN 0.293 nan 8.360 nan 0.000 0.547 1316 V N 2.407 122.332 119.914 0.017 0.000 2.660 1316 V HA -0.299 3.821 4.120 -0.000 0.000 0.257 1316 V C 2.323 178.436 176.094 0.032 0.000 1.088 1316 V CA 1.762 64.074 62.300 0.021 0.000 1.106 1316 V CB -0.535 31.299 31.823 0.019 0.000 0.686 1316 V HN 0.323 nan 8.190 nan 0.000 0.481 1317 M N 1.172 120.795 119.600 0.037 0.000 2.123 1317 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 1317 M C 2.279 178.605 176.300 0.045 0.000 1.069 1317 M CA 2.255 57.584 55.300 0.049 0.000 1.133 1317 M CB -0.230 32.401 32.600 0.052 0.000 1.356 1317 M HN 0.553 nan 8.290 nan 0.000 0.415 1318 T N -1.374 113.201 114.554 0.035 0.000 3.160 1318 T HA 0.128 4.478 4.350 -0.000 0.000 0.257 1318 T C 0.570 175.287 174.700 0.028 0.000 1.147 1318 T CA -0.180 61.939 62.100 0.031 0.000 1.064 1318 T CB -0.966 67.917 68.868 0.025 0.000 0.949 1318 T HN 0.152 nan 8.240 nan 0.000 0.526 1319 V N 4.501 124.432 119.914 0.027 0.000 2.763 1319 V HA 0.222 4.342 4.120 -0.000 0.000 0.306 1319 V C -1.624 174.484 176.094 0.024 0.000 1.059 1319 V CA -1.653 60.660 62.300 0.022 0.000 1.138 1319 V CB 0.563 32.398 31.823 0.020 0.000 0.940 1319 V HN 0.435 nan 8.190 nan 0.000 0.489 1320 P HA 0.300 nan 4.420 nan 0.000 0.276 1320 P C 0.585 177.890 177.300 0.009 0.000 1.230 1320 P CA 0.711 63.820 63.100 0.015 0.000 0.776 1320 P CB 1.274 32.977 31.700 0.004 0.000 0.888 1321 G N 2.483 111.296 108.800 0.023 0.000 2.201 1321 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.212 1321 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.212 1321 G C 0.099 175.036 174.900 0.061 0.000 0.994 1321 G CA 0.173 45.283 45.100 0.016 0.000 0.644 1321 G HN 0.723 nan 8.290 nan 0.000 0.508 1322 I N -2.460 118.152 120.570 0.071 0.000 3.100 1322 I HA 0.782 4.952 4.170 -0.000 0.000 0.312 1322 I C -0.920 175.264 176.117 0.111 0.000 1.063 1322 I CA -1.223 60.135 61.300 0.097 0.000 1.031 1322 I CB 2.048 40.098 38.000 0.083 0.000 1.243 1322 I HN -0.086 nan 8.210 nan 0.000 0.483 1323 D N 4.222 124.706 120.400 0.140 0.000 2.493 1323 D HA 0.281 4.921 4.640 -0.000 0.000 0.235 1323 D C -1.946 174.431 176.300 0.128 0.000 1.117 1323 D CA -1.832 52.246 54.000 0.129 0.000 0.930 1323 D CB 1.084 41.971 40.800 0.145 0.000 1.010 1323 D HN 0.384 nan 8.370 nan 0.000 0.514 1324 P HA 0.002 nan 4.420 nan 0.000 0.288 1324 P C 0.609 177.962 177.300 0.088 0.000 1.448 1324 P CA 0.324 63.480 63.100 0.092 0.000 0.764 1324 P CB 0.249 31.991 31.700 0.070 0.000 1.472 1325 T N -1.204 113.406 114.554 0.094 0.000 2.986 1325 T HA 0.221 4.571 4.350 -0.000 0.000 0.264 1325 T C 1.384 176.135 174.700 0.085 0.000 0.964 1325 T CA 0.050 62.193 62.100 0.073 0.000 0.895 1325 T CB 0.382 69.276 68.868 0.043 0.000 1.163 1325 T HN 0.148 nan 8.240 nan 0.000 0.517 1326 R N 0.176 120.760 120.500 0.139 0.000 2.509 1326 R HA 0.435 4.775 4.340 -0.000 0.000 0.297 1326 R C 0.505 177.053 176.300 0.413 0.000 0.951 1326 R CA -0.223 55.986 56.100 0.181 0.000 1.103 1326 R CB 0.924 31.252 30.300 0.046 0.000 1.283 1326 R HN 0.312 nan 8.270 nan 0.000 0.534 1327 I N 1.325 122.093 120.570 0.329 0.000 2.815 1327 I HA -0.086 4.084 4.170 -0.000 0.000 0.291 1327 I C -1.048 175.286 176.117 0.361 0.000 1.209 1327 I CA 0.403 61.885 61.300 0.303 0.000 1.431 1327 I CB 0.375 38.486 38.000 0.185 0.000 1.351 1327 I HN 0.009 nan 8.210 nan 0.000 0.585 1328 Y N 5.676 126.069 120.300 0.154 0.000 2.362 1328 Y HA 0.380 4.930 4.550 -0.000 0.000 0.326 1328 Y C -1.063 174.901 175.900 0.107 0.000 1.083 1328 Y CA -0.851 57.336 58.100 0.146 0.000 1.073 1328 Y CB 1.636 40.212 38.460 0.194 0.000 1.211 1328 Y HN 0.505 nan 8.280 nan 0.000 0.433 1329 T N 6.016 120.360 114.554 -0.351 0.000 2.779 1329 T HA 0.155 4.505 4.350 -0.000 0.000 0.280 1329 T C 0.809 175.119 174.700 -0.650 0.000 0.987 1329 T CA -0.633 61.232 62.100 -0.391 0.000 0.966 1329 T CB 0.528 69.323 68.868 -0.122 0.000 0.933 1329 T HN 0.714 nan 8.240 nan 0.000 0.442 1330 N N 1.663 120.030 118.700 -0.554 0.000 2.585 1330 N HA -0.080 4.660 4.740 -0.000 0.000 0.188 1330 N C 0.731 176.257 175.510 0.026 0.000 1.102 1330 N CA 0.252 53.109 53.050 -0.322 0.000 0.920 1330 N CB 0.085 38.495 38.487 -0.129 0.000 0.963 1330 N HN 0.329 nan 8.380 nan 0.000 0.447 1331 S N 0.268 115.978 115.700 0.018 0.000 2.681 1331 S HA 0.187 4.657 4.470 -0.000 0.000 0.313 1331 S C 0.678 175.377 174.600 0.165 0.000 1.137 1331 S CA -1.033 57.238 58.200 0.117 0.000 1.045 1331 S CB -0.981 62.217 63.200 -0.004 0.000 1.208 1331 S HN 0.374 nan 8.310 nan 0.000 0.523 1332 F N 3.259 123.235 119.950 0.044 0.000 2.269 1332 F HA 0.012 4.539 4.527 -0.000 0.000 0.301 1332 F C 1.695 177.535 175.800 0.066 0.000 1.082 1332 F CA 0.175 58.228 58.000 0.088 0.000 1.360 1332 F CB -0.383 38.687 39.000 0.117 0.000 1.041 1332 F HN 0.425 nan 8.300 nan 0.000 0.512 1333 I N 1.905 122.131 120.570 -0.573 0.000 2.194 1333 I HA -0.281 3.889 4.170 -0.000 0.000 0.246 1333 I C 1.947 177.977 176.117 -0.144 0.000 1.093 1333 I CA 1.806 62.852 61.300 -0.424 0.000 1.355 1333 I CB -0.820 36.932 38.000 -0.414 0.000 1.046 1333 I HN 0.301 nan 8.210 nan 0.000 0.413 1334 D N 0.438 120.790 120.400 -0.080 0.000 2.106 1334 D HA -0.076 4.564 4.640 -0.000 0.000 0.203 1334 D C 2.271 178.593 176.300 0.037 0.000 0.977 1334 D CA 0.882 54.872 54.000 -0.017 0.000 0.844 1334 D CB -0.195 40.599 40.800 -0.011 0.000 1.002 1334 D HN 0.275 nan 8.370 nan 0.000 0.461 1335 I N 1.461 122.084 120.570 0.089 0.000 2.381 1335 I HA -0.259 3.911 4.170 -0.000 0.000 0.255 1335 I C 2.416 178.611 176.117 0.130 0.000 1.140 1335 I CA 0.823 62.209 61.300 0.144 0.000 1.404 1335 I CB -0.167 37.979 38.000 0.243 0.000 1.075 1335 I HN 0.084 nan 8.210 nan 0.000 0.433 1336 M N 0.326 119.993 119.600 0.112 0.000 2.388 1336 M HA -0.107 4.373 4.480 -0.000 0.000 0.265 1336 M C 1.767 178.104 176.300 0.061 0.000 1.088 1336 M CA 1.673 57.032 55.300 0.098 0.000 1.134 1336 M CB -0.183 32.477 32.600 0.099 0.000 1.384 1336 M HN 0.196 nan 8.290 nan 0.000 0.447 1337 E N -0.375 119.848 120.200 0.039 0.000 2.216 1337 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 1337 E C 1.942 178.562 176.600 0.033 0.000 0.988 1337 E CA 0.900 57.316 56.400 0.026 0.000 0.834 1337 E CB 0.329 30.033 29.700 0.006 0.000 0.772 1337 E HN 0.400 nan 8.360 nan 0.000 0.479 1338 V N 0.590 120.530 119.914 0.044 0.000 2.521 1338 V HA -0.061 4.059 4.120 -0.000 0.000 0.239 1338 V C 1.942 178.069 176.094 0.054 0.000 1.053 1338 V CA 0.820 63.147 62.300 0.046 0.000 1.073 1338 V CB -0.134 31.719 31.823 0.050 0.000 0.746 1338 V HN 0.183 nan 8.190 nan 0.000 0.476 1339 L N 0.589 121.854 121.223 0.069 0.000 2.592 1339 L HA 0.502 4.842 4.340 -0.000 0.000 0.227 1339 L C 1.005 177.916 176.870 0.068 0.000 1.127 1339 L CA 0.661 55.544 54.840 0.072 0.000 0.884 1339 L CB -0.450 41.664 42.059 0.092 0.000 1.065 1339 L HN 0.566 nan 8.230 nan 0.000 0.457 1340 G N 0.302 109.141 108.800 0.066 0.000 2.719 1340 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.686 1340 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.686 1340 G C 0.365 175.311 174.900 0.076 0.000 1.201 1340 G CA -0.178 44.960 45.100 0.063 0.000 0.768 1340 G HN 0.066 nan 8.290 nan 0.000 0.629 1341 I N 0.465 121.079 120.570 0.073 0.000 2.113 1341 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 1341 I C 2.607 178.779 176.117 0.091 0.000 1.057 1341 I CA 2.548 63.898 61.300 0.085 0.000 1.314 1341 I CB -0.024 38.020 38.000 0.074 0.000 1.022 1341 I HN 0.763 nan 8.210 nan 0.000 0.408 1342 E N 0.820 121.065 120.200 0.076 0.000 2.086 1342 E HA -0.290 4.060 4.350 -0.000 0.000 0.200 1342 E C 2.157 178.804 176.600 0.078 0.000 1.012 1342 E CA 1.713 58.155 56.400 0.070 0.000 0.812 1342 E CB -0.497 29.236 29.700 0.055 0.000 0.743 1342 E HN 0.696 nan 8.360 nan 0.000 0.453 1343 A N 0.738 123.607 122.820 0.082 0.000 2.015 1343 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 1343 A C 2.423 180.088 177.584 0.136 0.000 1.163 1343 A CA 1.801 53.895 52.037 0.095 0.000 0.646 1343 A CB -0.806 18.251 19.000 0.095 0.000 0.806 1343 A HN 0.336 nan 8.150 nan 0.000 0.448 1344 G N -0.705 108.184 108.800 0.149 0.000 2.404 1344 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.215 1344 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.215 1344 G C 1.728 176.751 174.900 0.205 0.000 1.174 1344 G CA 0.809 46.032 45.100 0.206 0.000 0.780 1344 G HN 0.484 nan 8.290 nan 0.000 0.537 1345 R N 0.627 121.219 120.500 0.154 0.000 2.103 1345 R HA -0.123 4.217 4.340 -0.000 0.000 0.242 1345 R C 2.882 179.265 176.300 0.138 0.000 1.142 1345 R CA 1.604 57.783 56.100 0.132 0.000 0.960 1345 R CB -0.500 29.855 30.300 0.092 0.000 0.858 1345 R HN 0.295 nan 8.270 nan 0.000 0.439 1346 A N 0.633 123.524 122.820 0.119 0.000 1.873 1346 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 1346 A C 2.359 180.038 177.584 0.158 0.000 1.193 1346 A CA 2.225 54.329 52.037 0.111 0.000 0.629 1346 A CB -0.860 18.183 19.000 0.070 0.000 0.826 1346 A HN 0.561 nan 8.150 nan 0.000 0.447 1347 A N -0.713 122.215 122.820 0.179 0.000 1.855 1347 A HA 0.039 4.359 4.320 -0.000 0.000 0.215 1347 A C 2.135 179.784 177.584 0.109 0.000 1.191 1347 A CA 1.706 53.887 52.037 0.241 0.000 0.613 1347 A CB -0.761 18.491 19.000 0.419 0.000 0.829 1347 A HN 0.889 nan 8.150 nan 0.000 0.442 1348 L N -1.092 120.133 121.223 0.003 0.000 2.021 1348 L HA -0.228 4.112 4.340 -0.000 0.000 0.215 1348 L C 2.261 179.032 176.870 -0.166 0.000 1.074 1348 L CA 2.768 57.404 54.840 -0.340 0.000 0.760 1348 L CB -1.205 40.770 42.059 -0.140 0.000 0.889 1348 L HN 0.553 nan 8.230 nan 0.000 0.433 1349 Y N 0.460 120.714 120.300 -0.077 0.000 2.070 1349 Y HA -0.281 4.269 4.550 -0.000 0.000 0.279 1349 Y C 2.792 178.706 175.900 0.024 0.000 1.134 1349 Y CA 2.507 60.584 58.100 -0.038 0.000 1.113 1349 Y CB -0.472 37.971 38.460 -0.029 0.000 0.981 1349 Y HN 0.244 nan 8.280 nan 0.000 0.487 1350 K N -0.050 120.486 120.400 0.226 0.000 2.097 1350 K HA -0.365 3.955 4.320 -0.000 0.000 0.214 1350 K C 2.101 178.738 176.600 0.061 0.000 1.052 1350 K CA 2.351 58.739 56.287 0.169 0.000 0.932 1350 K CB -0.325 32.256 32.500 0.134 0.000 0.716 1350 K HN 0.371 nan 8.250 nan 0.000 0.455 1351 E N 0.074 120.291 120.200 0.028 0.000 2.051 1351 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 1351 E C 1.856 178.395 176.600 -0.101 0.000 0.991 1351 E CA 1.346 57.742 56.400 -0.008 0.000 0.799 1351 E CB -0.084 29.570 29.700 -0.077 0.000 0.748 1351 E HN 0.173 nan 8.360 nan 0.000 0.449 1352 V N 0.580 120.377 119.914 -0.194 0.000 2.392 1352 V HA -0.277 3.842 4.120 -0.000 0.000 0.249 1352 V C 2.152 178.138 176.094 -0.180 0.000 1.059 1352 V CA 2.103 64.288 62.300 -0.192 0.000 1.051 1352 V CB -0.779 30.912 31.823 -0.220 0.000 0.658 1352 V HN 0.418 nan 8.190 nan 0.000 0.455 1353 Y N 1.636 121.698 120.300 -0.396 0.000 2.224 1353 Y HA -0.193 4.357 4.550 -0.000 0.000 0.289 1353 Y C 2.385 178.210 175.900 -0.125 0.000 1.146 1353 Y CA 1.774 59.691 58.100 -0.304 0.000 1.182 1353 Y CB -0.486 37.730 38.460 -0.408 0.000 0.983 1353 Y HN 0.283 nan 8.280 nan 0.000 0.524 1354 N N -0.115 118.456 118.700 -0.215 0.000 2.381 1354 N HA -0.128 4.612 4.740 -0.000 0.000 0.182 1354 N C 1.748 177.137 175.510 -0.201 0.000 1.025 1354 N CA 1.410 54.323 53.050 -0.229 0.000 0.888 1354 N CB 0.090 38.556 38.487 -0.035 0.000 0.965 1354 N HN 0.330 nan 8.380 nan 0.000 0.438 1355 V N 1.256 121.073 119.914 -0.162 0.000 2.407 1355 V HA -0.076 4.044 4.120 -0.000 0.000 0.245 1355 V C 2.147 178.163 176.094 -0.130 0.000 1.041 1355 V CA 1.011 63.243 62.300 -0.114 0.000 1.040 1355 V CB -0.163 31.611 31.823 -0.082 0.000 0.671 1355 V HN 0.199 nan 8.190 nan 0.000 0.455 1356 I N 0.475 120.943 120.570 -0.169 0.000 2.716 1356 I HA -0.046 4.124 4.170 -0.000 0.000 0.259 1356 I C 2.525 178.532 176.117 -0.183 0.000 1.172 1356 I CA 1.053 62.272 61.300 -0.136 0.000 1.478 1356 I CB -0.388 37.560 38.000 -0.086 0.000 1.104 1356 I HN 0.257 nan 8.210 nan 0.000 0.439 1357 A N 0.898 123.503 122.820 -0.357 0.000 1.930 1357 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 1357 A C 2.416 179.877 177.584 -0.205 0.000 1.176 1357 A CA 1.446 53.255 52.037 -0.381 0.000 0.632 1357 A CB -0.618 17.925 19.000 -0.761 0.000 0.819 1357 A HN 0.468 nan 8.150 nan 0.000 0.445 1358 S N -0.538 115.058 115.700 -0.173 0.000 2.500 1358 S HA -0.135 4.335 4.470 -0.000 0.000 0.239 1358 S C 1.225 175.785 174.600 -0.066 0.000 0.989 1358 S CA 1.306 59.446 58.200 -0.100 0.000 0.951 1358 S CB -0.239 62.913 63.200 -0.079 0.000 0.759 1358 S HN 0.552 nan 8.310 nan 0.000 0.523 1359 D N 0.839 121.199 120.400 -0.067 0.000 2.367 1359 D HA 0.189 4.829 4.640 -0.000 0.000 0.207 1359 D C 1.364 177.648 176.300 -0.027 0.000 1.034 1359 D CA 0.822 54.799 54.000 -0.038 0.000 0.861 1359 D CB 0.375 41.155 40.800 -0.033 0.000 0.943 1359 D HN 0.593 nan 8.370 nan 0.000 0.515 1360 G N 0.953 109.730 108.800 -0.038 0.000 2.141 1360 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.242 1360 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.242 1360 G C 0.390 175.294 174.900 0.007 0.000 0.982 1360 G CA 0.412 45.499 45.100 -0.021 0.000 0.662 1360 G HN 0.294 nan 8.290 nan 0.000 0.527 1361 S N -0.828 114.878 115.700 0.009 0.000 2.681 1361 S HA 0.754 5.224 4.470 -0.000 0.000 0.270 1361 S C -0.647 174.040 174.600 0.145 0.000 1.209 1361 S CA -0.301 57.932 58.200 0.055 0.000 0.988 1361 S CB 1.638 64.853 63.200 0.026 0.000 1.006 1361 S HN 0.888 nan 8.310 nan 0.000 0.558 1362 Y N 0.478 120.784 120.300 0.009 0.000 2.433 1362 Y HA 0.606 5.156 4.550 -0.000 0.000 0.337 1362 Y C -1.606 174.339 175.900 0.076 0.000 1.026 1362 Y CA -1.296 56.832 58.100 0.047 0.000 1.037 1362 Y CB 0.722 39.204 38.460 0.036 0.000 1.245 1362 Y HN 0.366 nan 8.280 nan 0.000 0.443 1363 V N 6.046 125.948 119.914 -0.021 0.000 2.709 1363 V HA 0.321 4.441 4.120 -0.000 0.000 0.308 1363 V C -0.399 175.602 176.094 -0.155 0.000 1.062 1363 V CA -1.302 60.915 62.300 -0.138 0.000 0.901 1363 V CB 2.010 33.889 31.823 0.094 0.000 1.003 1363 V HN 0.832 nan 8.190 nan 0.000 0.425 1364 N N 2.625 121.195 118.700 -0.216 0.000 2.416 1364 N HA 0.052 4.792 4.740 -0.000 0.000 0.265 1364 N C 1.042 176.549 175.510 -0.006 0.000 1.195 1364 N CA -0.130 52.857 53.050 -0.104 0.000 0.943 1364 N CB 0.333 38.704 38.487 -0.194 0.000 1.115 1364 N HN 0.760 nan 8.380 nan 0.000 0.481 1365 Y N 5.529 125.874 120.300 0.074 0.000 2.120 1365 Y HA -0.528 4.022 4.550 -0.000 0.000 0.200 1365 Y C 2.116 178.005 175.900 -0.018 0.000 1.255 1365 Y CA 3.076 61.234 58.100 0.097 0.000 0.923 1365 Y CB -0.483 37.993 38.460 0.027 0.000 0.722 1365 Y HN 0.707 nan 8.280 nan 0.000 0.561 1366 R N -1.418 119.040 120.500 -0.071 0.000 2.224 1366 R HA -0.340 4.000 4.340 -0.000 0.000 0.255 1366 R C 1.835 177.981 176.300 -0.258 0.000 1.130 1366 R CA 2.186 58.103 56.100 -0.305 0.000 0.957 1366 R CB -1.617 28.402 30.300 -0.467 0.000 0.907 1366 R HN 0.585 nan 8.270 nan 0.000 0.446 1367 H N 0.842 119.894 119.070 -0.029 0.000 2.256 1367 H HA -0.033 4.523 4.556 -0.000 0.000 0.299 1367 H C 2.386 177.690 175.328 -0.040 0.000 1.071 1367 H CA 1.995 58.035 56.048 -0.014 0.000 1.280 1367 H CB -0.568 29.190 29.762 -0.007 0.000 1.370 1367 H HN 0.276 nan 8.280 nan 0.000 0.490 1368 M N 0.349 120.008 119.600 0.097 0.000 2.149 1368 M HA -0.131 4.349 4.480 -0.000 0.000 0.261 1368 M C 2.713 179.028 176.300 0.025 0.000 1.064 1368 M CA 1.457 56.786 55.300 0.049 0.000 1.102 1368 M CB -0.317 32.311 32.600 0.048 0.000 1.369 1368 M HN 0.271 nan 8.290 nan 0.000 0.408 1369 A N 0.854 123.595 122.820 -0.132 0.000 1.835 1369 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 1369 A C 2.106 179.606 177.584 -0.140 0.000 1.199 1369 A CA 1.686 53.535 52.037 -0.313 0.000 0.615 1369 A CB -1.095 17.375 19.000 -0.883 0.000 0.838 1369 A HN 0.423 nan 8.150 nan 0.000 0.444 1370 L N -0.301 120.858 121.223 -0.107 0.000 2.010 1370 L HA -0.244 4.096 4.340 -0.000 0.000 0.219 1370 L C 2.391 179.246 176.870 -0.026 0.000 1.077 1370 L CA 2.731 57.552 54.840 -0.032 0.000 0.773 1370 L CB -0.858 41.226 42.059 0.043 0.000 0.892 1370 L HN 0.504 nan 8.230 nan 0.000 0.436 1371 L N -1.419 119.792 121.223 -0.020 0.000 2.012 1371 L HA -0.145 4.194 4.340 -0.000 0.000 0.210 1371 L C 2.442 179.303 176.870 -0.014 0.000 1.073 1371 L CA 2.042 56.863 54.840 -0.031 0.000 0.748 1371 L CB -1.012 41.027 42.059 -0.034 0.000 0.891 1371 L HN 0.117 nan 8.230 nan 0.000 0.431 1372 V N 0.248 120.164 119.914 0.004 0.000 2.469 1372 V HA -0.283 3.837 4.120 -0.000 0.000 0.251 1372 V C 2.159 178.270 176.094 0.029 0.000 1.064 1372 V CA 2.338 64.657 62.300 0.032 0.000 1.066 1372 V CB -0.623 31.255 31.823 0.091 0.000 0.667 1372 V HN 0.624 nan 8.190 nan 0.000 0.461 1373 D N -0.549 119.851 120.400 0.001 0.000 2.120 1373 D HA -0.094 4.546 4.640 -0.000 0.000 0.202 1373 D C 2.165 178.464 176.300 -0.001 0.000 0.972 1373 D CA 1.502 55.500 54.000 -0.004 0.000 0.837 1373 D CB -0.172 40.609 40.800 -0.030 0.000 0.989 1373 D HN 0.401 nan 8.370 nan 0.000 0.469 1374 V N 1.712 121.618 119.914 -0.014 0.000 2.392 1374 V HA -0.264 3.856 4.120 -0.000 0.000 0.249 1374 V C 2.545 178.647 176.094 0.013 0.000 1.059 1374 V CA 1.418 63.707 62.300 -0.019 0.000 1.051 1374 V CB -0.514 31.274 31.823 -0.057 0.000 0.658 1374 V HN 0.211 nan 8.190 nan 0.000 0.455 1375 M N -0.592 119.025 119.600 0.029 0.000 2.254 1375 M HA -0.123 4.357 4.480 -0.000 0.000 0.265 1375 M C 2.306 178.658 176.300 0.087 0.000 1.066 1375 M CA 2.090 57.433 55.300 0.071 0.000 1.123 1375 M CB -0.495 32.158 32.600 0.089 0.000 1.388 1375 M HN 0.515 nan 8.290 nan 0.000 0.425 1376 T N -0.178 114.418 114.554 0.071 0.000 2.904 1376 T HA -0.072 4.278 4.350 -0.000 0.000 0.243 1376 T C 1.821 176.556 174.700 0.059 0.000 1.024 1376 T CA 1.851 63.997 62.100 0.076 0.000 1.158 1376 T CB -0.512 68.403 68.868 0.078 0.000 0.867 1376 T HN 0.531 nan 8.240 nan 0.000 0.429 1377 T N 1.373 115.950 114.554 0.038 0.000 2.270 1377 T HA -0.431 3.919 4.350 -0.000 0.000 0.212 1377 T C 1.813 176.537 174.700 0.040 0.000 1.575 1377 T CA 2.331 64.447 62.100 0.027 0.000 1.106 1377 T CB -1.540 67.326 68.868 -0.004 0.000 0.844 1377 T HN 0.548 nan 8.240 nan 0.000 0.414 1378 Q N 1.378 121.203 119.800 0.042 0.000 2.221 1378 Q HA -0.316 4.024 4.340 -0.000 0.000 0.220 1378 Q C 2.064 178.096 176.000 0.053 0.000 1.057 1378 Q CA 2.625 58.459 55.803 0.051 0.000 0.949 1378 Q CB -0.875 27.901 28.738 0.064 0.000 1.077 1378 Q HN 0.958 nan 8.270 nan 0.000 0.436 1379 G N -3.315 105.520 108.800 0.057 0.000 4.204 1379 G HA2 0.140 4.099 3.960 -0.000 0.000 0.198 1379 G HA3 0.140 4.099 3.960 -0.000 0.000 0.198 1379 G C 0.162 175.098 174.900 0.059 0.000 0.964 1379 G CA 0.356 45.489 45.100 0.055 0.000 0.914 1379 G HN 0.640 nan 8.290 nan 0.000 0.317 1380 G N -0.259 108.579 108.800 0.064 0.000 3.366 1380 G HA2 0.516 4.476 3.960 -0.000 0.000 0.179 1380 G HA3 0.516 4.476 3.960 -0.000 0.000 0.179 1380 G C -1.013 173.939 174.900 0.086 0.000 1.143 1380 G CA -0.524 44.617 45.100 0.068 0.000 0.810 1380 G HN 0.424 nan 8.290 nan 0.000 0.697 1381 L N 2.452 123.724 121.223 0.082 0.000 2.353 1381 L HA 0.344 4.684 4.340 -0.000 0.000 0.269 1381 L C -0.249 176.687 176.870 0.110 0.000 1.085 1381 L CA -0.244 54.663 54.840 0.111 0.000 0.938 1381 L CB 0.912 43.024 42.059 0.088 0.000 1.312 1381 L HN 0.241 nan 8.230 nan 0.000 0.429 1382 T N 1.065 115.692 114.554 0.122 0.000 2.723 1382 T HA 0.137 4.487 4.350 -0.000 0.000 0.297 1382 T C 0.588 175.390 174.700 0.171 0.000 0.925 1382 T CA -0.406 61.775 62.100 0.136 0.000 1.030 1382 T CB 0.644 69.593 68.868 0.134 0.000 0.905 1382 T HN 0.618 nan 8.240 nan 0.000 0.502 1383 S N 2.411 118.220 115.700 0.182 0.000 2.572 1383 S HA 0.175 4.645 4.470 -0.000 0.000 0.279 1383 S C 0.532 175.315 174.600 0.304 0.000 1.341 1383 S CA -0.926 57.402 58.200 0.213 0.000 1.043 1383 S CB 0.560 63.877 63.200 0.194 0.000 0.887 1383 S HN 0.416 nan 8.310 nan 0.000 0.516 1384 V N 3.421 123.513 119.914 0.297 0.000 1.984 1384 V HA 0.289 4.409 4.120 -0.000 0.000 0.272 1384 V C 0.191 176.594 176.094 0.515 0.000 1.706 1384 V CA -0.026 62.533 62.300 0.431 0.000 1.644 1384 V CB -1.522 30.388 31.823 0.145 0.000 1.509 1384 V HN 1.016 nan 8.190 nan 0.000 0.511 1385 T N 0.787 115.606 114.554 0.441 0.000 2.868 1385 T HA 0.271 4.621 4.350 -0.000 0.000 0.306 1385 T C 1.050 175.702 174.700 -0.079 0.000 1.224 1385 T CA -0.767 61.467 62.100 0.223 0.000 1.012 1385 T CB 2.170 71.163 68.868 0.209 0.000 1.221 1385 T HN 0.472 nan 8.240 nan 0.000 0.499 1386 R N 0.636 121.019 120.500 -0.195 0.000 2.244 1386 R HA -0.236 4.104 4.340 -0.000 0.000 0.252 1386 R C 1.141 177.243 176.300 -0.331 0.000 1.177 1386 R CA 1.978 57.813 56.100 -0.442 0.000 1.004 1386 R CB -0.368 29.594 30.300 -0.564 0.000 0.873 1386 R HN 0.624 nan 8.270 nan 0.000 0.469 1387 H N -0.745 118.268 119.070 -0.094 0.000 2.372 1387 H HA 0.115 4.671 4.556 -0.000 0.000 0.301 1387 H C 1.722 177.028 175.328 -0.037 0.000 1.065 1387 H CA 1.415 57.432 56.048 -0.052 0.000 1.364 1387 H CB -0.199 29.560 29.762 -0.006 0.000 1.406 1387 H HN 0.442 nan 8.280 nan 0.000 0.521 1388 G N 0.481 109.349 108.800 0.113 0.000 2.964 1388 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.191 1388 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.191 1388 G C 1.347 176.293 174.900 0.075 0.000 1.978 1388 G CA 0.367 45.535 45.100 0.114 0.000 0.861 1388 G HN 0.328 nan 8.290 nan 0.000 0.584 1389 F N 2.046 122.054 119.950 0.098 0.000 2.106 1389 F HA -0.256 4.271 4.527 -0.000 0.000 0.299 1389 F C 1.538 177.392 175.800 0.091 0.000 1.082 1389 F CA 1.943 59.992 58.000 0.082 0.000 1.244 1389 F CB -0.936 38.103 39.000 0.065 0.000 0.997 1389 F HN 0.236 nan 8.300 nan 0.000 0.486 1390 N N 0.402 118.624 118.700 -0.798 0.000 2.551 1390 N HA -0.065 4.675 4.740 -0.000 0.000 0.199 1390 N C 1.403 176.819 175.510 -0.158 0.000 1.277 1390 N CA 0.550 53.303 53.050 -0.495 0.000 0.870 1390 N CB -0.321 37.804 38.487 -0.605 0.000 1.028 1390 N HN 0.733 nan 8.380 nan 0.000 0.452 1391 R N -1.609 118.854 120.500 -0.060 0.000 2.469 1391 R HA 0.219 4.559 4.340 -0.000 0.000 0.250 1391 R C 0.442 176.762 176.300 0.034 0.000 0.909 1391 R CA -0.145 55.947 56.100 -0.013 0.000 1.050 1391 R CB -0.246 30.051 30.300 -0.005 0.000 1.256 1391 R HN 0.132 nan 8.270 nan 0.000 0.550 1392 S N 1.042 116.784 115.700 0.071 0.000 2.614 1392 S HA -0.027 4.443 4.470 -0.000 0.000 0.251 1392 S C 0.606 175.246 174.600 0.066 0.000 1.388 1392 S CA 0.001 58.249 58.200 0.080 0.000 0.973 1392 S CB 0.222 63.488 63.200 0.111 0.000 0.926 1392 S HN 0.412 nan 8.310 nan 0.000 0.580 1393 N N 0.721 119.458 118.700 0.061 0.000 2.635 1393 N HA -0.042 4.698 4.740 -0.000 0.000 0.191 1393 N C 0.233 175.775 175.510 0.054 0.000 1.155 1393 N CA 0.776 53.857 53.050 0.051 0.000 0.927 1393 N CB -0.974 37.540 38.487 0.045 0.000 0.976 1393 N HN 0.702 nan 8.380 nan 0.000 0.448 1394 T N 0.449 115.043 114.554 0.067 0.000 2.854 1394 T HA 0.111 4.461 4.350 -0.000 0.000 0.336 1394 T C 1.327 176.064 174.700 0.063 0.000 1.095 1394 T CA -0.038 62.103 62.100 0.068 0.000 1.118 1394 T CB 0.398 69.322 68.868 0.093 0.000 1.025 1394 T HN 0.224 nan 8.240 nan 0.000 0.549 1395 G N -0.200 108.633 108.800 0.055 0.000 2.771 1395 G HA2 0.340 4.300 3.960 -0.000 0.000 0.242 1395 G HA3 0.340 4.300 3.960 -0.000 0.000 0.242 1395 G C 1.101 176.054 174.900 0.087 0.000 1.233 1395 G CA -0.300 44.834 45.100 0.057 0.000 0.858 1395 G HN 0.964 nan 8.290 nan 0.000 0.591 1396 A N 0.018 122.918 122.820 0.133 0.000 1.835 1396 A HA 0.095 4.415 4.320 -0.000 0.000 0.213 1396 A C 2.488 180.159 177.584 0.145 0.000 1.210 1396 A CA 1.126 53.265 52.037 0.170 0.000 0.605 1396 A CB -0.635 18.575 19.000 0.349 0.000 0.860 1396 A HN 0.568 nan 8.150 nan 0.000 0.447 1397 L N -0.689 120.652 121.223 0.196 0.000 2.151 1397 L HA -0.301 4.039 4.340 -0.000 0.000 0.215 1397 L C 2.802 179.721 176.870 0.081 0.000 1.084 1397 L CA 2.055 56.976 54.840 0.135 0.000 0.764 1397 L CB -0.408 41.729 42.059 0.130 0.000 0.891 1397 L HN 0.692 nan 8.230 nan 0.000 0.435 1398 M N -0.187 119.461 119.600 0.079 0.000 2.081 1398 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 1398 M C 2.349 178.709 176.300 0.101 0.000 1.075 1398 M CA 1.743 57.089 55.300 0.076 0.000 1.133 1398 M CB -0.127 32.515 32.600 0.072 0.000 1.330 1398 M HN -0.016 nan 8.290 nan 0.000 0.414 1399 R N -0.346 120.215 120.500 0.102 0.000 2.241 1399 R HA -0.131 4.209 4.340 -0.000 0.000 0.224 1399 R C 2.460 178.801 176.300 0.069 0.000 1.101 1399 R CA 1.146 57.311 56.100 0.107 0.000 0.995 1399 R CB -1.086 29.250 30.300 0.059 0.000 0.870 1399 R HN 0.587 nan 8.270 nan 0.000 0.463 1400 C N 1.271 120.599 119.300 0.046 0.000 2.422 1400 C HA -0.039 4.421 4.460 -0.000 0.000 0.279 1400 C C 2.032 177.034 174.990 0.020 0.000 1.305 1400 C CA 1.199 60.217 59.018 0.000 0.000 1.757 1400 C CB -0.756 26.982 27.740 -0.003 0.000 1.962 1400 C HN 0.503 nan 8.230 nan 0.000 0.499 1401 S N -0.951 114.793 115.700 0.073 0.000 2.994 1401 S HA 0.359 4.829 4.470 -0.000 0.000 0.247 1401 S C -0.400 174.334 174.600 0.223 0.000 1.323 1401 S CA -0.304 57.953 58.200 0.096 0.000 1.246 1401 S CB -0.758 62.486 63.200 0.073 0.000 0.994 1401 S HN 0.602 nan 8.310 nan 0.000 0.484 1402 F N 0.718 120.651 119.950 -0.029 0.000 3.362 1402 F HA 0.255 4.782 4.527 -0.000 0.000 0.360 1402 F C 0.230 175.994 175.800 -0.061 0.000 1.163 1402 F CA -1.067 56.917 58.000 -0.027 0.000 1.359 1402 F CB -0.302 38.700 39.000 0.003 0.000 1.735 1402 F HN 0.363 nan 8.300 nan 0.000 0.763 1403 E N 2.025 121.944 120.200 -0.467 0.000 4.586 1403 E HA -0.303 4.047 4.350 -0.000 0.000 0.271 1403 E C 0.508 176.897 176.600 -0.352 0.000 0.767 1403 E CA 2.034 58.114 56.400 -0.534 0.000 1.491 1403 E CB -0.465 28.643 29.700 -0.986 0.000 1.758 1403 E HN 0.837 nan 8.360 nan 0.000 0.398 1404 E N -0.450 119.568 120.200 -0.303 0.000 2.641 1404 E HA 0.084 4.434 4.350 -0.000 0.000 0.224 1404 E C 0.936 177.419 176.600 -0.196 0.000 0.951 1404 E CA 0.660 56.923 56.400 -0.229 0.000 1.102 1404 E CB 0.679 30.245 29.700 -0.224 0.000 1.091 1404 E HN 0.293 nan 8.360 nan 0.000 0.507 1405 T N 0.834 115.283 114.554 -0.175 0.000 1.777 1405 T HA -0.384 3.966 4.350 -0.000 0.000 0.125 1405 T C 1.876 176.429 174.700 -0.245 0.000 1.856 1405 T CA 2.310 64.308 62.100 -0.170 0.000 0.849 1405 T CB -1.196 67.583 68.868 -0.148 0.000 0.780 1405 T HN 0.059 nan 8.240 nan 0.000 0.406 1406 V N 2.376 122.103 119.914 -0.313 0.000 2.261 1406 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 1406 V C 2.810 178.555 176.094 -0.581 0.000 1.047 1406 V CA 2.508 64.487 62.300 -0.535 0.000 1.015 1406 V CB -0.904 30.572 31.823 -0.578 0.000 0.642 1406 V HN 0.578 nan 8.190 nan 0.000 0.446 1407 E N -0.253 119.739 120.200 -0.347 0.000 2.086 1407 E HA -0.272 4.078 4.350 -0.000 0.000 0.200 1407 E C 2.172 178.692 176.600 -0.132 0.000 1.012 1407 E CA 1.888 58.179 56.400 -0.182 0.000 0.812 1407 E CB -0.245 29.383 29.700 -0.121 0.000 0.743 1407 E HN 0.559 nan 8.360 nan 0.000 0.453 1408 I N 0.758 121.229 120.570 -0.165 0.000 2.252 1408 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 1408 I C 2.435 178.466 176.117 -0.143 0.000 1.102 1408 I CA 0.724 61.950 61.300 -0.123 0.000 1.385 1408 I CB -0.113 37.818 38.000 -0.115 0.000 1.064 1408 I HN 0.156 nan 8.210 nan 0.000 0.414 1409 L N -0.114 120.963 121.223 -0.243 0.000 2.079 1409 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 1409 L C 2.531 179.297 176.870 -0.175 0.000 1.081 1409 L CA 1.683 56.328 54.840 -0.325 0.000 0.752 1409 L CB -0.478 41.339 42.059 -0.405 0.000 0.896 1409 L HN 0.197 nan 8.230 nan 0.000 0.433 1410 F N 0.578 120.445 119.950 -0.138 0.000 2.026 1410 F HA -0.278 4.249 4.527 -0.000 0.000 0.296 1410 F C 2.324 178.175 175.800 0.084 0.000 1.133 1410 F CA 1.046 59.044 58.000 -0.004 0.000 1.188 1410 F CB -0.191 38.801 39.000 -0.012 0.000 0.968 1410 F HN 0.119 nan 8.300 nan 0.000 0.476 1411 E N 0.210 120.532 120.200 0.204 0.000 2.515 1411 E HA -0.083 4.266 4.350 -0.000 0.000 0.201 1411 E C 1.554 178.120 176.600 -0.057 0.000 1.071 1411 E CA 0.340 56.738 56.400 -0.003 0.000 0.880 1411 E CB -0.096 29.575 29.700 -0.048 0.000 0.828 1411 E HN 0.375 nan 8.360 nan 0.000 0.540 1412 A N 0.499 123.300 122.820 -0.032 0.000 2.095 1412 A HA 0.162 4.482 4.320 -0.000 0.000 0.212 1412 A C 2.126 179.730 177.584 0.033 0.000 1.162 1412 A CA 0.778 52.794 52.037 -0.034 0.000 0.753 1412 A CB 0.146 19.039 19.000 -0.178 0.000 0.840 1412 A HN 0.323 nan 8.150 nan 0.000 0.468 1413 G N -1.490 107.314 108.800 0.005 0.000 2.939 1413 G HA2 0.340 4.300 3.960 -0.000 0.000 0.216 1413 G HA3 0.340 4.300 3.960 -0.000 0.000 0.216 1413 G C 1.290 176.215 174.900 0.041 0.000 1.125 1413 G CA 0.913 46.067 45.100 0.090 0.000 0.766 1413 G HN 0.579 nan 8.290 nan 0.000 0.541 1414 A N 0.429 123.209 122.820 -0.067 0.000 2.119 1414 A HA 0.328 4.648 4.320 -0.000 0.000 0.216 1414 A C 1.902 179.178 177.584 -0.514 0.000 1.152 1414 A CA 1.458 53.278 52.037 -0.363 0.000 0.708 1414 A CB 0.095 18.680 19.000 -0.693 0.000 0.805 1414 A HN 0.175 nan 8.150 nan 0.000 0.460 1415 S N -0.860 114.647 115.700 -0.323 0.000 2.663 1415 S HA 0.478 4.948 4.470 -0.000 0.000 0.243 1415 S C 0.691 175.233 174.600 -0.097 0.000 1.009 1415 S CA 0.194 58.199 58.200 -0.325 0.000 0.988 1415 S CB 0.269 63.305 63.200 -0.273 0.000 0.896 1415 S HN 1.419 nan 8.310 nan 0.000 0.502 1416 A N 2.036 124.858 122.820 0.003 0.000 2.311 1416 A HA -0.235 4.085 4.320 -0.000 0.000 0.284 1416 A C 0.368 178.039 177.584 0.145 0.000 1.409 1416 A CA 0.821 52.947 52.037 0.148 0.000 0.764 1416 A CB -1.498 17.663 19.000 0.270 0.000 1.095 1416 A HN 0.641 nan 8.150 nan 0.000 0.369 1417 E N -1.487 118.797 120.200 0.140 0.000 2.409 1417 E HA 0.420 4.770 4.350 -0.000 0.000 0.257 1417 E C -0.162 176.461 176.600 0.039 0.000 1.150 1417 E CA -0.430 56.036 56.400 0.111 0.000 0.942 1417 E CB 0.492 30.292 29.700 0.167 0.000 0.979 1417 E HN 0.509 nan 8.360 nan 0.000 0.447 1418 L N 1.895 123.116 121.223 -0.002 0.000 2.381 1418 L HA 0.287 4.627 4.340 -0.000 0.000 0.274 1418 L C -1.246 175.574 176.870 -0.084 0.000 0.988 1418 L CA -0.375 54.417 54.840 -0.079 0.000 0.824 1418 L CB 1.721 43.766 42.059 -0.024 0.000 1.263 1418 L HN 0.383 nan 8.230 nan 0.000 0.410 1419 D N 2.848 123.147 120.400 -0.167 0.000 2.280 1419 D HA 0.158 4.798 4.640 -0.000 0.000 0.236 1419 D C 0.262 176.508 176.300 -0.090 0.000 1.082 1419 D CA -0.186 53.749 54.000 -0.108 0.000 0.834 1419 D CB 1.631 42.352 40.800 -0.131 0.000 1.100 1419 D HN 0.558 nan 8.370 nan 0.000 0.486 1420 D N 1.816 122.188 120.400 -0.047 0.000 2.149 1420 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 1420 D C 0.745 177.021 176.300 -0.040 0.000 0.990 1420 D CA 0.773 54.751 54.000 -0.037 0.000 0.839 1420 D CB 0.011 40.800 40.800 -0.017 0.000 0.948 1420 D HN 0.526 nan 8.370 nan 0.000 0.460 1421 C N -0.141 119.137 119.300 -0.037 0.000 4.664 1421 C HA -0.136 4.324 4.460 -0.000 0.000 0.309 1421 C C 1.377 176.354 174.990 -0.023 0.000 1.219 1421 C CA -0.201 58.796 59.018 -0.034 0.000 2.220 1421 C CB -2.329 25.383 27.740 -0.047 0.000 1.206 1421 C HN 0.408 nan 8.230 nan 0.000 0.743 1422 R N -0.105 120.388 120.500 -0.012 0.000 2.394 1422 R HA 0.222 4.562 4.340 -0.000 0.000 0.220 1422 R C 1.304 177.605 176.300 0.000 0.000 0.887 1422 R CA 0.618 56.716 56.100 -0.003 0.000 1.034 1422 R CB 0.435 30.738 30.300 0.004 0.000 1.179 1422 R HN 0.568 nan 8.270 nan 0.000 0.561 1423 G N 0.522 109.323 108.800 0.000 0.000 2.483 1423 G HA2 0.236 4.196 3.960 -0.000 0.000 0.248 1423 G HA3 0.236 4.196 3.960 -0.000 0.000 0.248 1423 G C 1.180 176.073 174.900 -0.012 0.000 1.248 1423 G CA -0.539 44.562 45.100 0.001 0.000 0.838 1423 G HN -0.105 nan 8.290 nan 0.000 0.566 1424 V N 2.287 122.189 119.914 -0.021 0.000 2.233 1424 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 1424 V C 2.985 179.062 176.094 -0.027 0.000 1.050 1424 V CA 2.462 64.742 62.300 -0.034 0.000 1.010 1424 V CB -1.241 30.554 31.823 -0.046 0.000 0.637 1424 V HN 0.707 nan 8.190 nan 0.000 0.444 1425 S N -0.139 115.550 115.700 -0.018 0.000 2.378 1425 S HA -0.310 4.160 4.470 -0.000 0.000 0.229 1425 S C 1.907 176.504 174.600 -0.005 0.000 1.052 1425 S CA 1.958 60.153 58.200 -0.008 0.000 1.084 1425 S CB -0.567 62.639 63.200 0.010 0.000 0.950 1425 S HN 0.700 nan 8.310 nan 0.000 0.440 1426 E N 1.751 121.951 120.200 -0.001 0.000 2.095 1426 E HA -0.210 4.140 4.350 -0.000 0.000 0.212 1426 E C 1.848 178.439 176.600 -0.015 0.000 1.044 1426 E CA 1.343 57.742 56.400 -0.003 0.000 0.857 1426 E CB -0.937 28.757 29.700 -0.010 0.000 0.764 1426 E HN 0.591 nan 8.360 nan 0.000 0.462 1427 N N 0.541 119.227 118.700 -0.024 0.000 2.106 1427 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 1427 N C 2.144 177.636 175.510 -0.031 0.000 1.029 1427 N CA 1.054 54.085 53.050 -0.031 0.000 0.848 1427 N CB -0.289 38.174 38.487 -0.039 0.000 1.007 1427 N HN -0.021 nan 8.380 nan 0.000 0.423 1428 V N 2.460 122.356 119.914 -0.030 0.000 2.370 1428 V HA -0.230 3.890 4.120 -0.000 0.000 0.252 1428 V C 2.173 178.253 176.094 -0.024 0.000 1.068 1428 V CA 1.488 63.769 62.300 -0.031 0.000 1.061 1428 V CB -0.378 31.427 31.823 -0.030 0.000 0.656 1428 V HN 0.279 nan 8.190 nan 0.000 0.455 1429 I N -1.250 119.311 120.570 -0.016 0.000 2.617 1429 I HA -0.130 4.040 4.170 -0.000 0.000 0.256 1429 I C 1.965 178.075 176.117 -0.012 0.000 1.167 1429 I CA 1.121 62.415 61.300 -0.009 0.000 1.469 1429 I CB -0.149 37.853 38.000 0.004 0.000 1.098 1429 I HN 0.257 nan 8.210 nan 0.000 0.436 1430 L N 0.400 121.613 121.223 -0.018 0.000 2.477 1430 L HA 0.224 4.564 4.340 -0.000 0.000 0.220 1430 L C 1.397 178.251 176.870 -0.026 0.000 1.106 1430 L CA 0.526 55.353 54.840 -0.022 0.000 0.851 1430 L CB -0.128 41.915 42.059 -0.027 0.000 0.994 1430 L HN 0.450 nan 8.230 nan 0.000 0.462 1431 G N 0.544 109.326 108.800 -0.030 0.000 2.171 1431 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.238 1431 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.238 1431 G C -0.060 174.817 174.900 -0.038 0.000 1.039 1431 G CA -0.182 44.897 45.100 -0.035 0.000 0.759 1431 G HN 0.421 nan 8.290 nan 0.000 0.501 1432 Q N -0.998 118.778 119.800 -0.040 0.000 2.359 1432 Q HA 0.655 4.995 4.340 -0.000 0.000 0.275 1432 Q C 0.336 176.305 176.000 -0.051 0.000 1.082 1432 Q CA -1.152 54.625 55.803 -0.043 0.000 0.849 1432 Q CB 1.633 30.347 28.738 -0.040 0.000 1.377 1432 Q HN 0.374 nan 8.270 nan 0.000 0.452 1433 M N 1.886 121.451 119.600 -0.058 0.000 2.220 1433 M HA 0.307 4.786 4.480 -0.000 0.000 0.343 1433 M C -0.660 175.595 176.300 -0.076 0.000 1.470 1433 M CA -0.134 55.123 55.300 -0.072 0.000 1.161 1433 M CB 0.241 32.791 32.600 -0.084 0.000 1.737 1433 M HN 0.761 nan 8.290 nan 0.000 0.464 1434 A N 7.027 129.802 122.820 -0.074 0.000 2.462 1434 A HA 0.418 4.738 4.320 -0.000 0.000 0.243 1434 A C -2.405 175.126 177.584 -0.090 0.000 1.076 1434 A CA -1.242 50.752 52.037 -0.071 0.000 0.773 1434 A CB -0.514 18.448 19.000 -0.063 0.000 1.010 1434 A HN 0.664 nan 8.150 nan 0.000 0.493 1435 P HA 0.252 nan 4.420 nan 0.000 0.259 1435 P C -0.947 176.296 177.300 -0.096 0.000 1.635 1435 P CA 0.916 63.966 63.100 -0.084 0.000 1.199 1435 P CB -0.279 31.400 31.700 -0.034 0.000 1.850 1436 I N 1.214 121.707 120.570 -0.128 0.000 2.610 1436 I HA 0.298 4.467 4.170 -0.000 0.000 0.289 1436 I C 1.200 177.236 176.117 -0.135 0.000 1.163 1436 I CA -0.467 60.757 61.300 -0.126 0.000 1.044 1436 I CB 2.008 39.944 38.000 -0.107 0.000 1.251 1436 I HN 0.442 nan 8.210 nan 0.000 0.424 1437 G N 4.454 113.181 108.800 -0.122 0.000 2.700 1437 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.350 1437 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.350 1437 G C 0.978 175.830 174.900 -0.080 0.000 1.250 1437 G CA 1.370 46.424 45.100 -0.077 0.000 0.978 1437 G HN 0.569 nan 8.290 nan 0.000 0.551 1438 T N 1.110 115.619 114.554 -0.076 0.000 2.795 1438 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 1438 T C 1.929 176.349 174.700 -0.467 0.000 1.056 1438 T CA 2.433 64.450 62.100 -0.138 0.000 1.141 1438 T CB -0.480 68.334 68.868 -0.091 0.000 0.840 1438 T HN 1.451 nan 8.240 nan 0.000 0.493 1439 G N -0.466 108.101 108.800 -0.388 0.000 3.707 1439 G HA2 0.488 4.448 3.960 -0.000 0.000 0.286 1439 G HA3 0.488 4.448 3.960 -0.000 0.000 0.286 1439 G C 0.705 175.364 174.900 -0.402 0.000 1.112 1439 G CA 0.246 45.083 45.100 -0.439 0.000 0.861 1439 G HN 0.500 nan 8.290 nan 0.000 0.534 1440 A N 0.384 122.942 122.820 -0.436 0.000 2.532 1440 A HA 0.686 5.006 4.320 -0.000 0.000 0.273 1440 A C 0.077 177.718 177.584 0.095 0.000 1.342 1440 A CA -0.291 51.663 52.037 -0.139 0.000 0.929 1440 A CB -0.716 18.227 19.000 -0.094 0.000 1.051 1440 A HN 0.788 nan 8.150 nan 0.000 0.521 1441 F N -4.164 115.837 119.950 0.086 0.000 2.978 1441 F HA 0.653 5.180 4.527 -0.000 0.000 0.324 1441 F C -1.729 174.122 175.800 0.084 0.000 1.157 1441 F CA -1.656 56.430 58.000 0.144 0.000 0.879 1441 F CB 0.365 39.512 39.000 0.246 0.000 1.364 1441 F HN -0.162 nan 8.300 nan 0.000 0.465 1442 D N 0.621 121.258 120.400 0.395 0.000 2.527 1442 D HA 0.670 5.310 4.640 -0.000 0.000 0.233 1442 D C -1.305 175.175 176.300 0.301 0.000 1.063 1442 D CA -0.260 53.880 54.000 0.234 0.000 0.880 1442 D CB 2.891 43.766 40.800 0.126 0.000 1.457 1442 D HN 0.629 nan 8.370 nan 0.000 0.475 1443 V N 0.068 120.105 119.914 0.203 0.000 2.448 1443 V HA 0.681 4.801 4.120 -0.000 0.000 0.295 1443 V C -0.157 175.997 176.094 0.100 0.000 1.025 1443 V CA -0.709 61.691 62.300 0.167 0.000 0.859 1443 V CB 1.402 33.326 31.823 0.168 0.000 0.988 1443 V HN 0.439 nan 8.190 nan 0.000 0.431 1444 M N 4.550 124.199 119.600 0.081 0.000 2.530 1444 M HA 0.653 5.133 4.480 -0.000 0.000 0.307 1444 M C -1.104 175.228 176.300 0.054 0.000 1.161 1444 M CA -0.578 54.758 55.300 0.059 0.000 0.903 1444 M CB 2.476 35.106 32.600 0.050 0.000 1.711 1444 M HN 0.622 nan 8.290 nan 0.000 0.451 1445 I N 0.735 121.334 120.570 0.048 0.000 2.363 1445 I HA 0.209 4.379 4.170 -0.000 0.000 0.292 1445 I C -0.055 176.086 176.117 0.040 0.000 1.075 1445 I CA -0.250 61.080 61.300 0.049 0.000 1.333 1445 I CB -0.316 37.711 38.000 0.044 0.000 1.415 1445 I HN 0.444 nan 8.210 nan 0.000 0.502 1446 D N 5.658 126.083 120.400 0.042 0.000 2.402 1446 D HA -0.015 4.625 4.640 -0.000 0.000 0.235 1446 D C 1.222 177.529 176.300 0.011 0.000 1.226 1446 D CA 0.059 54.073 54.000 0.022 0.000 0.918 1446 D CB 0.587 41.398 40.800 0.018 0.000 1.043 1446 D HN 0.623 nan 8.370 nan 0.000 0.506 1447 E N 3.369 123.574 120.200 0.007 0.000 2.187 1447 E HA -0.269 4.081 4.350 -0.000 0.000 0.199 1447 E C 1.069 177.655 176.600 -0.024 0.000 1.004 1447 E CA 1.054 57.455 56.400 0.000 0.000 0.813 1447 E CB 0.292 29.992 29.700 0.000 0.000 0.736 1447 E HN 0.721 nan 8.360 nan 0.000 0.468 1448 E N 0.105 120.284 120.200 -0.035 0.000 2.000 1448 E HA -0.182 4.167 4.350 -0.000 0.000 0.199 1448 E C 2.112 178.640 176.600 -0.120 0.000 1.011 1448 E CA 2.042 58.405 56.400 -0.063 0.000 0.836 1448 E CB -0.091 29.575 29.700 -0.056 0.000 0.778 1448 E HN 0.327 nan 8.360 nan 0.000 0.462 1449 S N 0.888 116.496 115.700 -0.154 0.000 2.440 1449 S HA -0.192 4.278 4.470 -0.000 0.000 0.238 1449 S C 1.831 176.194 174.600 -0.396 0.000 1.010 1449 S CA 0.883 58.872 58.200 -0.350 0.000 0.972 1449 S CB -0.318 62.715 63.200 -0.278 0.000 0.774 1449 S HN 0.316 nan 8.310 nan 0.000 0.501 1450 L N 1.247 122.408 121.223 -0.104 0.000 2.749 1450 L HA 0.249 4.589 4.340 -0.000 0.000 0.245 1450 L C 1.316 178.186 176.870 -0.001 0.000 1.156 1450 L CA 0.542 55.399 54.840 0.030 0.000 0.890 1450 L CB -0.334 41.758 42.059 0.056 0.000 1.036 1450 L HN 0.236 nan 8.230 nan 0.000 0.441 1451 V N -2.034 117.824 119.914 -0.094 0.000 3.137 1451 V HA 0.026 4.146 4.120 -0.000 0.000 0.236 1451 V C 2.055 178.098 176.094 -0.084 0.000 1.260 1451 V CA 0.230 62.497 62.300 -0.055 0.000 1.244 1451 V CB 0.023 31.815 31.823 -0.051 0.000 1.016 1451 V HN 0.237 nan 8.190 nan 0.000 0.477 1452 K N 0.123 120.398 120.400 -0.209 0.000 2.442 1452 K HA -0.100 4.219 4.320 -0.000 0.000 0.199 1452 K C -0.035 176.506 176.600 -0.098 0.000 1.044 1452 K CA 1.143 57.308 56.287 -0.204 0.000 0.941 1452 K CB -0.180 32.127 32.500 -0.322 0.000 0.759 1452 K HN 0.524 nan 8.250 nan 0.000 0.472 1453 Y N 1.892 122.194 120.300 0.003 0.000 2.751 1453 Y HA 0.206 4.756 4.550 -0.000 0.000 0.333 1453 Y C 0.048 175.950 175.900 0.004 0.000 1.122 1453 Y CA -0.976 57.126 58.100 0.004 0.000 1.367 1453 Y CB -0.078 38.385 38.460 0.005 0.000 1.242 1453 Y HN 0.010 nan 8.280 nan 0.000 0.505 1454 M N 2.083 121.767 119.600 0.141 0.000 2.561 1454 M HA 0.308 4.788 4.480 -0.000 0.000 0.166 1454 M C -3.255 173.076 176.300 0.053 0.000 0.894 1454 M CA -1.223 54.125 55.300 0.080 0.000 0.719 1454 M CB 0.195 32.832 32.600 0.061 0.000 2.677 1454 M HN 0.159 nan 8.290 nan 0.000 0.376 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.118 63.100 0.030 0.000 0.800 1455 P CB 0.000 31.716 31.700 0.026 0.000 0.726