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 2ja5_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 LHFSLXXXXX 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 0.000 176.094 176.094 -0.000 0.000 1.182 2 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 2 V CB 0.000 31.820 31.823 -0.004 0.000 1.184 3 G N 3.758 112.556 108.800 -0.002 0.000 2.490 3 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.214 3 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.214 3 G C 0.208 175.108 174.900 0.000 0.000 1.151 3 G CA 0.962 46.062 45.100 -0.000 0.000 0.684 3 G HN 1.944 nan 8.290 nan 0.000 0.518 4 Q N -0.726 119.077 119.800 0.004 0.000 3.117 4 Q HA -0.043 4.297 4.340 -0.000 0.000 0.025 4 Q C -0.247 175.767 176.000 0.022 0.000 1.677 4 Q CA 0.691 56.497 55.803 0.006 0.000 0.231 4 Q CB -0.910 27.822 28.738 -0.010 0.000 1.698 4 Q HN 1.485 nan 8.270 nan 0.000 0.319 5 Q N -0.186 119.636 119.800 0.036 0.000 2.476 5 Q HA -0.180 4.160 4.340 -0.000 0.000 0.256 5 Q C -1.246 174.818 176.000 0.106 0.000 1.269 5 Q CA 0.405 56.243 55.803 0.058 0.000 0.627 5 Q CB -0.492 28.263 28.738 0.028 0.000 0.751 5 Q HN 0.516 nan 8.270 nan 0.000 0.317 6 Y N 2.591 122.884 120.300 -0.013 0.000 2.702 6 Y HA 0.180 4.730 4.550 -0.000 0.000 0.336 6 Y C 0.101 175.998 175.900 -0.006 0.000 1.235 6 Y CA 0.772 58.867 58.100 -0.009 0.000 1.492 6 Y CB 0.715 39.170 38.460 -0.009 0.000 1.308 6 Y HN 0.409 nan 8.280 nan 0.000 0.589 7 S N 2.770 118.230 115.700 -0.399 0.000 2.605 7 S HA 0.317 4.787 4.470 -0.000 0.000 0.308 7 S C 0.274 174.448 174.600 -0.709 0.000 1.113 7 S CA -0.241 57.674 58.200 -0.475 0.000 1.049 7 S CB 1.026 64.120 63.200 -0.176 0.000 1.001 7 S HN 0.841 nan 8.310 nan 0.000 0.480 8 S N 2.082 117.377 115.700 -0.675 0.000 2.641 8 S HA 0.215 4.685 4.470 -0.000 0.000 0.239 8 S C 0.801 175.291 174.600 -0.183 0.000 0.972 8 S CA -0.012 57.928 58.200 -0.433 0.000 0.954 8 S CB -0.749 62.296 63.200 -0.258 0.000 0.767 8 S HN 1.237 nan 8.310 nan 0.000 0.539 9 A N 3.396 126.120 122.820 -0.160 0.000 2.301 9 A HA 0.611 4.931 4.320 -0.000 0.000 0.298 9 A C -1.562 176.003 177.584 -0.031 0.000 1.185 9 A CA -1.830 50.163 52.037 -0.073 0.000 0.830 9 A CB 0.055 19.017 19.000 -0.063 0.000 1.112 9 A HN 0.410 nan 8.150 nan 0.000 0.508 10 P HA 0.224 nan 4.420 nan 0.000 0.268 10 P C -0.752 176.552 177.300 0.007 0.000 1.208 10 P CA -0.011 63.095 63.100 0.010 0.000 0.777 10 P CB 0.665 32.368 31.700 0.007 0.000 0.875 11 L N 2.020 123.253 121.223 0.016 0.000 2.341 11 L HA 0.627 4.966 4.340 -0.000 0.000 0.278 11 L C -0.249 176.623 176.870 0.003 0.000 1.005 11 L CA -0.509 54.337 54.840 0.009 0.000 0.818 11 L CB 1.647 43.718 42.059 0.019 0.000 1.259 11 L HN 0.329 nan 8.230 nan 0.000 0.418 12 R N 1.516 122.013 120.500 -0.005 0.000 2.885 12 R HA 0.654 4.994 4.340 -0.000 0.000 0.260 12 R C -0.905 175.386 176.300 -0.015 0.000 1.107 12 R CA -0.492 55.602 56.100 -0.009 0.000 0.978 12 R CB 2.126 32.419 30.300 -0.012 0.000 1.227 12 R HN 0.797 nan 8.270 nan 0.000 0.473 13 T N -2.073 112.470 114.554 -0.019 0.000 2.945 13 T HA 0.458 4.808 4.350 -0.000 0.000 0.286 13 T C 0.139 174.819 174.700 -0.033 0.000 1.025 13 T CA -0.728 61.357 62.100 -0.025 0.000 1.039 13 T CB 1.473 70.326 68.868 -0.024 0.000 1.068 13 T HN 0.132 nan 8.240 nan 0.000 0.497 14 V N 3.101 122.990 119.914 -0.042 0.000 2.614 14 V HA 0.245 4.365 4.120 -0.000 0.000 0.291 14 V C 1.063 177.125 176.094 -0.054 0.000 1.049 14 V CA -0.217 62.049 62.300 -0.055 0.000 1.038 14 V CB 0.997 32.779 31.823 -0.068 0.000 0.980 14 V HN 0.918 nan 8.190 nan 0.000 0.481 15 K N 2.589 122.954 120.400 -0.059 0.000 2.387 15 K HA 0.318 4.638 4.320 -0.000 0.000 0.197 15 K C 0.134 176.695 176.600 -0.065 0.000 1.127 15 K CA 0.326 56.583 56.287 -0.051 0.000 0.950 15 K CB 1.018 33.496 32.500 -0.038 0.000 1.017 15 K HN 0.738 nan 8.250 nan 0.000 0.519 16 E N 0.673 120.819 120.200 -0.090 0.000 2.393 16 E HA 0.399 4.749 4.350 -0.000 0.000 0.273 16 E C -1.294 175.190 176.600 -0.193 0.000 0.918 16 E CA -0.822 55.506 56.400 -0.119 0.000 0.773 16 E CB 3.072 32.713 29.700 -0.098 0.000 1.275 16 E HN -0.275 nan 8.360 nan 0.000 0.451 17 V N 2.313 122.060 119.914 -0.278 0.000 2.349 17 V HA 0.170 4.290 4.120 -0.000 0.000 0.284 17 V C -0.593 175.141 176.094 -0.600 0.000 1.014 17 V CA -0.802 61.216 62.300 -0.470 0.000 0.826 17 V CB 1.370 32.838 31.823 -0.592 0.000 1.009 17 V HN 0.555 nan 8.190 nan 0.000 0.431 18 Q N 4.098 123.581 119.800 -0.529 0.000 2.377 18 Q HA 0.424 4.764 4.340 -0.000 0.000 0.249 18 Q C -0.714 174.964 176.000 -0.536 0.000 1.005 18 Q CA -0.052 55.448 55.803 -0.506 0.000 0.912 18 Q CB 0.889 29.272 28.738 -0.592 0.000 1.223 18 Q HN 0.626 nan 8.270 nan 0.000 0.459 19 F N 0.889 120.714 119.950 -0.209 0.000 2.412 19 F HA 0.505 5.032 4.527 -0.000 0.000 0.348 19 F C 1.272 176.961 175.800 -0.185 0.000 1.102 19 F CA 0.026 57.921 58.000 -0.176 0.000 1.196 19 F CB 1.324 40.273 39.000 -0.085 0.000 1.144 19 F HN 0.513 nan 8.300 nan 0.000 0.541 20 G N 3.084 111.896 108.800 0.021 0.000 2.782 20 G HA2 0.722 4.682 3.960 -0.000 0.000 0.304 20 G HA3 0.722 4.682 3.960 -0.000 0.000 0.304 20 G C -1.933 172.921 174.900 -0.077 0.000 1.315 20 G CA -0.896 44.176 45.100 -0.047 0.000 0.791 20 G HN 0.472 nan 8.290 nan 0.000 0.519 21 L N -0.130 121.010 121.223 -0.139 0.000 2.401 21 L HA 0.498 4.838 4.340 -0.000 0.000 0.266 21 L C -0.921 175.704 176.870 -0.409 0.000 0.991 21 L CA -0.670 54.091 54.840 -0.133 0.000 0.818 21 L CB 2.652 44.778 42.059 0.112 0.000 1.321 21 L HN 0.446 nan 8.230 nan 0.000 0.413 22 F N 1.332 121.093 119.950 -0.315 0.000 2.504 22 F HA 0.101 4.628 4.527 -0.000 0.000 0.369 22 F C 1.026 176.461 175.800 -0.609 0.000 1.082 22 F CA -0.089 57.672 58.000 -0.398 0.000 1.216 22 F CB 1.235 40.100 39.000 -0.224 0.000 1.108 22 F HN 0.494 nan 8.300 nan 0.000 0.554 23 S N 6.097 121.504 115.700 -0.489 0.000 2.475 23 S HA 0.238 4.708 4.470 -0.000 0.000 0.281 23 S C -1.545 173.119 174.600 0.106 0.000 1.198 23 S CA -1.443 56.515 58.200 -0.403 0.000 1.063 23 S CB 1.394 64.525 63.200 -0.116 0.000 0.972 23 S HN 0.445 nan 8.310 nan 0.000 0.486 24 P HA -0.260 nan 4.420 nan 0.000 0.220 24 P C 0.883 178.261 177.300 0.130 0.000 1.155 24 P CA 1.722 64.923 63.100 0.168 0.000 0.880 24 P CB 0.102 31.924 31.700 0.203 0.000 0.790 25 E N -0.040 120.264 120.200 0.173 0.000 2.085 25 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 25 E C 2.261 178.909 176.600 0.080 0.000 0.994 25 E CA 1.435 57.912 56.400 0.128 0.000 0.801 25 E CB -0.692 29.104 29.700 0.159 0.000 0.743 25 E HN 0.503 nan 8.360 nan 0.000 0.453 26 E N 0.462 120.716 120.200 0.090 0.000 2.007 26 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 26 E C 2.037 178.628 176.600 -0.014 0.000 0.999 26 E CA 1.566 58.012 56.400 0.077 0.000 0.811 26 E CB -0.060 29.737 29.700 0.161 0.000 0.762 26 E HN 0.049 nan 8.360 nan 0.000 0.450 27 V N 1.542 121.389 119.914 -0.111 0.000 2.311 27 V HA -0.401 3.719 4.120 -0.000 0.000 0.259 27 V C 2.533 178.514 176.094 -0.188 0.000 1.086 27 V CA 2.557 64.662 62.300 -0.325 0.000 1.078 27 V CB -0.753 30.903 31.823 -0.278 0.000 0.668 27 V HN 0.325 nan 8.190 nan 0.000 0.452 28 R N -0.227 120.211 120.500 -0.103 0.000 2.070 28 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 28 R C 2.544 178.727 176.300 -0.195 0.000 1.138 28 R CA 1.492 57.480 56.100 -0.187 0.000 0.936 28 R CB -0.819 29.450 30.300 -0.051 0.000 0.839 28 R HN 0.538 nan 8.270 nan 0.000 0.429 29 A N 1.696 124.465 122.820 -0.085 0.000 1.903 29 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 29 A C 2.230 179.778 177.584 -0.060 0.000 1.191 29 A CA 1.661 53.666 52.037 -0.053 0.000 0.638 29 A CB -0.771 18.226 19.000 -0.005 0.000 0.823 29 A HN 0.241 nan 8.150 nan 0.000 0.451 30 I N -0.421 120.114 120.570 -0.058 0.000 2.127 30 I HA -0.172 3.998 4.170 -0.000 0.000 0.241 30 I C 1.709 177.807 176.117 -0.032 0.000 1.075 30 I CA 0.931 62.211 61.300 -0.034 0.000 1.334 30 I CB -0.564 37.405 38.000 -0.052 0.000 1.040 30 I HN 0.361 nan 8.210 nan 0.000 0.405 31 S N 0.230 115.873 115.700 -0.095 0.000 2.550 31 S HA -0.008 4.461 4.470 -0.000 0.000 0.285 31 S C 0.597 175.161 174.600 -0.061 0.000 1.326 31 S CA 0.288 58.440 58.200 -0.079 0.000 1.037 31 S CB 0.854 63.890 63.200 -0.274 0.000 0.838 31 S HN 0.270 nan 8.310 nan 0.000 0.519 32 V N 1.242 121.162 119.914 0.010 0.000 3.199 32 V HA 0.789 4.908 4.120 -0.000 0.000 0.331 32 V C -0.073 176.039 176.094 0.030 0.000 1.446 32 V CA 0.243 62.547 62.300 0.006 0.000 1.120 32 V CB -0.199 31.628 31.823 0.006 0.000 1.051 32 V HN 0.976 nan 8.190 nan 0.000 0.495 33 A N 0.316 123.181 122.820 0.076 0.000 2.429 33 A HA 0.803 5.123 4.320 -0.000 0.000 0.289 33 A C 0.398 178.133 177.584 0.251 0.000 1.043 33 A CA -0.505 51.605 52.037 0.122 0.000 0.722 33 A CB 1.845 20.902 19.000 0.096 0.000 1.243 33 A HN 0.044 nan 8.150 nan 0.000 0.415 34 K N 1.323 121.846 120.400 0.203 0.000 2.002 34 K HA 0.084 4.404 4.320 -0.000 0.000 0.209 34 K C 0.530 177.178 176.600 0.081 0.000 1.048 34 K CA 1.480 57.899 56.287 0.221 0.000 0.930 34 K CB -0.484 32.106 32.500 0.151 0.000 0.714 34 K HN 0.934 nan 8.250 nan 0.000 0.438 35 I N 0.666 121.294 120.570 0.098 0.000 7.141 35 I HA -0.357 3.813 4.170 -0.000 0.000 0.126 35 I C 0.542 176.694 176.117 0.059 0.000 1.833 35 I CA 0.090 61.434 61.300 0.073 0.000 2.047 35 I CB -0.532 37.483 38.000 0.026 0.000 3.597 35 I HN 0.228 nan 8.210 nan 0.000 0.172 36 R N 1.996 122.600 120.500 0.172 0.000 2.142 36 R HA 0.243 4.583 4.340 -0.000 0.000 0.204 36 R C 0.380 176.688 176.300 0.014 0.000 1.059 36 R CA 0.668 56.801 56.100 0.055 0.000 1.055 36 R CB 0.199 30.496 30.300 -0.004 0.000 0.976 36 R HN 0.230 nan 8.270 nan 0.000 0.483 37 F N 1.906 121.841 119.950 -0.024 0.000 2.389 37 F HA 0.215 4.742 4.527 -0.000 0.000 0.337 37 F C -1.261 174.526 175.800 -0.022 0.000 1.112 37 F CA -2.613 55.375 58.000 -0.020 0.000 1.192 37 F CB 0.420 39.412 39.000 -0.014 0.000 1.185 37 F HN -0.087 nan 8.300 nan 0.000 0.552 38 P HA 0.058 nan 4.420 nan 0.000 0.259 38 P C -0.330 177.017 177.300 0.078 0.000 1.233 38 P CA 0.394 63.539 63.100 0.075 0.000 0.827 38 P CB 0.469 32.185 31.700 0.027 0.000 1.154 39 E N -0.235 120.030 120.200 0.108 0.000 2.435 39 E HA 0.115 4.465 4.350 -0.000 0.000 0.254 39 E C 0.741 177.375 176.600 0.057 0.000 1.289 39 E CA 0.222 56.667 56.400 0.075 0.000 0.983 39 E CB 0.241 29.991 29.700 0.083 0.000 1.010 39 E HN -0.088 nan 8.360 nan 0.000 0.509 40 T N -0.481 114.098 114.554 0.041 0.000 3.082 40 T HA 0.114 4.464 4.350 -0.000 0.000 0.235 40 T C 1.113 175.808 174.700 -0.008 0.000 0.991 40 T CA 0.765 62.881 62.100 0.026 0.000 1.220 40 T CB 0.208 69.102 68.868 0.042 0.000 0.909 40 T HN 0.371 nan 8.240 nan 0.000 0.424 41 M N -0.383 119.211 119.600 -0.011 0.000 2.036 41 M HA 0.330 4.810 4.480 -0.000 0.000 0.402 41 M C -1.220 175.061 176.300 -0.032 0.000 2.195 41 M CA -0.671 54.610 55.300 -0.032 0.000 1.457 41 M CB 0.290 32.874 32.600 -0.026 0.000 2.935 41 M HN -0.253 nan 8.290 nan 0.000 0.901 42 D N 3.655 124.042 120.400 -0.022 0.000 3.651 42 D HA -0.132 4.508 4.640 -0.000 0.000 0.191 42 D C -0.691 175.595 176.300 -0.024 0.000 1.196 42 D CA 0.853 54.843 54.000 -0.017 0.000 0.897 42 D CB -0.386 40.412 40.800 -0.003 0.000 0.872 42 D HN 0.470 nan 8.370 nan 0.000 0.441 43 E N 0.683 120.862 120.200 -0.034 0.000 3.187 43 E HA 0.056 4.406 4.350 -0.000 0.000 0.297 43 E C 0.098 176.685 176.600 -0.021 0.000 1.515 43 E CA -0.003 56.373 56.400 -0.041 0.000 1.641 43 E CB -0.216 29.456 29.700 -0.048 0.000 1.314 43 E HN 0.326 nan 8.360 nan 0.000 0.462 44 T N 0.589 115.137 114.554 -0.010 0.000 4.460 44 T HA -0.171 4.179 4.350 -0.000 0.000 0.338 44 T C 0.504 175.203 174.700 -0.002 0.000 0.761 44 T CA 0.482 62.581 62.100 -0.001 0.000 2.009 44 T CB -1.565 67.303 68.868 -0.000 0.000 1.894 44 T HN 0.632 nan 8.240 nan 0.000 0.982 45 Q N -2.208 117.592 119.800 -0.001 0.000 2.608 45 Q HA -0.188 4.152 4.340 -0.000 0.000 0.154 45 Q C 0.299 176.296 176.000 -0.005 0.000 1.090 45 Q CA 1.930 57.733 55.803 -0.000 0.000 1.183 45 Q CB -1.809 26.931 28.738 0.003 0.000 1.087 45 Q HN 0.741 nan 8.270 nan 0.000 1.015 46 T N 2.793 117.342 114.554 -0.009 0.000 2.822 46 T HA 0.090 4.440 4.350 -0.000 0.000 0.288 46 T C 0.251 174.941 174.700 -0.016 0.000 0.991 46 T CA 0.341 62.434 62.100 -0.012 0.000 1.176 46 T CB 0.196 69.055 68.868 -0.015 0.000 0.951 46 T HN 0.110 nan 8.240 nan 0.000 0.526 47 R N 2.182 122.674 120.500 -0.015 0.000 2.491 47 R HA 0.548 4.888 4.340 -0.000 0.000 0.283 47 R C 0.527 176.813 176.300 -0.024 0.000 1.072 47 R CA -0.139 55.951 56.100 -0.018 0.000 1.048 47 R CB 0.558 30.849 30.300 -0.015 0.000 0.983 47 R HN 0.827 nan 8.270 nan 0.000 0.450 48 A N 2.469 125.271 122.820 -0.030 0.000 5.501 48 A HA 0.280 4.600 4.320 -0.000 0.000 0.138 48 A C -1.523 176.036 177.584 -0.042 0.000 1.060 48 A CA -0.797 51.218 52.037 -0.036 0.000 1.240 48 A CB 0.708 19.685 19.000 -0.039 0.000 2.117 48 A HN 0.520 nan 8.150 nan 0.000 1.016 49 K N 0.238 120.606 120.400 -0.053 0.000 2.565 49 K HA 0.609 4.929 4.320 -0.000 0.000 0.251 49 K C -1.397 175.146 176.600 -0.094 0.000 0.956 49 K CA -0.379 55.871 56.287 -0.063 0.000 0.809 49 K CB 2.173 34.642 32.500 -0.053 0.000 1.267 49 K HN 0.551 nan 8.250 nan 0.000 0.438 50 I N 0.971 121.465 120.570 -0.127 0.000 2.720 50 I HA 0.068 4.238 4.170 -0.000 0.000 0.287 50 I C 1.530 177.503 176.117 -0.240 0.000 1.090 50 I CA -0.013 61.154 61.300 -0.221 0.000 1.384 50 I CB 0.975 38.780 38.000 -0.324 0.000 1.420 50 I HN 0.897 nan 8.210 nan 0.000 0.575 51 G N 3.735 112.360 108.800 -0.292 0.000 3.302 51 G HA2 0.113 4.073 3.960 -0.000 0.000 0.220 51 G HA3 0.113 4.073 3.960 -0.000 0.000 0.220 51 G C 0.830 175.589 174.900 -0.236 0.000 1.297 51 G CA 0.448 45.423 45.100 -0.209 0.000 1.213 51 G HN 0.937 nan 8.290 nan 0.000 0.508 52 G N -0.252 108.381 108.800 -0.278 0.000 2.651 52 G HA2 0.402 4.362 3.960 -0.000 0.000 0.226 52 G HA3 0.402 4.362 3.960 -0.000 0.000 0.226 52 G C 0.469 175.402 174.900 0.055 0.000 1.542 52 G CA -0.157 44.908 45.100 -0.060 0.000 0.868 52 G HN 0.382 nan 8.290 nan 0.000 0.588 53 L N 0.250 121.489 121.223 0.027 0.000 2.491 53 L HA 0.370 4.710 4.340 -0.000 0.000 0.264 53 L C -0.145 176.722 176.870 -0.005 0.000 1.053 53 L CA -0.719 54.136 54.840 0.024 0.000 0.858 53 L CB 0.955 43.034 42.059 0.033 0.000 1.519 53 L HN 0.674 nan 8.230 nan 0.000 0.508 54 N N 0.935 119.629 118.700 -0.009 0.000 1.982 54 N HA -0.244 4.496 4.740 -0.000 0.000 0.354 54 N C -0.558 174.937 175.510 -0.026 0.000 1.170 54 N CA 1.153 54.190 53.050 -0.022 0.000 0.800 54 N CB -0.588 37.882 38.487 -0.028 0.000 1.027 54 N HN 0.726 nan 8.380 nan 0.000 0.549 55 D N -0.149 120.239 120.400 -0.020 0.000 2.813 55 D HA -0.073 4.567 4.640 -0.000 0.000 0.241 55 D C -2.277 174.005 176.300 -0.031 0.000 1.071 55 D CA 0.331 54.318 54.000 -0.022 0.000 0.747 55 D CB -0.668 40.115 40.800 -0.028 0.000 1.077 55 D HN 0.579 nan 8.370 nan 0.000 0.436 56 P HA 0.306 nan 4.420 nan 0.000 0.256 56 P C 0.288 177.578 177.300 -0.017 0.000 1.384 56 P CA 0.256 63.340 63.100 -0.025 0.000 0.879 56 P CB 0.445 32.148 31.700 0.005 0.000 1.403 57 R N -4.686 115.802 120.500 -0.021 0.000 2.316 57 R HA 0.008 4.348 4.340 -0.000 0.000 0.064 57 R C 0.278 176.555 176.300 -0.039 0.000 0.566 57 R CA -0.101 55.979 56.100 -0.034 0.000 1.578 57 R CB -1.078 29.204 30.300 -0.030 0.000 0.860 57 R HN 0.059 nan 8.270 nan 0.000 0.567 58 L N 1.043 122.263 121.223 -0.004 0.000 2.475 58 L HA 0.528 4.868 4.340 -0.000 0.000 0.212 58 L C 1.305 178.205 176.870 0.049 0.000 1.204 58 L CA 1.005 55.868 54.840 0.039 0.000 0.843 58 L CB -0.311 41.770 42.059 0.037 0.000 1.360 58 L HN 0.166 nan 8.230 nan 0.000 0.527 59 G N -0.067 108.803 108.800 0.116 0.000 2.608 59 G HA2 0.330 4.290 3.960 -0.000 0.000 0.291 59 G HA3 0.330 4.290 3.960 -0.000 0.000 0.291 59 G C -0.289 174.627 174.900 0.028 0.000 1.306 59 G CA 0.342 45.502 45.100 0.100 0.000 1.085 59 G HN 1.126 nan 8.290 nan 0.000 0.619 60 S N -2.022 113.686 115.700 0.015 0.000 2.998 60 S HA 0.806 5.276 4.470 -0.000 0.000 0.323 60 S C -0.107 174.482 174.600 -0.019 0.000 1.141 60 S CA -0.555 57.641 58.200 -0.007 0.000 0.873 60 S CB 1.328 64.524 63.200 -0.008 0.000 1.315 60 S HN 0.644 nan 8.310 nan 0.000 0.637 61 I N -1.380 119.176 120.570 -0.024 0.000 3.916 61 I HA 0.399 4.568 4.170 -0.000 0.000 0.277 61 I C -0.511 175.589 176.117 -0.028 0.000 1.112 61 I CA -0.815 60.465 61.300 -0.032 0.000 1.349 61 I CB 0.104 38.078 38.000 -0.043 0.000 1.205 61 I HN 0.707 nan 8.210 nan 0.000 0.400 62 D N 2.047 122.427 120.400 -0.033 0.000 2.859 62 D HA -0.221 4.419 4.640 -0.000 0.000 0.225 62 D C -0.143 176.144 176.300 -0.021 0.000 1.168 62 D CA 1.089 55.072 54.000 -0.028 0.000 0.665 62 D CB -0.327 40.457 40.800 -0.027 0.000 1.059 62 D HN 0.488 nan 8.370 nan 0.000 0.418 63 R N -0.862 119.626 120.500 -0.020 0.000 3.188 63 R HA -0.194 4.146 4.340 -0.000 0.000 0.247 63 R C -0.757 175.535 176.300 -0.013 0.000 0.918 63 R CA 0.650 56.742 56.100 -0.015 0.000 0.629 63 R CB -1.623 28.669 30.300 -0.013 0.000 1.087 63 R HN 0.245 nan 8.270 nan 0.000 0.462 64 N N 1.234 119.926 118.700 -0.013 0.000 2.519 64 N HA 0.192 4.932 4.740 -0.000 0.000 0.286 64 N C 1.360 176.863 175.510 -0.011 0.000 1.079 64 N CA -0.586 52.456 53.050 -0.013 0.000 0.878 64 N CB 1.247 39.724 38.487 -0.016 0.000 1.375 64 N HN 0.020 nan 8.380 nan 0.000 0.514 65 L N 1.447 122.665 121.223 -0.009 0.000 2.199 65 L HA -0.338 4.002 4.340 -0.000 0.000 0.248 65 L C 0.568 177.433 176.870 -0.008 0.000 1.116 65 L CA 1.652 56.488 54.840 -0.007 0.000 0.843 65 L CB -0.729 41.325 42.059 -0.009 0.000 0.961 65 L HN 0.529 nan 8.230 nan 0.000 0.441 66 K N -0.342 120.049 120.400 -0.014 0.000 2.382 66 K HA -0.238 4.082 4.320 -0.000 0.000 0.244 66 K C -0.216 176.372 176.600 -0.020 0.000 1.068 66 K CA 0.511 56.785 56.287 -0.022 0.000 1.150 66 K CB -0.443 32.042 32.500 -0.025 0.000 0.726 66 K HN 0.447 nan 8.250 nan 0.000 0.486 67 c N 3.597 122.175 118.600 -0.035 0.000 3.208 67 c HA 0.108 4.678 4.570 -0.000 0.000 0.250 67 c C -0.648 173.355 174.090 -0.146 0.000 2.195 67 c CA -0.273 56.028 56.329 -0.048 0.000 1.303 67 c CB -0.882 41.646 42.510 0.029 0.000 2.376 67 c HN 1.036 nan 8.230 nan 0.000 0.545 68 Q N 0.169 119.901 119.800 -0.114 0.000 2.441 68 Q HA -0.161 4.179 4.340 -0.000 0.000 0.300 68 Q C 0.892 176.836 176.000 -0.094 0.000 1.419 68 Q CA 0.793 56.523 55.803 -0.122 0.000 0.751 68 Q CB -1.818 26.801 28.738 -0.198 0.000 1.107 68 Q HN 0.741 nan 8.270 nan 0.000 0.385 69 T N -3.046 111.472 114.554 -0.061 0.000 10.123 69 T HA -0.433 3.917 4.350 -0.000 0.000 0.405 69 T C 1.470 176.147 174.700 -0.038 0.000 1.550 69 T CA 1.873 63.948 62.100 -0.042 0.000 2.509 69 T CB -1.772 67.074 68.868 -0.037 0.000 2.883 69 T HN 0.969 nan 8.240 nan 0.000 1.132 70 C N 3.092 122.359 119.300 -0.055 0.000 2.380 70 C HA -0.166 4.294 4.460 -0.000 0.000 0.302 70 C C 2.081 177.068 174.990 -0.005 0.000 1.361 70 C CA 1.888 60.886 59.018 -0.033 0.000 1.819 70 C CB -2.067 25.638 27.740 -0.058 0.000 1.868 70 C HN 0.926 nan 8.230 nan 0.000 0.547 71 Q N -0.540 119.253 119.800 -0.012 0.000 2.046 71 Q HA -0.433 3.906 4.340 -0.000 0.000 0.437 71 Q C 0.850 176.856 176.000 0.011 0.000 0.778 71 Q CA 2.187 57.989 55.803 -0.003 0.000 0.836 71 Q CB -1.338 27.396 28.738 -0.006 0.000 3.591 71 Q HN 0.518 nan 8.270 nan 0.000 0.849 72 E N -1.351 118.853 120.200 0.007 0.000 5.003 72 E HA -0.287 4.063 4.350 -0.000 0.000 0.166 72 E C 0.857 177.462 176.600 0.009 0.000 1.244 72 E CA 2.846 59.252 56.400 0.010 0.000 2.281 72 E CB -2.086 27.626 29.700 0.019 0.000 1.825 72 E HN 1.859 nan 8.360 nan 0.000 0.420 73 G N 1.180 109.989 108.800 0.014 0.000 2.825 73 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.686 73 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.686 73 G C 0.801 175.706 174.900 0.008 0.000 1.362 73 G CA 1.284 46.389 45.100 0.009 0.000 0.975 73 G HN 0.311 nan 8.290 nan 0.000 0.594 74 M N 0.073 119.677 119.600 0.006 0.000 5.661 74 M HA -0.375 4.105 4.480 -0.000 0.000 0.288 74 M C 1.423 177.722 176.300 -0.001 0.000 0.433 74 M CA 2.556 57.855 55.300 -0.001 0.000 1.080 74 M CB -1.056 31.540 32.600 -0.008 0.000 1.297 74 M HN 0.911 nan 8.290 nan 0.000 0.513 75 N N 1.282 119.980 118.700 -0.003 0.000 2.402 75 N HA 0.109 4.849 4.740 -0.000 0.000 0.259 75 N C 0.140 175.650 175.510 -0.000 0.000 1.167 75 N CA 1.335 54.382 53.050 -0.004 0.000 0.949 75 N CB 1.195 39.678 38.487 -0.006 0.000 1.212 75 N HN 0.554 nan 8.380 nan 0.000 0.493 76 E N 1.812 122.013 120.200 0.001 0.000 2.963 76 E HA -0.157 4.193 4.350 -0.000 0.000 0.157 76 E C -0.904 175.703 176.600 0.011 0.000 0.597 76 E CA 0.099 56.502 56.400 0.005 0.000 2.671 76 E CB -1.402 28.303 29.700 0.008 0.000 2.615 76 E HN 0.447 nan 8.360 nan 0.000 0.738 77 c N 5.455 124.069 118.600 0.024 0.000 2.252 77 c HA 0.590 5.160 4.570 -0.000 0.000 0.342 77 c C -1.571 172.507 174.090 -0.019 0.000 1.110 77 c CA -1.382 54.978 56.329 0.053 0.000 1.581 77 c CB -0.742 41.839 42.510 0.117 0.000 2.087 77 c HN 0.331 nan 8.230 nan 0.000 0.500 78 P HA 0.237 nan 4.420 nan 0.000 0.280 78 P C 0.442 177.589 177.300 -0.256 0.000 1.278 78 P CA 0.297 63.322 63.100 -0.125 0.000 0.787 78 P CB 0.506 32.139 31.700 -0.112 0.000 1.163 79 G N -0.919 107.761 108.800 -0.200 0.000 2.606 79 G HA2 0.197 4.157 3.960 -0.000 0.000 0.252 79 G HA3 0.197 4.157 3.960 -0.000 0.000 0.252 79 G C -0.447 174.213 174.900 -0.401 0.000 1.206 79 G CA -0.296 44.668 45.100 -0.227 0.000 0.861 79 G HN 0.602 nan 8.290 nan 0.000 0.561 80 H N 0.852 119.943 119.070 0.035 0.000 2.675 80 H HA 0.190 4.746 4.556 -0.000 0.000 0.258 80 H C -0.331 175.064 175.328 0.112 0.000 1.271 80 H CA -0.706 55.401 56.048 0.097 0.000 1.462 80 H CB 0.366 30.156 29.762 0.047 0.000 1.467 80 H HN 0.254 nan 8.280 nan 0.000 0.501 81 F N 1.345 121.326 119.950 0.053 0.000 2.628 81 F HA 0.068 4.595 4.527 -0.000 0.000 0.362 81 F C 1.594 177.415 175.800 0.036 0.000 1.106 81 F CA 1.327 59.345 58.000 0.029 0.000 1.333 81 F CB 0.552 39.542 39.000 -0.017 0.000 0.996 81 F HN 0.499 nan 8.300 nan 0.000 0.608 82 G N 0.817 109.721 108.800 0.173 0.000 3.013 82 G HA2 0.662 4.622 3.960 -0.000 0.000 0.278 82 G HA3 0.662 4.622 3.960 -0.000 0.000 0.278 82 G C -1.498 173.545 174.900 0.240 0.000 1.353 82 G CA -0.636 44.565 45.100 0.167 0.000 1.043 82 G HN 0.885 nan 8.290 nan 0.000 0.523 83 H N -2.685 116.404 119.070 0.031 0.000 2.959 83 H HA 0.800 5.356 4.556 -0.000 0.000 0.296 83 H C -1.573 173.759 175.328 0.006 0.000 1.421 83 H CA -1.180 54.876 56.048 0.012 0.000 1.206 83 H CB 2.405 32.162 29.762 -0.008 0.000 1.891 83 H HN 0.583 nan 8.280 nan 0.000 0.573 84 I N 1.797 122.186 120.570 -0.302 0.000 2.654 84 I HA 0.078 4.248 4.170 -0.000 0.000 0.282 84 I C -1.460 174.506 176.117 -0.251 0.000 1.258 84 I CA -0.581 60.517 61.300 -0.336 0.000 1.088 84 I CB 1.478 39.387 38.000 -0.152 0.000 1.316 84 I HN 0.682 nan 8.210 nan 0.000 0.448 85 D N 8.682 128.903 120.400 -0.297 0.000 2.389 85 D HA 0.193 4.833 4.640 -0.000 0.000 0.263 85 D C 0.596 176.854 176.300 -0.071 0.000 1.255 85 D CA 0.326 54.253 54.000 -0.121 0.000 0.914 85 D CB 1.037 41.788 40.800 -0.081 0.000 1.116 85 D HN 0.413 nan 8.370 nan 0.000 0.502 86 L N 1.120 122.322 121.223 -0.036 0.000 2.367 86 L HA 0.090 4.430 4.340 -0.000 0.000 0.215 86 L C 1.777 178.639 176.870 -0.013 0.000 1.197 86 L CA -0.272 54.555 54.840 -0.022 0.000 0.836 86 L CB 0.089 42.145 42.059 -0.005 0.000 1.242 86 L HN 0.377 nan 8.230 nan 0.000 0.553 87 A N -0.541 122.273 122.820 -0.009 0.000 1.944 87 A HA 0.215 4.535 4.320 -0.000 0.000 0.209 87 A C 0.610 178.192 177.584 -0.004 0.000 1.328 87 A CA 0.573 52.607 52.037 -0.004 0.000 0.693 87 A CB 0.292 19.288 19.000 -0.008 0.000 0.994 87 A HN 0.623 nan 8.150 nan 0.000 0.485 88 K N 0.560 120.953 120.400 -0.011 0.000 2.468 88 K HA 0.394 4.714 4.320 -0.000 0.000 0.252 88 K C -2.986 173.599 176.600 -0.025 0.000 0.932 88 K CA -2.343 53.933 56.287 -0.017 0.000 0.794 88 K CB 2.222 34.707 32.500 -0.026 0.000 1.241 88 K HN 0.105 nan 8.250 nan 0.000 0.428 89 P HA -0.106 nan 4.420 nan 0.000 0.263 89 P C -0.590 176.667 177.300 -0.072 0.000 1.162 89 P CA 0.135 63.221 63.100 -0.022 0.000 0.758 89 P CB 0.464 32.154 31.700 -0.018 0.000 0.773 90 V N 3.745 123.639 119.914 -0.033 0.000 2.914 90 V HA 0.350 4.470 4.120 -0.000 0.000 0.314 90 V C 0.663 176.803 176.094 0.077 0.000 1.084 90 V CA -0.687 61.576 62.300 -0.063 0.000 0.963 90 V CB 1.447 33.273 31.823 0.005 0.000 1.025 90 V HN 0.318 nan 8.190 nan 0.000 0.432 91 F N 0.974 120.950 119.950 0.044 0.000 2.266 91 F HA 0.296 4.823 4.527 -0.000 0.000 0.287 91 F C 0.927 176.790 175.800 0.106 0.000 1.255 91 F CA -0.374 57.663 58.000 0.061 0.000 1.201 91 F CB 0.005 39.032 39.000 0.045 0.000 1.450 91 F HN 0.535 nan 8.300 nan 0.000 0.510 92 H N 0.521 119.703 119.070 0.186 0.000 2.675 92 H HA 0.330 4.886 4.556 -0.000 0.000 0.258 92 H C 0.683 175.922 175.328 -0.149 0.000 1.271 92 H CA -0.435 55.577 56.048 -0.059 0.000 1.462 92 H CB 0.660 30.280 29.762 -0.237 0.000 1.467 92 H HN 0.400 nan 8.280 nan 0.000 0.501 93 V N 2.836 122.647 119.914 -0.171 0.000 2.370 93 V HA -0.421 3.699 4.120 -0.000 0.000 0.260 93 V C 2.237 178.131 176.094 -0.333 0.000 1.143 93 V CA 2.391 64.564 62.300 -0.213 0.000 1.111 93 V CB -1.382 30.323 31.823 -0.196 0.000 0.839 93 V HN 0.768 nan 8.190 nan 0.000 0.458 94 G N -1.992 106.337 108.800 -0.784 0.000 2.494 94 G HA2 0.034 3.994 3.960 -0.000 0.000 0.216 94 G HA3 0.034 3.994 3.960 -0.000 0.000 0.216 94 G C 1.345 176.088 174.900 -0.262 0.000 1.140 94 G CA 0.551 45.266 45.100 -0.642 0.000 0.801 94 G HN 0.574 nan 8.290 nan 0.000 0.536 95 F N 0.283 120.028 119.950 -0.342 0.000 2.664 95 F HA 0.216 4.743 4.527 -0.000 0.000 0.296 95 F C 2.398 178.098 175.800 -0.166 0.000 1.125 95 F CA -0.528 57.382 58.000 -0.150 0.000 1.444 95 F CB 0.059 39.049 39.000 -0.016 0.000 1.114 95 F HN 0.025 nan 8.300 nan 0.000 0.576 96 I N 0.829 121.377 120.570 -0.038 0.000 2.147 96 I HA -0.472 3.698 4.170 -0.000 0.000 0.245 96 I C 2.770 178.810 176.117 -0.127 0.000 1.059 96 I CA 1.453 62.624 61.300 -0.216 0.000 1.320 96 I CB -0.705 37.211 38.000 -0.140 0.000 1.021 96 I HN 0.154 nan 8.210 nan 0.000 0.415 97 A N 0.429 123.224 122.820 -0.041 0.000 1.881 97 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 97 A C 2.359 179.931 177.584 -0.020 0.000 1.215 97 A CA 2.325 54.346 52.037 -0.026 0.000 0.648 97 A CB -0.656 18.338 19.000 -0.009 0.000 0.832 97 A HN 0.378 nan 8.150 nan 0.000 0.455 98 K N -0.880 119.520 120.400 -0.001 0.000 1.973 98 K HA -0.037 4.283 4.320 -0.000 0.000 0.210 98 K C 1.943 178.601 176.600 0.096 0.000 1.045 98 K CA 1.419 57.728 56.287 0.037 0.000 0.937 98 K CB -0.500 31.956 32.500 -0.074 0.000 0.721 98 K HN 0.532 nan 8.250 nan 0.000 0.438 99 I N 1.747 122.339 120.570 0.035 0.000 2.191 99 I HA -0.445 3.725 4.170 -0.000 0.000 0.248 99 I C 2.672 178.871 176.117 0.136 0.000 1.061 99 I CA 1.548 62.876 61.300 0.046 0.000 1.329 99 I CB -0.488 37.322 38.000 -0.316 0.000 1.024 99 I HN 0.295 nan 8.210 nan 0.000 0.423 100 K N 1.781 122.197 120.400 0.027 0.000 1.973 100 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 100 K C 1.963 178.675 176.600 0.186 0.000 1.045 100 K CA 1.558 57.896 56.287 0.084 0.000 0.937 100 K CB -0.213 32.307 32.500 0.034 0.000 0.721 100 K HN 0.245 nan 8.250 nan 0.000 0.438 101 K N 0.724 121.221 120.400 0.162 0.000 2.362 101 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 101 K C 1.916 178.727 176.600 0.351 0.000 1.045 101 K CA 0.851 57.256 56.287 0.197 0.000 0.936 101 K CB 0.066 32.449 32.500 -0.196 0.000 0.747 101 K HN 0.034 nan 8.250 nan 0.000 0.467 102 V N -0.012 120.106 119.914 0.340 0.000 2.379 102 V HA -0.222 3.898 4.120 -0.000 0.000 0.243 102 V C 2.317 178.499 176.094 0.148 0.000 1.035 102 V CA 1.190 63.663 62.300 0.288 0.000 1.035 102 V CB -0.216 31.726 31.823 0.199 0.000 0.673 102 V HN 0.395 nan 8.190 nan 0.000 0.457 103 C N 0.359 119.778 119.300 0.198 0.000 2.398 103 C HA -0.194 4.266 4.460 -0.000 0.000 0.276 103 C C 2.572 177.624 174.990 0.103 0.000 1.222 103 C CA 1.150 60.251 59.018 0.139 0.000 1.746 103 C CB -1.124 26.743 27.740 0.211 0.000 2.039 103 C HN 0.605 nan 8.230 nan 0.000 0.470 104 E N -1.108 119.184 120.200 0.153 0.000 2.455 104 E HA -0.200 4.150 4.350 -0.000 0.000 0.202 104 E C 1.754 178.390 176.600 0.061 0.000 1.045 104 E CA 0.860 57.322 56.400 0.105 0.000 0.872 104 E CB -0.125 29.692 29.700 0.196 0.000 0.792 104 E HN 0.698 nan 8.360 nan 0.000 0.542 105 C N 0.085 119.451 119.300 0.111 0.000 3.065 105 C HA 0.211 4.671 4.460 -0.000 0.000 0.285 105 C C 0.546 175.550 174.990 0.022 0.000 1.257 105 C CA -0.355 58.707 59.018 0.074 0.000 1.691 105 C CB 0.369 28.203 27.740 0.157 0.000 2.089 105 C HN -0.019 nan 8.230 nan 0.000 0.630 106 V N -0.436 119.478 119.914 0.000 0.000 2.888 106 V HA 0.368 4.488 4.120 -0.000 0.000 0.309 106 V C -0.681 175.412 176.094 -0.001 0.000 1.114 106 V CA -0.733 61.551 62.300 -0.026 0.000 0.940 106 V CB 1.628 33.391 31.823 -0.100 0.000 1.021 106 V HN 0.269 nan 8.190 nan 0.000 0.426 107 C N 6.361 125.674 119.300 0.022 0.000 2.365 107 C HA 0.640 5.100 4.460 -0.000 0.000 0.351 107 C C 0.774 175.805 174.990 0.067 0.000 1.240 107 C CA -0.763 58.295 59.018 0.065 0.000 2.062 107 C CB 0.448 28.247 27.740 0.099 0.000 2.387 107 C HN 0.830 nan 8.230 nan 0.000 0.537 108 M N 4.505 124.139 119.600 0.058 0.000 1.715 108 M HA 0.231 4.710 4.480 -0.000 0.000 0.170 108 M C 1.517 177.810 176.300 -0.013 0.000 1.261 108 M CA 0.804 56.078 55.300 -0.045 0.000 0.770 108 M CB -0.955 31.528 32.600 -0.196 0.000 1.112 108 M HN 0.904 nan 8.290 nan 0.000 0.385 109 H N -1.098 118.036 119.070 0.107 0.000 4.884 109 H HA -0.231 4.325 4.556 -0.000 0.000 0.061 109 H C 1.687 177.041 175.328 0.044 0.000 0.590 109 H CA 2.531 58.621 56.048 0.070 0.000 0.961 109 H CB -1.673 28.121 29.762 0.053 0.000 0.443 109 H HN 0.876 nan 8.280 nan 0.000 0.794 110 C N 1.580 120.974 119.300 0.158 0.000 2.820 110 C HA 0.641 5.101 4.460 -0.000 0.000 0.323 110 C C 1.534 176.545 174.990 0.034 0.000 1.279 110 C CA 1.241 60.294 59.018 0.058 0.000 1.790 110 C CB -0.013 27.753 27.740 0.043 0.000 2.328 110 C HN 1.378 nan 8.230 nan 0.000 0.579 111 G N 1.943 110.773 108.800 0.051 0.000 2.402 111 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.241 111 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.241 111 G C -0.602 174.288 174.900 -0.017 0.000 0.871 111 G CA 0.820 45.933 45.100 0.021 0.000 1.232 111 G HN 1.102 nan 8.290 nan 0.000 0.369 112 K N 1.229 121.615 120.400 -0.024 0.000 2.607 112 K HA 0.532 4.852 4.320 -0.000 0.000 0.287 112 K C 0.722 177.306 176.600 -0.026 0.000 0.996 112 K CA -1.261 55.004 56.287 -0.036 0.000 0.876 112 K CB 1.118 33.604 32.500 -0.024 0.000 1.496 112 K HN 0.298 nan 8.250 nan 0.000 0.415 113 L N 2.061 123.269 121.223 -0.024 0.000 2.453 113 L HA -0.051 4.289 4.340 -0.000 0.000 0.274 113 L C 0.834 177.706 176.870 0.003 0.000 1.270 113 L CA 0.473 55.308 54.840 -0.008 0.000 0.822 113 L CB 0.087 42.145 42.059 -0.003 0.000 1.091 113 L HN 0.571 nan 8.230 nan 0.000 0.546 114 L N 1.861 123.087 121.223 0.005 0.000 3.069 114 L HA 0.369 4.709 4.340 -0.000 0.000 0.271 114 L C -0.594 176.281 176.870 0.008 0.000 1.201 114 L CA 0.023 54.867 54.840 0.006 0.000 1.015 114 L CB 0.153 42.209 42.059 -0.006 0.000 1.371 114 L HN 0.364 nan 8.230 nan 0.000 0.574 115 L N 0.223 121.453 121.223 0.012 0.000 2.752 115 L HA 0.347 4.687 4.340 -0.000 0.000 0.257 115 L C -1.110 175.767 176.870 0.012 0.000 0.968 115 L CA -0.356 54.494 54.840 0.017 0.000 0.953 115 L CB 2.056 44.116 42.059 0.002 0.000 1.286 115 L HN -0.038 nan 8.230 nan 0.000 0.443 116 D N 1.215 121.632 120.400 0.029 0.000 2.433 116 D HA 0.112 4.752 4.640 -0.000 0.000 0.255 116 D C 0.850 177.082 176.300 -0.113 0.000 1.226 116 D CA -0.326 53.644 54.000 -0.051 0.000 1.015 116 D CB 1.267 42.032 40.800 -0.059 0.000 1.091 116 D HN 0.461 nan 8.370 nan 0.000 0.527 117 E N -0.310 119.747 120.200 -0.239 0.000 2.339 117 E HA -0.209 4.141 4.350 -0.000 0.000 0.201 117 E C 1.624 178.135 176.600 -0.148 0.000 1.015 117 E CA 1.115 57.399 56.400 -0.194 0.000 0.841 117 E CB -0.157 29.407 29.700 -0.228 0.000 0.754 117 E HN 0.377 nan 8.360 nan 0.000 0.508 118 H N 0.195 119.263 119.070 -0.002 0.000 2.319 118 H HA -0.060 4.496 4.556 -0.000 0.000 0.299 118 H C 1.032 176.358 175.328 -0.004 0.000 1.092 118 H CA 1.029 57.075 56.048 -0.004 0.000 1.302 118 H CB -0.452 29.307 29.762 -0.005 0.000 1.373 118 H HN 0.112 nan 8.280 nan 0.000 0.497 119 N N 1.680 120.443 118.700 0.105 0.000 2.442 119 N HA -0.076 4.664 4.740 -0.000 0.000 0.265 119 N C 1.161 176.687 175.510 0.027 0.000 1.138 119 N CA 0.179 53.261 53.050 0.053 0.000 0.956 119 N CB 1.387 39.894 38.487 0.034 0.000 1.067 119 N HN 0.395 nan 8.380 nan 0.000 0.474 120 E N 4.004 124.218 120.200 0.023 0.000 2.051 120 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 120 E C 1.598 178.202 176.600 0.007 0.000 0.991 120 E CA 0.863 57.272 56.400 0.014 0.000 0.799 120 E CB 0.076 29.784 29.700 0.014 0.000 0.748 120 E HN 0.673 nan 8.360 nan 0.000 0.449 121 L N 0.273 121.499 121.223 0.005 0.000 2.189 121 L HA -0.233 4.107 4.340 -0.000 0.000 0.214 121 L C 2.612 179.482 176.870 0.001 0.000 1.097 121 L CA 1.012 55.852 54.840 0.001 0.000 0.764 121 L CB -0.261 41.794 42.059 -0.006 0.000 0.900 121 L HN 0.382 nan 8.230 nan 0.000 0.436 122 M N -0.327 119.274 119.600 0.002 0.000 2.156 122 M HA -0.134 4.346 4.480 -0.000 0.000 0.264 122 M C 2.223 178.525 176.300 0.003 0.000 1.067 122 M CA 1.615 56.916 55.300 0.002 0.000 1.131 122 M CB -0.236 32.364 32.600 -0.000 0.000 1.368 122 M HN -0.020 nan 8.290 nan 0.000 0.416 123 R N -0.182 120.318 120.500 -0.000 0.000 2.143 123 R HA -0.260 4.080 4.340 -0.000 0.000 0.239 123 R C 2.227 178.531 176.300 0.007 0.000 1.126 123 R CA 2.478 58.578 56.100 -0.001 0.000 0.927 123 R CB -1.057 29.243 30.300 -0.001 0.000 0.860 123 R HN 0.566 nan 8.270 nan 0.000 0.433 124 Q N -0.254 119.551 119.800 0.009 0.000 2.217 124 Q HA -0.188 4.152 4.340 -0.000 0.000 0.209 124 Q C 1.888 177.899 176.000 0.019 0.000 0.988 124 Q CA 1.683 57.494 55.803 0.013 0.000 0.878 124 Q CB -0.188 28.557 28.738 0.012 0.000 0.909 124 Q HN 0.451 nan 8.270 nan 0.000 0.424 125 A N -0.199 122.633 122.820 0.019 0.000 2.238 125 A HA 0.097 4.417 4.320 -0.000 0.000 0.208 125 A C 1.485 179.091 177.584 0.036 0.000 1.177 125 A CA 0.266 52.321 52.037 0.029 0.000 0.804 125 A CB 0.091 19.106 19.000 0.026 0.000 0.823 125 A HN 0.252 nan 8.150 nan 0.000 0.482 126 L N -2.074 119.166 121.223 0.028 0.000 2.766 126 L HA 0.235 4.574 4.340 -0.000 0.000 0.242 126 L C 2.234 179.122 176.870 0.030 0.000 1.136 126 L CA 0.644 55.503 54.840 0.031 0.000 0.933 126 L CB 0.276 42.346 42.059 0.018 0.000 1.241 126 L HN 0.348 nan 8.230 nan 0.000 0.522 127 A N 0.031 122.868 122.820 0.027 0.000 2.014 127 A HA 0.229 4.549 4.320 -0.000 0.000 0.210 127 A C 1.136 178.740 177.584 0.032 0.000 1.188 127 A CA -0.116 51.937 52.037 0.026 0.000 0.731 127 A CB -0.007 19.005 19.000 0.021 0.000 0.858 127 A HN 0.193 nan 8.150 nan 0.000 0.464 128 I N 1.725 122.317 120.570 0.037 0.000 2.845 128 I HA -0.085 4.085 4.170 -0.000 0.000 0.290 128 I C -0.126 176.019 176.117 0.047 0.000 1.202 128 I CA 0.634 61.959 61.300 0.042 0.000 1.406 128 I CB 0.381 38.408 38.000 0.046 0.000 1.383 128 I HN 0.208 nan 8.210 nan 0.000 0.549 129 K N 6.252 126.678 120.400 0.043 0.000 2.229 129 K HA 0.274 4.594 4.320 -0.000 0.000 0.247 129 K C -0.791 175.836 176.600 0.046 0.000 1.117 129 K CA -0.226 56.087 56.287 0.044 0.000 1.036 129 K CB 0.388 32.910 32.500 0.038 0.000 1.654 129 K HN 0.434 nan 8.250 nan 0.000 0.405 130 D N 1.022 121.454 120.400 0.053 0.000 2.491 130 D HA -0.043 4.597 4.640 -0.000 0.000 0.232 130 D C 0.969 177.305 176.300 0.061 0.000 1.334 130 D CA 0.061 54.091 54.000 0.051 0.000 0.909 130 D CB 0.921 41.751 40.800 0.051 0.000 1.513 130 D HN 0.365 nan 8.370 nan 0.000 0.514 131 S N 2.398 118.128 115.700 0.049 0.000 2.425 131 S HA -0.353 4.117 4.470 -0.000 0.000 0.256 131 S C 1.697 176.338 174.600 0.068 0.000 1.101 131 S CA 1.199 59.425 58.200 0.043 0.000 1.188 131 S CB -0.222 62.968 63.200 -0.016 0.000 1.085 131 S HN 0.484 nan 8.310 nan 0.000 0.439 132 K N 1.242 121.669 120.400 0.045 0.000 2.160 132 K HA -0.069 4.251 4.320 -0.000 0.000 0.206 132 K C 2.351 179.015 176.600 0.108 0.000 1.047 132 K CA 1.671 57.997 56.287 0.066 0.000 0.930 132 K CB -0.171 32.351 32.500 0.037 0.000 0.720 132 K HN 0.549 nan 8.250 nan 0.000 0.450 133 K N -0.231 120.226 120.400 0.094 0.000 2.242 133 K HA 0.058 4.378 4.320 -0.000 0.000 0.200 133 K C 2.059 178.722 176.600 0.105 0.000 1.050 133 K CA 0.117 56.458 56.287 0.089 0.000 0.981 133 K CB 0.179 32.719 32.500 0.066 0.000 0.795 133 K HN 0.023 nan 8.250 nan 0.000 0.477 134 R N 0.712 121.286 120.500 0.124 0.000 2.109 134 R HA -0.128 4.212 4.340 -0.000 0.000 0.227 134 R C 2.069 178.467 176.300 0.164 0.000 1.132 134 R CA 1.862 58.041 56.100 0.131 0.000 0.907 134 R CB -0.689 29.701 30.300 0.150 0.000 0.825 134 R HN 0.104 nan 8.270 nan 0.000 0.432 135 F N 1.259 121.253 119.950 0.073 0.000 2.380 135 F HA -0.232 4.295 4.527 -0.000 0.000 0.299 135 F C 1.776 177.637 175.800 0.102 0.000 1.064 135 F CA 1.234 59.289 58.000 0.091 0.000 1.432 135 F CB -0.020 39.016 39.000 0.058 0.000 1.089 135 F HN 0.087 nan 8.300 nan 0.000 0.562 136 A N -1.094 121.751 122.820 0.042 0.000 2.169 136 A HA 0.492 4.812 4.320 -0.000 0.000 0.210 136 A C 2.051 179.672 177.584 0.062 0.000 1.168 136 A CA 0.676 52.714 52.037 0.003 0.000 0.813 136 A CB -0.688 18.347 19.000 0.059 0.000 0.861 136 A HN 0.372 nan 8.150 nan 0.000 0.481 137 A N -0.107 122.744 122.820 0.052 0.000 1.963 137 A HA 0.285 4.605 4.320 -0.000 0.000 0.207 137 A C 1.879 179.481 177.584 0.030 0.000 1.243 137 A CA 0.633 52.700 52.037 0.049 0.000 0.728 137 A CB -0.396 18.630 19.000 0.043 0.000 0.895 137 A HN 0.318 nan 8.150 nan 0.000 0.467 138 I N -1.664 118.922 120.570 0.027 0.000 2.091 138 I HA -0.328 3.842 4.170 -0.000 0.000 0.239 138 I C 2.441 178.554 176.117 -0.006 0.000 1.061 138 I CA 2.068 63.377 61.300 0.016 0.000 1.317 138 I CB -0.425 37.603 38.000 0.047 0.000 1.031 138 I HN 0.695 nan 8.210 nan 0.000 0.401 139 W N 1.953 123.086 121.300 -0.278 0.000 2.317 139 W HA -0.291 4.369 4.660 -0.000 0.000 0.318 139 W C 2.676 179.091 176.519 -0.174 0.000 1.227 139 W CA 2.610 59.775 57.345 -0.299 0.000 1.269 139 W CB -0.770 28.385 29.460 -0.509 0.000 1.155 139 W HN 0.023 nan 8.180 nan 0.000 0.484 140 T N 1.378 115.911 114.554 -0.036 0.000 2.778 140 T HA -0.237 4.113 4.350 -0.000 0.000 0.269 140 T C 1.870 176.427 174.700 -0.238 0.000 1.050 140 T CA 1.735 63.715 62.100 -0.200 0.000 1.137 140 T CB -0.460 68.404 68.868 -0.007 0.000 0.860 140 T HN 0.196 nan 8.240 nan 0.000 0.468 141 L N 0.666 121.796 121.223 -0.154 0.000 2.095 141 L HA -0.002 4.338 4.340 -0.000 0.000 0.204 141 L C 2.328 179.106 176.870 -0.154 0.000 1.080 141 L CA 0.986 55.751 54.840 -0.125 0.000 0.759 141 L CB -0.345 41.675 42.059 -0.064 0.000 0.914 141 L HN 0.445 nan 8.230 nan 0.000 0.439 142 C N -2.080 117.114 119.300 -0.177 0.000 2.780 142 C HA 0.156 4.616 4.460 -0.000 0.000 0.287 142 C C 2.158 177.005 174.990 -0.239 0.000 1.288 142 C CA -0.786 58.135 59.018 -0.161 0.000 1.713 142 C CB -1.296 26.390 27.740 -0.089 0.000 1.955 142 C HN 0.455 nan 8.230 nan 0.000 0.613 143 K N 1.370 121.516 120.400 -0.422 0.000 2.228 143 K HA -0.023 4.297 4.320 -0.000 0.000 0.202 143 K C 1.504 177.912 176.600 -0.320 0.000 1.051 143 K CA 1.601 57.581 56.287 -0.513 0.000 0.960 143 K CB -0.543 31.334 32.500 -1.038 0.000 0.743 143 K HN 0.321 nan 8.250 nan 0.000 0.458 144 T N 1.199 115.593 114.554 -0.266 0.000 2.735 144 T HA -0.009 4.341 4.350 -0.000 0.000 0.256 144 T C 0.327 174.952 174.700 -0.124 0.000 1.042 144 T CA 0.637 62.630 62.100 -0.178 0.000 1.147 144 T CB -0.001 68.776 68.868 -0.152 0.000 0.865 144 T HN 0.189 nan 8.240 nan 0.000 0.421 145 K N 1.819 122.155 120.400 -0.107 0.000 2.436 145 K HA 0.140 4.460 4.320 -0.000 0.000 0.282 145 K C -0.165 176.398 176.600 -0.062 0.000 1.044 145 K CA 0.482 56.728 56.287 -0.070 0.000 1.028 145 K CB 0.259 32.727 32.500 -0.054 0.000 0.919 145 K HN 0.336 nan 8.250 nan 0.000 0.474 146 M N 3.044 122.618 119.600 -0.044 0.000 2.963 146 M HA 0.172 4.652 4.480 -0.000 0.000 0.350 146 M C -1.111 175.192 176.300 0.005 0.000 1.253 146 M CA -0.317 54.964 55.300 -0.031 0.000 0.856 146 M CB 0.896 33.468 32.600 -0.047 0.000 1.356 146 M HN 0.090 nan 8.290 nan 0.000 0.510 147 V N 0.173 120.093 119.914 0.010 0.000 2.624 147 V HA 0.088 4.208 4.120 -0.000 0.000 0.294 147 V C -0.353 175.756 176.094 0.025 0.000 1.077 147 V CA -1.175 61.141 62.300 0.027 0.000 0.905 147 V CB 2.001 33.834 31.823 0.018 0.000 1.025 147 V HN 0.535 nan 8.190 nan 0.000 0.440 148 C N 5.948 125.274 119.300 0.043 0.000 3.260 148 C HA 0.152 4.612 4.460 -0.000 0.000 0.459 148 C C 1.097 176.102 174.990 0.025 0.000 1.044 148 C CA -0.308 58.733 59.018 0.039 0.000 1.091 148 C CB -2.034 25.742 27.740 0.060 0.000 1.536 148 C HN 0.878 nan 8.230 nan 0.000 0.590 149 E N 2.342 122.551 120.200 0.015 0.000 2.760 149 E HA -0.089 4.261 4.350 -0.000 0.000 0.268 149 E C 1.033 177.635 176.600 0.004 0.000 0.935 149 E CA 0.667 57.070 56.400 0.006 0.000 0.960 149 E CB 0.554 30.256 29.700 0.003 0.000 0.931 149 E HN 0.673 nan 8.360 nan 0.000 0.483 150 T N 1.501 116.051 114.554 -0.006 0.000 2.969 150 T HA 0.039 4.389 4.350 -0.000 0.000 0.250 150 T C -0.417 174.265 174.700 -0.030 0.000 1.021 150 T CA 0.081 62.174 62.100 -0.012 0.000 1.003 150 T CB 0.437 69.298 68.868 -0.012 0.000 1.040 150 T HN 0.349 nan 8.240 nan 0.000 0.492 151 D N 1.182 121.560 120.400 -0.037 0.000 2.855 151 D HA 0.517 5.157 4.640 -0.000 0.000 0.241 151 D C -1.119 175.144 176.300 -0.062 0.000 1.277 151 D CA -0.167 53.798 54.000 -0.058 0.000 0.918 151 D CB 2.831 43.604 40.800 -0.046 0.000 1.462 151 D HN -0.018 nan 8.370 nan 0.000 0.559 152 V N 2.030 121.885 119.914 -0.099 0.000 2.876 152 V HA 0.466 4.586 4.120 -0.000 0.000 0.312 152 V C -2.368 173.669 176.094 -0.095 0.000 1.085 152 V CA -1.870 60.380 62.300 -0.083 0.000 0.945 152 V CB 2.498 34.278 31.823 -0.072 0.000 1.017 152 V HN 0.350 nan 8.190 nan 0.000 0.428 153 P HA 0.118 nan 4.420 nan 0.000 0.269 153 P C 0.302 177.580 177.300 -0.035 0.000 1.263 153 P CA 0.256 63.330 63.100 -0.042 0.000 0.813 153 P CB 0.663 32.350 31.700 -0.023 0.000 0.868 154 S N 3.248 118.920 115.700 -0.047 0.000 2.647 154 S HA -0.034 4.436 4.470 -0.000 0.000 0.251 154 S C 1.045 175.654 174.600 0.015 0.000 1.320 154 S CA -0.276 57.915 58.200 -0.015 0.000 0.968 154 S CB -0.230 62.957 63.200 -0.021 0.000 1.005 154 S HN 0.459 nan 8.310 nan 0.000 0.576 155 E N 1.104 121.323 120.200 0.032 0.000 2.461 155 E HA 0.047 4.397 4.350 -0.000 0.000 0.196 155 E C -0.124 176.485 176.600 0.014 0.000 1.129 155 E CA 0.328 56.744 56.400 0.027 0.000 0.902 155 E CB -0.294 29.426 29.700 0.033 0.000 0.963 155 E HN 0.458 nan 8.360 nan 0.000 0.503 156 D N 0.219 120.623 120.400 0.007 0.000 3.222 156 D HA 0.102 4.742 4.640 -0.000 0.000 0.190 156 D C 0.036 176.336 176.300 -0.001 0.000 1.235 156 D CA -0.484 53.517 54.000 0.003 0.000 1.213 156 D CB -0.028 40.773 40.800 0.000 0.000 1.103 156 D HN -0.135 nan 8.370 nan 0.000 0.468 157 D N 1.513 121.911 120.400 -0.004 0.000 2.345 157 D HA 0.117 4.757 4.640 -0.000 0.000 0.247 157 D C -1.396 174.899 176.300 -0.009 0.000 1.108 157 D CA -1.018 52.978 54.000 -0.006 0.000 0.894 157 D CB 1.671 42.467 40.800 -0.007 0.000 1.203 157 D HN 0.050 nan 8.370 nan 0.000 0.430 158 P HA -0.026 nan 4.420 nan 0.000 0.241 158 P C 0.958 178.251 177.300 -0.013 0.000 1.191 158 P CA 0.472 63.566 63.100 -0.010 0.000 0.771 158 P CB 0.476 32.171 31.700 -0.008 0.000 0.929 159 T N -0.344 114.203 114.554 -0.011 0.000 2.770 159 T HA -0.052 4.298 4.350 -0.000 0.000 0.258 159 T C 1.013 175.704 174.700 -0.015 0.000 1.039 159 T CA 0.901 62.994 62.100 -0.012 0.000 1.143 159 T CB -0.376 68.487 68.868 -0.009 0.000 0.866 159 T HN 0.291 nan 8.240 nan 0.000 0.428 160 Q N 1.236 121.026 119.800 -0.016 0.000 2.288 160 Q HA 0.454 4.794 4.340 -0.000 0.000 0.258 160 Q C -0.990 174.992 176.000 -0.029 0.000 0.957 160 Q CA -0.054 55.737 55.803 -0.021 0.000 0.919 160 Q CB 0.831 29.558 28.738 -0.018 0.000 1.185 160 Q HN 0.410 nan 8.270 nan 0.000 0.408 161 L N 2.892 124.094 121.223 -0.034 0.000 2.296 161 L HA 0.494 4.834 4.340 -0.000 0.000 0.286 161 L C -0.414 176.419 176.870 -0.061 0.000 1.023 161 L CA -0.952 53.860 54.840 -0.047 0.000 0.812 161 L CB 1.356 43.391 42.059 -0.040 0.000 1.223 161 L HN 0.325 nan 8.230 nan 0.000 0.421 162 V N 1.446 121.304 119.914 -0.093 0.000 2.716 162 V HA 0.479 4.599 4.120 -0.000 0.000 0.304 162 V C 0.377 176.390 176.094 -0.136 0.000 1.053 162 V CA -0.511 61.719 62.300 -0.118 0.000 0.984 162 V CB 1.872 33.594 31.823 -0.169 0.000 1.021 162 V HN 0.923 nan 8.190 nan 0.000 0.467 163 S N 4.060 119.697 115.700 -0.105 0.000 2.638 163 S HA 0.876 5.346 4.470 -0.000 0.000 0.298 163 S C -0.271 174.286 174.600 -0.072 0.000 1.111 163 S CA -0.807 57.345 58.200 -0.080 0.000 1.027 163 S CB 2.430 65.603 63.200 -0.045 0.000 1.064 163 S HN 0.935 nan 8.310 nan 0.000 0.525 164 R N 0.696 121.174 120.500 -0.036 0.000 2.936 164 R HA 0.640 4.980 4.340 -0.000 0.000 0.095 164 R C 0.529 176.835 176.300 0.010 0.000 0.565 164 R CA -0.633 55.475 56.100 0.013 0.000 0.363 164 R CB -0.386 29.950 30.300 0.061 0.000 0.398 164 R HN 0.741 nan 8.270 nan 0.000 0.321 165 G N -0.305 108.507 108.800 0.019 0.000 2.569 165 G HA2 0.463 4.423 3.960 -0.000 0.000 0.249 165 G HA3 0.463 4.423 3.960 -0.000 0.000 0.249 165 G C -0.417 174.484 174.900 0.003 0.000 1.216 165 G CA -0.080 45.024 45.100 0.008 0.000 0.845 165 G HN 0.629 nan 8.290 nan 0.000 0.568 166 G N -2.265 106.534 108.800 -0.002 0.000 2.533 166 G HA2 0.639 4.599 3.960 -0.000 0.000 0.304 166 G HA3 0.639 4.599 3.960 -0.000 0.000 0.304 166 G C -0.223 174.678 174.900 0.000 0.000 1.263 166 G CA 0.019 45.117 45.100 -0.004 0.000 0.964 166 G HN 2.136 nan 8.290 nan 0.000 0.479 167 C N -0.646 118.652 119.300 -0.003 0.000 3.580 167 C HA 0.071 4.531 4.460 -0.000 0.000 0.363 167 C C 1.183 176.178 174.990 0.008 0.000 0.911 167 C CA -0.814 58.199 59.018 -0.009 0.000 3.791 167 C CB -1.468 26.273 27.740 0.002 0.000 1.068 167 C HN 1.835 nan 8.230 nan 0.000 0.607 168 G N 1.719 110.519 108.800 0.000 0.000 2.708 168 G HA2 0.011 3.971 3.960 -0.000 0.000 0.210 168 G HA3 0.011 3.971 3.960 -0.000 0.000 0.210 168 G C 0.571 175.492 174.900 0.034 0.000 1.141 168 G CA 0.397 45.507 45.100 0.017 0.000 0.788 168 G HN 0.978 nan 8.290 nan 0.000 0.531 169 N N 2.181 120.890 118.700 0.015 0.000 2.068 169 N HA -0.075 4.665 4.740 -0.000 0.000 0.290 169 N C 0.518 176.123 175.510 0.157 0.000 1.372 169 N CA 0.816 53.886 53.050 0.033 0.000 0.863 169 N CB 0.173 38.612 38.487 -0.080 0.000 1.174 169 N HN 0.081 nan 8.380 nan 0.000 0.494 170 T N 2.844 117.496 114.554 0.165 0.000 2.923 170 T HA -0.113 4.237 4.350 -0.000 0.000 0.309 170 T C 0.784 175.661 174.700 0.294 0.000 1.059 170 T CA 0.321 62.544 62.100 0.205 0.000 1.133 170 T CB 0.468 69.468 68.868 0.220 0.000 1.053 170 T HN 0.321 nan 8.240 nan 0.000 0.530 171 Q N 3.826 123.713 119.800 0.146 0.000 2.256 171 Q HA 0.293 4.633 4.340 -0.000 0.000 0.254 171 Q C -2.168 173.746 176.000 -0.143 0.000 0.916 171 Q CA -1.933 53.906 55.803 0.060 0.000 0.932 171 Q CB 1.070 29.817 28.738 0.015 0.000 1.207 171 Q HN 0.438 nan 8.270 nan 0.000 0.426 172 P HA 0.085 nan 4.420 nan 0.000 0.292 172 P C -0.617 176.424 177.300 -0.432 0.000 1.287 172 P CA -0.312 62.304 63.100 -0.807 0.000 0.800 172 P CB 1.169 31.712 31.700 -1.928 0.000 0.945 173 T N 3.731 118.103 114.554 -0.304 0.000 2.856 173 T HA 0.347 4.697 4.350 -0.000 0.000 0.306 173 T C 0.668 175.257 174.700 -0.185 0.000 1.062 173 T CA 0.199 62.189 62.100 -0.184 0.000 1.083 173 T CB 0.099 68.891 68.868 -0.127 0.000 0.984 173 T HN 0.278 nan 8.240 nan 0.000 0.542 174 I N 1.353 121.866 120.570 -0.095 0.000 2.730 174 I HA 0.583 4.753 4.170 -0.000 0.000 0.298 174 I C -0.124 175.991 176.117 -0.002 0.000 1.089 174 I CA -1.228 60.038 61.300 -0.057 0.000 1.041 174 I CB 2.265 40.253 38.000 -0.019 0.000 1.235 174 I HN 0.632 nan 8.210 nan 0.000 0.423 175 R N 2.839 123.344 120.500 0.009 0.000 2.837 175 R HA 0.611 4.951 4.340 -0.000 0.000 0.271 175 R C -1.282 175.045 176.300 0.046 0.000 0.993 175 R CA -1.140 54.978 56.100 0.030 0.000 0.931 175 R CB 2.266 32.578 30.300 0.020 0.000 1.206 175 R HN 0.473 nan 8.270 nan 0.000 0.474 176 K N 1.578 122.009 120.400 0.052 0.000 2.263 176 K HA 0.126 4.446 4.320 -0.000 0.000 0.272 176 K C -1.283 175.354 176.600 0.061 0.000 1.033 176 K CA -0.472 55.852 56.287 0.062 0.000 0.884 176 K CB 1.165 33.698 32.500 0.055 0.000 1.107 176 K HN 0.670 nan 8.250 nan 0.000 0.460 177 D N 4.045 124.488 120.400 0.071 0.000 2.453 177 D HA 0.274 4.914 4.640 -0.000 0.000 0.238 177 D C 0.601 176.949 176.300 0.080 0.000 1.088 177 D CA 0.605 54.644 54.000 0.065 0.000 0.854 177 D CB 1.236 42.070 40.800 0.056 0.000 1.076 177 D HN 0.894 nan 8.370 nan 0.000 0.533 178 G N 3.775 112.621 108.800 0.077 0.000 2.596 178 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.304 178 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.304 178 G C 0.676 175.647 174.900 0.117 0.000 1.189 178 G CA 0.503 45.658 45.100 0.093 0.000 0.986 178 G HN 0.564 nan 8.290 nan 0.000 0.548 179 L N 0.916 122.223 121.223 0.140 0.000 2.872 179 L HA 0.397 4.737 4.340 -0.000 0.000 0.245 179 L C 0.747 177.768 176.870 0.251 0.000 1.211 179 L CA 0.091 55.046 54.840 0.192 0.000 1.013 179 L CB -0.094 42.068 42.059 0.171 0.000 1.326 179 L HN 0.255 nan 8.230 nan 0.000 0.525 180 K N 0.897 121.423 120.400 0.209 0.000 2.443 180 K HA 0.662 4.982 4.320 -0.000 0.000 0.251 180 K C -1.063 175.675 176.600 0.231 0.000 0.972 180 K CA -0.814 55.610 56.287 0.228 0.000 0.833 180 K CB 3.108 35.672 32.500 0.106 0.000 1.317 180 K HN -0.044 nan 8.250 nan 0.000 0.441 181 L N 2.101 123.483 121.223 0.264 0.000 2.305 181 L HA 0.521 4.861 4.340 -0.000 0.000 0.284 181 L C -0.801 176.146 176.870 0.129 0.000 1.013 181 L CA -1.043 53.910 54.840 0.189 0.000 0.819 181 L CB 1.624 43.818 42.059 0.225 0.000 1.227 181 L HN 0.244 nan 8.230 nan 0.000 0.417 182 V N 1.884 121.846 119.914 0.080 0.000 2.735 182 V HA 0.866 4.986 4.120 -0.000 0.000 0.310 182 V C 0.123 176.207 176.094 -0.016 0.000 1.061 182 V CA -0.428 61.904 62.300 0.054 0.000 0.913 182 V CB 2.189 34.047 31.823 0.058 0.000 1.005 182 V HN 0.869 nan 8.190 nan 0.000 0.428 183 G N 1.573 110.322 108.800 -0.086 0.000 2.659 183 G HA2 0.635 4.595 3.960 -0.000 0.000 0.296 183 G HA3 0.635 4.595 3.960 -0.000 0.000 0.296 183 G C -0.843 173.861 174.900 -0.326 0.000 1.369 183 G CA -0.304 44.634 45.100 -0.270 0.000 0.937 183 G HN 0.893 nan 8.290 nan 0.000 0.485 184 S N 0.503 116.038 115.700 -0.274 0.000 2.489 184 S HA 0.657 5.127 4.470 -0.000 0.000 0.291 184 S C -0.822 173.676 174.600 -0.171 0.000 1.151 184 S CA -0.765 57.379 58.200 -0.092 0.000 1.082 184 S CB 1.263 64.454 63.200 -0.015 0.000 1.019 184 S HN 0.535 nan 8.310 nan 0.000 0.492 185 W N 2.548 123.865 121.300 0.028 0.000 2.329 185 W HA 0.360 5.020 4.660 -0.000 0.000 0.312 185 W C -0.119 176.411 176.519 0.020 0.000 1.054 185 W CA -0.873 56.490 57.345 0.029 0.000 1.245 185 W CB 1.625 31.107 29.460 0.037 0.000 1.255 185 W HN 0.601 nan 8.180 nan 0.000 0.436 186 K N 3.374 123.882 120.400 0.180 0.000 2.297 186 K HA 0.221 4.541 4.320 -0.000 0.000 0.286 186 K C -0.049 176.618 176.600 0.112 0.000 1.053 186 K CA -0.111 56.244 56.287 0.113 0.000 0.940 186 K CB 1.171 33.706 32.500 0.059 0.000 1.019 186 K HN 0.202 nan 8.250 nan 0.000 0.475 187 K N 2.585 123.037 120.400 0.086 0.000 2.339 187 K HA 0.167 4.487 4.320 -0.000 0.000 0.264 187 K C -0.830 175.794 176.600 0.040 0.000 0.986 187 K CA -0.683 55.641 56.287 0.061 0.000 0.866 187 K CB 1.255 33.786 32.500 0.052 0.000 1.103 187 K HN 0.486 nan 8.250 nan 0.000 0.441 188 D N 2.104 122.523 120.400 0.032 0.000 2.268 188 D HA 0.431 5.071 4.640 -0.000 0.000 0.249 188 D C -0.465 175.844 176.300 0.015 0.000 1.008 188 D CA -0.212 53.801 54.000 0.022 0.000 0.939 188 D CB 1.239 42.050 40.800 0.019 0.000 1.170 188 D HN 0.417 nan 8.370 nan 0.000 0.468 196 E N 0.321 120.539 120.200 0.030 0.000 7.836 196 E HA -0.109 4.240 4.350 -0.000 0.000 0.464 196 E C -2.647 173.983 176.600 0.050 0.000 0.603 196 E CA -0.585 55.836 56.400 0.034 0.000 1.065 196 E CB -0.025 29.692 29.700 0.029 0.000 0.978 196 E HN 0.183 nan 8.360 nan 0.000 0.262 197 P HA 0.094 nan 4.420 nan 0.000 0.282 197 P C -0.730 176.635 177.300 0.108 0.000 1.286 197 P CA 0.262 63.412 63.100 0.084 0.000 0.777 197 P CB 0.420 32.161 31.700 0.068 0.000 1.184 198 E N -0.131 120.169 120.200 0.166 0.000 2.759 198 E HA 0.261 4.611 4.350 -0.000 0.000 0.318 198 E C -0.989 175.780 176.600 0.281 0.000 1.093 198 E CA -0.270 56.247 56.400 0.194 0.000 0.762 198 E CB 0.394 30.221 29.700 0.212 0.000 1.543 198 E HN 0.332 nan 8.360 nan 0.000 0.381 199 L N 4.138 125.470 121.223 0.181 0.000 2.283 199 L HA 0.478 4.818 4.340 -0.000 0.000 0.287 199 L C 0.271 177.248 176.870 0.180 0.000 1.073 199 L CA -0.244 54.702 54.840 0.177 0.000 0.822 199 L CB 0.182 42.300 42.059 0.098 0.000 1.186 199 L HN 0.307 nan 8.230 nan 0.000 0.436 200 R N 2.159 122.823 120.500 0.275 0.000 2.725 200 R HA 0.682 5.021 4.340 -0.000 0.000 0.277 200 R C -1.516 174.907 176.300 0.205 0.000 0.987 200 R CA -0.860 55.366 56.100 0.210 0.000 0.901 200 R CB 1.652 32.065 30.300 0.189 0.000 1.207 200 R HN 0.183 nan 8.270 nan 0.000 0.463 201 V N 3.885 123.869 119.914 0.116 0.000 2.508 201 V HA 0.164 4.284 4.120 -0.000 0.000 0.281 201 V C 0.434 176.600 176.094 0.121 0.000 1.041 201 V CA -0.484 61.874 62.300 0.097 0.000 1.016 201 V CB 0.926 32.774 31.823 0.041 0.000 0.984 201 V HN 0.591 nan 8.190 nan 0.000 0.478 202 L N 5.658 126.967 121.223 0.144 0.000 2.433 202 L HA 0.196 4.536 4.340 -0.000 0.000 0.284 202 L C 0.966 177.898 176.870 0.103 0.000 1.120 202 L CA 0.032 54.967 54.840 0.159 0.000 0.879 202 L CB 0.590 42.763 42.059 0.191 0.000 1.232 202 L HN 0.887 nan 8.230 nan 0.000 0.454 203 S N 0.927 116.666 115.700 0.065 0.000 2.549 203 S HA 0.024 4.494 4.470 -0.000 0.000 0.286 203 S C 1.267 175.860 174.600 -0.011 0.000 1.314 203 S CA -0.479 57.725 58.200 0.007 0.000 1.062 203 S CB 1.196 64.403 63.200 0.012 0.000 0.865 203 S HN 0.627 nan 8.310 nan 0.000 0.498 204 T N 3.260 117.743 114.554 -0.118 0.000 2.635 204 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 204 T C 1.557 176.233 174.700 -0.040 0.000 1.040 204 T CA 2.159 64.170 62.100 -0.149 0.000 1.156 204 T CB -0.741 67.948 68.868 -0.299 0.000 0.863 204 T HN 0.870 nan 8.240 nan 0.000 0.430 205 E N 0.745 120.923 120.200 -0.037 0.000 2.169 205 E HA -0.257 4.093 4.350 -0.000 0.000 0.202 205 E C 2.196 178.806 176.600 0.017 0.000 1.016 205 E CA 1.467 57.863 56.400 -0.007 0.000 0.817 205 E CB -0.153 29.546 29.700 -0.001 0.000 0.736 205 E HN 0.620 nan 8.360 nan 0.000 0.462 206 E N 0.280 120.500 120.200 0.034 0.000 2.021 206 E HA -0.155 4.195 4.350 -0.000 0.000 0.189 206 E C 2.118 178.774 176.600 0.093 0.000 0.980 206 E CA 0.563 57.000 56.400 0.062 0.000 0.803 206 E CB 0.128 29.872 29.700 0.073 0.000 0.766 206 E HN 0.095 nan 8.360 nan 0.000 0.449 207 I N 1.906 122.541 120.570 0.107 0.000 2.087 207 I HA -0.336 3.834 4.170 -0.000 0.000 0.240 207 I C 2.740 178.891 176.117 0.058 0.000 1.054 207 I CA 1.265 62.646 61.300 0.136 0.000 1.311 207 I CB -1.325 36.735 38.000 0.100 0.000 1.024 207 I HN 0.375 nan 8.210 nan 0.000 0.402 208 L N 0.696 121.886 121.223 -0.055 0.000 2.034 208 L HA -0.334 4.006 4.340 -0.000 0.000 0.217 208 L C 2.558 179.449 176.870 0.034 0.000 1.077 208 L CA 1.968 56.761 54.840 -0.079 0.000 0.769 208 L CB -0.434 41.603 42.059 -0.037 0.000 0.890 208 L HN 0.425 nan 8.230 nan 0.000 0.435 209 N N 0.519 119.246 118.700 0.045 0.000 2.028 209 N HA -0.226 4.514 4.740 -0.000 0.000 0.194 209 N C 1.890 177.447 175.510 0.078 0.000 1.050 209 N CA 2.195 55.253 53.050 0.014 0.000 0.848 209 N CB -0.275 38.229 38.487 0.029 0.000 1.038 209 N HN 0.402 nan 8.380 nan 0.000 0.423 210 I N 0.482 121.166 120.570 0.190 0.000 2.229 210 I HA -0.317 3.853 4.170 -0.000 0.000 0.250 210 I C 1.934 178.181 176.117 0.217 0.000 1.096 210 I CA 1.223 62.654 61.300 0.218 0.000 1.358 210 I CB -0.451 37.688 38.000 0.232 0.000 1.047 210 I HN 0.058 nan 8.210 nan 0.000 0.422 211 F N 1.088 121.035 119.950 -0.005 0.000 2.084 211 F HA -0.140 4.387 4.527 -0.000 0.000 0.296 211 F C 2.499 178.279 175.800 -0.034 0.000 1.111 211 F CA 1.284 59.271 58.000 -0.021 0.000 1.224 211 F CB -0.845 38.126 39.000 -0.048 0.000 0.991 211 F HN -0.123 nan 8.300 nan 0.000 0.471 212 K N -0.733 119.726 120.400 0.097 0.000 2.127 212 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 212 K C 1.705 178.258 176.600 -0.078 0.000 1.047 212 K CA 1.598 57.846 56.287 -0.064 0.000 0.927 212 K CB -0.322 32.051 32.500 -0.213 0.000 0.716 212 K HN 0.321 nan 8.250 nan 0.000 0.450 213 H N -0.112 118.971 119.070 0.021 0.000 2.548 213 H HA 0.143 4.699 4.556 -0.000 0.000 0.265 213 H C 0.537 175.806 175.328 -0.099 0.000 0.969 213 H CA 0.133 56.161 56.048 -0.034 0.000 1.155 213 H CB -0.126 29.630 29.762 -0.011 0.000 1.394 213 H HN 0.097 nan 8.280 nan 0.000 0.570 214 I N 1.844 122.407 120.570 -0.012 0.000 2.815 214 I HA -0.122 4.048 4.170 -0.000 0.000 0.291 214 I C 1.214 177.127 176.117 -0.340 0.000 1.209 214 I CA 0.138 61.352 61.300 -0.142 0.000 1.431 214 I CB 0.473 38.388 38.000 -0.143 0.000 1.351 214 I HN 0.125 nan 8.210 nan 0.000 0.585 215 S N 4.875 120.388 115.700 -0.313 0.000 2.576 215 S HA 0.076 4.546 4.470 -0.000 0.000 0.272 215 S C 1.153 175.355 174.600 -0.664 0.000 1.352 215 S CA -0.790 57.185 58.200 -0.374 0.000 1.021 215 S CB 1.297 64.371 63.200 -0.210 0.000 0.887 215 S HN 0.384 nan 8.310 nan 0.000 0.542 216 V N 3.596 123.187 119.914 -0.537 0.000 2.295 216 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 216 V C 2.524 178.467 176.094 -0.251 0.000 1.049 216 V CA 2.051 64.047 62.300 -0.507 0.000 1.024 216 V CB -0.883 30.806 31.823 -0.223 0.000 0.648 216 V HN 0.886 nan 8.190 nan 0.000 0.447 217 K N -0.431 119.877 120.400 -0.153 0.000 2.366 217 K HA -0.076 4.244 4.320 -0.000 0.000 0.198 217 K C 1.673 178.254 176.600 -0.030 0.000 1.044 217 K CA 0.793 57.048 56.287 -0.053 0.000 0.973 217 K CB -0.123 32.350 32.500 -0.045 0.000 0.767 217 K HN 0.468 nan 8.250 nan 0.000 0.475 218 D N 0.602 120.942 120.400 -0.100 0.000 2.137 218 D HA -0.049 4.591 4.640 -0.000 0.000 0.202 218 D C 1.633 177.972 176.300 0.066 0.000 0.970 218 D CA 0.750 54.721 54.000 -0.049 0.000 0.837 218 D CB -0.100 40.629 40.800 -0.119 0.000 0.981 218 D HN 0.095 nan 8.370 nan 0.000 0.475 219 F N 1.431 121.339 119.950 -0.070 0.000 2.007 219 F HA -0.309 4.218 4.527 -0.000 0.000 0.298 219 F C 2.743 178.581 175.800 0.064 0.000 1.197 219 F CA 1.190 59.141 58.000 -0.082 0.000 1.195 219 F CB -0.767 38.207 39.000 -0.043 0.000 0.951 219 F HN -0.063 nan 8.300 nan 0.000 0.512 220 T N 0.315 115.082 114.554 0.355 0.000 2.624 220 T HA -0.330 4.020 4.350 -0.000 0.000 0.266 220 T C 1.952 176.763 174.700 0.185 0.000 1.050 220 T CA 2.303 64.541 62.100 0.230 0.000 1.163 220 T CB -0.831 68.132 68.868 0.158 0.000 0.861 220 T HN 0.449 nan 8.240 nan 0.000 0.443 221 S N 1.420 117.209 115.700 0.147 0.000 2.372 221 S HA -0.106 4.364 4.470 -0.000 0.000 0.227 221 S C 0.959 175.673 174.600 0.189 0.000 1.044 221 S CA 0.881 59.158 58.200 0.128 0.000 1.050 221 S CB -0.844 62.409 63.200 0.089 0.000 0.901 221 S HN 0.459 nan 8.310 nan 0.000 0.447 222 L N 1.799 123.174 121.223 0.253 0.000 2.350 222 L HA 0.459 4.799 4.340 -0.000 0.000 0.275 222 L C 1.225 178.313 176.870 0.363 0.000 1.099 222 L CA -0.431 54.644 54.840 0.391 0.000 0.808 222 L CB 0.368 42.683 42.059 0.426 0.000 1.149 222 L HN 0.334 nan 8.230 nan 0.000 0.442 223 G N 2.843 111.774 108.800 0.219 0.000 2.554 223 G HA2 0.006 3.966 3.960 -0.000 0.000 0.280 223 G HA3 0.006 3.966 3.960 -0.000 0.000 0.280 223 G C -0.427 174.294 174.900 -0.300 0.000 0.635 223 G CA 0.296 45.361 45.100 -0.058 0.000 2.103 223 G HN 0.254 nan 8.290 nan 0.000 0.551 224 F N -0.818 119.092 119.950 -0.066 0.000 2.790 224 F HA 0.564 5.091 4.527 -0.000 0.000 0.337 224 F C 0.027 175.811 175.800 -0.028 0.000 1.163 224 F CA -1.497 56.450 58.000 -0.088 0.000 0.997 224 F CB 2.218 41.123 39.000 -0.160 0.000 1.437 224 F HN 0.143 nan 8.300 nan 0.000 0.512 225 N N 0.049 118.856 118.700 0.177 0.000 2.533 225 N HA 0.131 4.871 4.740 -0.000 0.000 0.289 225 N C 0.155 175.718 175.510 0.088 0.000 1.103 225 N CA -0.206 52.907 53.050 0.104 0.000 0.877 225 N CB 1.283 39.816 38.487 0.076 0.000 1.419 225 N HN 0.682 nan 8.380 nan 0.000 0.517 226 E N 2.010 122.280 120.200 0.116 0.000 2.253 226 E HA -0.203 4.147 4.350 -0.000 0.000 0.202 226 E C 0.418 177.102 176.600 0.139 0.000 1.014 226 E CA 1.653 58.158 56.400 0.176 0.000 0.823 226 E CB 0.279 30.093 29.700 0.190 0.000 0.736 226 E HN 0.517 nan 8.360 nan 0.000 0.478 227 V N -1.176 118.723 119.914 -0.024 0.000 3.048 227 V HA 0.019 4.138 4.120 -0.000 0.000 0.241 227 V C 1.575 177.703 176.094 0.058 0.000 1.129 227 V CA 0.733 62.968 62.300 -0.109 0.000 1.128 227 V CB -0.216 31.255 31.823 -0.587 0.000 0.849 227 V HN 0.231 nan 8.190 nan 0.000 0.475 228 F N 0.931 120.952 119.950 0.118 0.000 2.694 228 F HA 0.255 4.782 4.527 -0.000 0.000 0.292 228 F C 0.947 176.770 175.800 0.038 0.000 1.121 228 F CA 0.427 58.426 58.000 -0.002 0.000 1.352 228 F CB 0.674 39.660 39.000 -0.023 0.000 1.107 228 F HN 0.240 nan 8.300 nan 0.000 0.597 229 S N 0.538 116.483 115.700 0.409 0.000 2.397 229 S HA 0.399 4.869 4.470 -0.000 0.000 0.190 229 S C -0.859 174.033 174.600 0.486 0.000 1.100 229 S CA -0.847 57.631 58.200 0.464 0.000 1.150 229 S CB 0.493 63.807 63.200 0.191 0.000 1.302 229 S HN 0.089 nan 8.310 nan 0.000 0.417 230 R N 2.567 123.342 120.500 0.459 0.000 2.308 230 R HA 0.352 4.692 4.340 -0.000 0.000 0.305 230 R C -1.948 174.142 176.300 -0.351 0.000 1.053 230 R CA -2.182 53.535 56.100 -0.639 0.000 0.957 230 R CB 0.551 30.000 30.300 -1.418 0.000 1.022 230 R HN 0.287 nan 8.270 nan 0.000 0.461 231 P HA -0.309 nan 4.420 nan 0.000 0.218 231 P C 0.745 178.058 177.300 0.022 0.000 1.154 231 P CA 1.537 64.387 63.100 -0.417 0.000 0.872 231 P CB 0.079 31.334 31.700 -0.741 0.000 0.790 232 E N -1.789 118.351 120.200 -0.100 0.000 2.393 232 E HA -0.213 4.137 4.350 -0.000 0.000 0.201 232 E C 1.052 177.596 176.600 -0.093 0.000 1.025 232 E CA 0.824 57.162 56.400 -0.103 0.000 0.856 232 E CB -0.901 28.663 29.700 -0.228 0.000 0.771 232 E HN 0.376 nan 8.360 nan 0.000 0.526 233 W N 0.293 121.627 121.300 0.057 0.000 3.197 233 W HA 0.300 4.960 4.660 -0.000 0.000 0.274 233 W C 1.555 178.157 176.519 0.138 0.000 1.297 233 W CA -0.130 57.268 57.345 0.089 0.000 1.662 233 W CB -0.117 29.402 29.460 0.098 0.000 1.106 233 W HN 0.150 nan 8.180 nan 0.000 0.663 234 M N -0.232 119.570 119.600 0.337 0.000 2.557 234 M HA 0.012 4.492 4.480 -0.000 0.000 0.259 234 M C 0.427 176.923 176.300 0.326 0.000 1.086 234 M CA 1.200 56.758 55.300 0.429 0.000 1.096 234 M CB -0.075 32.664 32.600 0.231 0.000 1.424 234 M HN -0.324 nan 8.290 nan 0.000 0.488 235 I N 1.640 122.333 120.570 0.205 0.000 2.339 235 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 235 I C -0.442 175.775 176.117 0.167 0.000 0.994 235 I CA -0.615 60.796 61.300 0.185 0.000 1.191 235 I CB 1.341 39.392 38.000 0.085 0.000 1.343 235 I HN 0.046 nan 8.210 nan 0.000 0.458 236 L N 6.780 128.092 121.223 0.149 0.000 2.369 236 L HA 0.220 4.560 4.340 -0.000 0.000 0.279 236 L C 0.844 177.765 176.870 0.085 0.000 1.108 236 L CA 0.034 54.939 54.840 0.108 0.000 0.852 236 L CB 0.343 42.456 42.059 0.088 0.000 1.169 236 L HN 0.681 nan 8.230 nan 0.000 0.452 237 T N 0.505 115.116 114.554 0.096 0.000 3.056 237 T HA 0.031 4.381 4.350 -0.000 0.000 0.241 237 T C 0.317 175.055 174.700 0.063 0.000 1.006 237 T CA 0.198 62.344 62.100 0.077 0.000 1.115 237 T CB 0.358 69.286 68.868 0.101 0.000 0.939 237 T HN 0.626 nan 8.240 nan 0.000 0.462 238 C N 2.059 121.403 119.300 0.074 0.000 2.507 238 C HA 0.821 5.281 4.460 -0.000 0.000 0.319 238 C C -1.320 173.693 174.990 0.037 0.000 1.208 238 C CA -1.132 57.922 59.018 0.060 0.000 1.619 238 C CB 0.362 28.159 27.740 0.094 0.000 2.230 238 C HN 0.402 nan 8.230 nan 0.000 0.492 239 L N 8.161 129.397 121.223 0.022 0.000 2.305 239 L HA 0.618 4.958 4.340 -0.000 0.000 0.284 239 L C -2.080 174.819 176.870 0.049 0.000 1.013 239 L CA -1.935 52.921 54.840 0.026 0.000 0.819 239 L CB 1.834 43.894 42.059 0.001 0.000 1.227 239 L HN 0.539 nan 8.230 nan 0.000 0.417 240 P HA 0.083 nan 4.420 nan 0.000 0.271 240 P C -0.928 176.514 177.300 0.237 0.000 1.216 240 P CA -0.118 63.066 63.100 0.142 0.000 0.776 240 P CB 1.195 32.913 31.700 0.029 0.000 0.881 241 V N 5.405 125.447 119.914 0.213 0.000 2.239 241 V HA 0.190 4.310 4.120 -0.000 0.000 0.267 241 V C -1.778 174.157 176.094 -0.264 0.000 1.056 241 V CA -2.063 60.254 62.300 0.029 0.000 0.830 241 V CB 0.632 32.457 31.823 0.003 0.000 1.090 241 V HN 0.567 nan 8.190 nan 0.000 0.459 242 P HA 0.047 nan 4.420 nan 0.000 0.263 242 P C -2.545 174.463 177.300 -0.486 0.000 1.168 242 P CA -0.450 62.161 63.100 -0.815 0.000 0.759 242 P CB 0.195 31.719 31.700 -0.293 0.000 0.782 243 P HA 0.151 nan 4.420 nan 0.000 0.277 243 P C -1.783 175.417 177.300 -0.166 0.000 1.240 243 P CA -1.801 61.142 63.100 -0.261 0.000 0.798 243 P CB -0.131 31.431 31.700 -0.230 0.000 0.979 244 P HA -0.235 nan 4.420 nan 0.000 0.218 244 P C -1.179 176.075 177.300 -0.078 0.000 1.018 244 P CA 2.881 65.934 63.100 -0.077 0.000 1.016 244 P CB -2.558 29.109 31.700 -0.054 0.000 0.748 245 P HA -0.127 nan 4.420 nan 0.000 0.221 245 P C 1.460 178.725 177.300 -0.058 0.000 1.140 245 P CA 1.155 64.219 63.100 -0.059 0.000 0.797 245 P CB -0.427 31.241 31.700 -0.053 0.000 0.756 246 V N -0.984 118.884 119.914 -0.077 0.000 2.949 246 V HA 0.008 4.128 4.120 -0.000 0.000 0.245 246 V C 1.419 177.479 176.094 -0.056 0.000 1.086 246 V CA 1.007 63.270 62.300 -0.062 0.000 1.097 246 V CB -0.492 31.281 31.823 -0.084 0.000 0.762 246 V HN 0.193 nan 8.190 nan 0.000 0.470 247 R N 1.239 121.699 120.500 -0.067 0.000 2.782 247 R HA 0.349 4.689 4.340 -0.000 0.000 0.293 247 R C -2.946 173.307 176.300 -0.079 0.000 1.333 247 R CA -1.400 54.660 56.100 -0.066 0.000 1.479 247 R CB 0.076 30.343 30.300 -0.054 0.000 1.306 247 R HN 0.242 nan 8.270 nan 0.000 0.654 248 P HA -0.057 nan 4.420 nan 0.000 0.271 248 P C 0.035 177.276 177.300 -0.097 0.000 1.238 248 P CA 0.167 63.221 63.100 -0.077 0.000 0.794 248 P CB 1.091 32.752 31.700 -0.065 0.000 0.959 249 S N 0.200 115.838 115.700 -0.104 0.000 2.521 249 S HA 0.645 5.114 4.470 -0.000 0.000 0.278 249 S C 0.167 174.677 174.600 -0.151 0.000 1.140 249 S CA -0.686 57.433 58.200 -0.135 0.000 1.028 249 S CB 0.426 63.545 63.200 -0.134 0.000 1.203 249 S HN 0.463 nan 8.310 nan 0.000 0.491 250 I N 1.489 121.924 120.570 -0.225 0.000 2.612 250 I HA 0.148 4.318 4.170 -0.000 0.000 0.273 250 I C -0.966 174.789 176.117 -0.602 0.000 1.266 250 I CA -0.249 60.877 61.300 -0.291 0.000 1.125 250 I CB 1.806 39.688 38.000 -0.196 0.000 1.382 250 I HN 0.777 nan 8.210 nan 0.000 0.463 251 S N 4.497 119.925 115.700 -0.453 0.000 2.499 251 S HA 0.558 5.028 4.470 -0.000 0.000 0.279 251 S C -0.319 174.032 174.600 -0.415 0.000 1.219 251 S CA -0.498 57.402 58.200 -0.500 0.000 1.062 251 S CB 0.511 63.575 63.200 -0.228 0.000 0.978 251 S HN 0.407 nan 8.310 nan 0.000 0.489 252 F N 3.292 123.240 119.950 -0.004 0.000 2.759 252 F HA 0.375 4.902 4.527 -0.000 0.000 0.322 252 F C 1.246 177.045 175.800 -0.001 0.000 1.199 252 F CA -0.819 57.179 58.000 -0.002 0.000 1.272 252 F CB -0.914 38.086 39.000 0.000 0.000 1.467 252 F HN 0.697 nan 8.300 nan 0.000 0.561 253 N N 0.292 119.037 118.700 0.075 0.000 3.888 253 N HA -0.234 4.506 4.740 -0.000 0.000 0.236 253 N C 0.681 176.198 175.510 0.012 0.000 0.326 253 N CA 1.643 54.719 53.050 0.043 0.000 2.720 253 N CB -0.533 37.992 38.487 0.064 0.000 1.517 253 N HN 0.460 nan 8.380 nan 0.000 0.311 254 E N 0.210 120.428 120.200 0.029 0.000 4.381 254 E HA 0.240 4.590 4.350 -0.000 0.000 0.212 254 E C -0.162 176.454 176.600 0.027 0.000 1.112 254 E CA 0.317 56.724 56.400 0.012 0.000 0.938 254 E CB -0.003 29.704 29.700 0.012 0.000 2.387 254 E HN 0.412 nan 8.360 nan 0.000 0.486 255 S N 1.449 117.167 115.700 0.031 0.000 3.324 255 S HA -0.222 4.248 4.470 -0.000 0.000 0.131 255 S C 0.034 174.673 174.600 0.065 0.000 0.332 255 S CA 0.831 59.054 58.200 0.039 0.000 1.507 255 S CB -0.947 62.274 63.200 0.035 0.000 0.746 255 S HN 0.279 nan 8.310 nan 0.000 0.285 256 Q N -0.343 119.498 119.800 0.069 0.000 2.816 256 Q HA 0.553 4.893 4.340 -0.000 0.000 0.351 256 Q C 0.048 176.083 176.000 0.057 0.000 0.761 256 Q CA -1.286 54.589 55.803 0.119 0.000 0.852 256 Q CB 1.208 30.110 28.738 0.274 0.000 1.280 256 Q HN 0.376 nan 8.270 nan 0.000 0.513 257 R N -1.152 119.391 120.500 0.072 0.000 3.006 257 R HA 0.750 5.090 4.340 -0.000 0.000 0.150 257 R C -0.126 176.071 176.300 -0.172 0.000 1.285 257 R CA -0.095 56.005 56.100 -0.000 0.000 0.813 257 R CB 0.527 30.880 30.300 0.088 0.000 1.582 257 R HN 0.802 nan 8.270 nan 0.000 0.441 258 G N 0.645 109.376 108.800 -0.116 0.000 2.363 258 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.213 258 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.213 258 G C -0.620 174.176 174.900 -0.173 0.000 1.028 258 G CA -0.598 44.369 45.100 -0.223 0.000 0.822 258 G HN 0.177 nan 8.290 nan 0.000 0.536 259 E N 1.277 121.387 120.200 -0.151 0.000 2.373 259 E HA 0.225 4.575 4.350 -0.000 0.000 0.267 259 E C -0.167 176.160 176.600 -0.455 0.000 1.032 259 E CA -0.232 56.009 56.400 -0.264 0.000 0.889 259 E CB 1.230 30.805 29.700 -0.209 0.000 0.984 259 E HN 0.375 nan 8.360 nan 0.000 0.425 260 D N 1.594 121.768 120.400 -0.377 0.000 2.304 260 D HA -0.011 4.629 4.640 -0.000 0.000 0.247 260 D C 0.337 176.379 176.300 -0.430 0.000 1.089 260 D CA -0.291 53.512 54.000 -0.329 0.000 0.910 260 D CB 0.959 41.651 40.800 -0.180 0.000 1.199 260 D HN 0.212 nan 8.370 nan 0.000 0.426 261 D N 1.980 122.206 120.400 -0.290 0.000 2.204 261 D HA -0.235 4.405 4.640 -0.000 0.000 0.189 261 D C 1.963 178.229 176.300 -0.056 0.000 1.006 261 D CA 1.662 55.562 54.000 -0.168 0.000 0.855 261 D CB 0.009 40.778 40.800 -0.052 0.000 0.946 261 D HN 0.403 nan 8.370 nan 0.000 0.448 262 L N 0.073 121.286 121.223 -0.016 0.000 1.971 262 L HA -0.225 4.115 4.340 -0.000 0.000 0.215 262 L C 2.455 179.374 176.870 0.081 0.000 1.072 262 L CA 1.633 56.529 54.840 0.093 0.000 0.758 262 L CB -0.946 41.173 42.059 0.100 0.000 0.889 262 L HN 0.115 nan 8.230 nan 0.000 0.433 263 T N -0.374 114.178 114.554 -0.004 0.000 2.882 263 T HA -0.234 4.116 4.350 -0.000 0.000 0.268 263 T C 1.489 176.307 174.700 0.198 0.000 1.104 263 T CA 1.420 63.535 62.100 0.025 0.000 1.118 263 T CB -0.329 68.508 68.868 -0.053 0.000 0.831 263 T HN 0.257 nan 8.240 nan 0.000 0.529 264 F N 0.433 120.375 119.950 -0.014 0.000 2.243 264 F HA 0.069 4.596 4.527 -0.000 0.000 0.287 264 F C 2.326 178.083 175.800 -0.073 0.000 1.067 264 F CA 0.099 58.080 58.000 -0.033 0.000 1.304 264 F CB 0.060 39.048 39.000 -0.018 0.000 1.087 264 F HN -0.058 nan 8.300 nan 0.000 0.513 265 K N 1.012 121.504 120.400 0.153 0.000 2.218 265 K HA -0.161 4.159 4.320 -0.000 0.000 0.205 265 K C 1.743 178.264 176.600 -0.131 0.000 1.046 265 K CA 0.994 57.274 56.287 -0.013 0.000 0.933 265 K CB -0.603 31.964 32.500 0.111 0.000 0.728 265 K HN 0.269 nan 8.250 nan 0.000 0.454 266 L N -0.429 120.731 121.223 -0.105 0.000 2.005 266 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 266 L C 2.382 179.196 176.870 -0.092 0.000 1.072 266 L CA 1.277 56.009 54.840 -0.181 0.000 0.744 266 L CB -0.827 41.156 42.059 -0.127 0.000 0.895 266 L HN 0.192 nan 8.230 nan 0.000 0.433 267 A N 0.135 122.945 122.820 -0.016 0.000 1.940 267 A HA -0.312 4.008 4.320 -0.000 0.000 0.221 267 A C 1.945 179.496 177.584 -0.054 0.000 1.190 267 A CA 2.457 54.487 52.037 -0.011 0.000 0.647 267 A CB -0.674 18.340 19.000 0.022 0.000 0.821 267 A HN 0.437 nan 8.150 nan 0.000 0.457 268 D N -0.382 119.952 120.400 -0.111 0.000 2.085 268 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 268 D C 1.990 178.292 176.300 0.004 0.000 0.981 268 D CA 1.194 55.109 54.000 -0.140 0.000 0.834 268 D CB -0.422 40.032 40.800 -0.578 0.000 0.992 268 D HN 0.487 nan 8.370 nan 0.000 0.457 269 I N 0.886 121.426 120.570 -0.051 0.000 2.185 269 I HA -0.287 3.883 4.170 -0.000 0.000 0.246 269 I C 2.367 178.491 176.117 0.013 0.000 1.088 269 I CA 0.600 61.921 61.300 0.034 0.000 1.347 269 I CB -0.161 37.780 38.000 -0.097 0.000 1.041 269 I HN 0.066 nan 8.210 nan 0.000 0.415 270 L N 1.063 122.268 121.223 -0.030 0.000 1.943 270 L HA -0.238 4.102 4.340 -0.000 0.000 0.215 270 L C 2.406 179.273 176.870 -0.006 0.000 1.074 270 L CA 1.944 56.767 54.840 -0.027 0.000 0.759 270 L CB -1.057 40.986 42.059 -0.027 0.000 0.888 270 L HN 0.119 nan 8.230 nan 0.000 0.433 271 K N -0.390 120.012 120.400 0.004 0.000 1.998 271 K HA -0.293 4.027 4.320 -0.000 0.000 0.228 271 K C 1.914 178.530 176.600 0.025 0.000 1.053 271 K CA 2.209 58.502 56.287 0.010 0.000 0.988 271 K CB -0.899 31.613 32.500 0.020 0.000 0.735 271 K HN 0.520 nan 8.250 nan 0.000 0.448 272 A N 1.262 124.126 122.820 0.075 0.000 2.148 272 A HA -0.287 4.033 4.320 -0.000 0.000 0.222 272 A C 1.832 179.433 177.584 0.029 0.000 1.161 272 A CA 2.248 54.324 52.037 0.065 0.000 0.662 272 A CB -0.781 18.294 19.000 0.125 0.000 0.799 272 A HN 0.461 nan 8.150 nan 0.000 0.466 273 N N -0.247 118.465 118.700 0.020 0.000 2.176 273 N HA -0.001 4.739 4.740 -0.000 0.000 0.187 273 N C 1.547 177.049 175.510 -0.014 0.000 1.043 273 N CA 1.447 54.496 53.050 -0.002 0.000 0.851 273 N CB -0.297 38.181 38.487 -0.015 0.000 1.018 273 N HN 0.402 nan 8.380 nan 0.000 0.436 274 I N 0.695 121.250 120.570 -0.025 0.000 2.087 274 I HA -0.389 3.781 4.170 -0.000 0.000 0.240 274 I C 2.462 178.565 176.117 -0.024 0.000 1.054 274 I CA 1.741 63.020 61.300 -0.035 0.000 1.311 274 I CB -0.840 37.126 38.000 -0.057 0.000 1.024 274 I HN 0.366 nan 8.210 nan 0.000 0.402 275 S N 1.407 117.095 115.700 -0.020 0.000 2.381 275 S HA -0.303 4.167 4.470 -0.000 0.000 0.230 275 S C 2.021 176.612 174.600 -0.016 0.000 1.052 275 S CA 1.943 60.133 58.200 -0.018 0.000 1.068 275 S CB -1.066 62.126 63.200 -0.014 0.000 0.918 275 S HN 0.393 nan 8.310 nan 0.000 0.448 276 L N 2.051 123.265 121.223 -0.014 0.000 1.955 276 L HA -0.089 4.251 4.340 -0.000 0.000 0.213 276 L C 2.763 179.625 176.870 -0.013 0.000 1.072 276 L CA 2.665 57.496 54.840 -0.016 0.000 0.755 276 L CB -1.091 40.959 42.059 -0.015 0.000 0.888 276 L HN 0.594 nan 8.230 nan 0.000 0.432 277 E N -1.115 119.084 120.200 -0.001 0.000 2.086 277 E HA -0.303 4.047 4.350 -0.000 0.000 0.205 277 E C 1.522 178.156 176.600 0.056 0.000 1.027 277 E CA 2.169 58.589 56.400 0.032 0.000 0.830 277 E CB -0.284 29.438 29.700 0.036 0.000 0.751 277 E HN 0.583 nan 8.360 nan 0.000 0.456 278 T N 0.920 115.490 114.554 0.027 0.000 3.320 278 T HA 0.005 4.355 4.350 -0.000 0.000 0.258 278 T C 1.359 176.064 174.700 0.010 0.000 1.176 278 T CA 0.342 62.458 62.100 0.026 0.000 1.037 278 T CB -0.002 68.864 68.868 -0.003 0.000 0.958 278 T HN 0.194 nan 8.240 nan 0.000 0.545 279 L N -0.329 120.888 121.223 -0.011 0.000 2.577 279 L HA 0.249 4.589 4.340 -0.000 0.000 0.225 279 L C 2.023 178.847 176.870 -0.077 0.000 1.053 279 L CA 0.484 55.300 54.840 -0.040 0.000 0.866 279 L CB 0.112 42.145 42.059 -0.044 0.000 1.132 279 L HN 0.199 nan 8.230 nan 0.000 0.486 280 E N -0.453 119.680 120.200 -0.113 0.000 2.502 280 E HA -0.037 4.313 4.350 -0.000 0.000 0.194 280 E C 0.343 176.701 176.600 -0.404 0.000 1.062 280 E CA 0.307 56.564 56.400 -0.238 0.000 0.867 280 E CB 0.269 29.809 29.700 -0.267 0.000 0.888 280 E HN 0.432 nan 8.360 nan 0.000 0.510 281 H N -0.582 118.463 119.070 -0.042 0.000 2.750 281 H HA 0.335 4.891 4.556 -0.000 0.000 0.252 281 H C -0.064 175.238 175.328 -0.042 0.000 1.176 281 H CA -0.128 55.897 56.048 -0.038 0.000 0.987 281 H CB 0.471 30.214 29.762 -0.032 0.000 1.810 281 H HN 0.035 nan 8.280 nan 0.000 0.630 282 N N -0.752 117.958 118.700 0.016 0.000 3.522 282 N HA 0.119 4.859 4.740 -0.000 0.000 0.328 282 N C 0.269 175.748 175.510 -0.053 0.000 1.623 282 N CA -0.437 52.607 53.050 -0.009 0.000 0.812 282 N CB 0.573 39.057 38.487 -0.005 0.000 2.008 282 N HN 0.169 nan 8.380 nan 0.000 0.601 283 G N 0.444 109.212 108.800 -0.052 0.000 2.515 283 G HA2 0.313 4.273 3.960 -0.000 0.000 0.290 283 G HA3 0.313 4.273 3.960 -0.000 0.000 0.290 283 G C -0.032 174.806 174.900 -0.102 0.000 0.795 283 G CA 0.183 45.239 45.100 -0.074 0.000 1.866 283 G HN 0.529 nan 8.290 nan 0.000 0.476 284 A N 5.591 128.317 122.820 -0.157 0.000 2.923 284 A HA 0.529 4.849 4.320 -0.000 0.000 0.306 284 A C -1.360 176.045 177.584 -0.299 0.000 1.542 284 A CA -1.416 50.494 52.037 -0.211 0.000 1.225 284 A CB 0.423 19.274 19.000 -0.249 0.000 1.147 284 A HN 0.488 nan 8.150 nan 0.000 0.542 285 P HA -0.028 nan 4.420 nan 0.000 0.235 285 P C 0.662 177.882 177.300 -0.133 0.000 1.720 285 P CA 0.143 63.150 63.100 -0.155 0.000 1.003 285 P CB -0.468 31.191 31.700 -0.069 0.000 1.968 286 H N 1.078 120.039 119.070 -0.182 0.000 1.453 286 H HA -0.246 4.310 4.556 -0.000 0.000 0.090 286 H C 0.603 175.727 175.328 -0.340 0.000 1.310 286 H CA 2.306 58.143 56.048 -0.352 0.000 1.901 286 H CB -1.368 28.045 29.762 -0.582 0.000 2.257 286 H HN 0.608 nan 8.280 nan 0.000 0.961 287 H N -0.204 118.942 119.070 0.127 0.000 2.550 287 H HA 0.575 5.130 4.556 -0.000 0.000 0.304 287 H C 0.975 176.318 175.328 0.024 0.000 1.086 287 H CA 0.661 56.742 56.048 0.056 0.000 1.089 287 H CB 0.165 29.953 29.762 0.044 0.000 1.528 287 H HN 0.471 nan 8.280 nan 0.000 0.539 288 A N 0.055 122.923 122.820 0.079 0.000 2.470 288 A HA 0.266 4.586 4.320 -0.000 0.000 0.251 288 A C 1.657 179.251 177.584 0.017 0.000 1.245 288 A CA -0.133 51.926 52.037 0.037 0.000 0.932 288 A CB 0.113 19.118 19.000 0.008 0.000 1.037 288 A HN 0.264 nan 8.150 nan 0.000 0.522 289 I N -0.090 120.498 120.570 0.030 0.000 2.729 289 I HA -0.068 4.102 4.170 -0.000 0.000 0.256 289 I C 1.954 178.084 176.117 0.023 0.000 1.115 289 I CA 0.760 62.068 61.300 0.012 0.000 1.446 289 I CB -0.017 37.985 38.000 0.004 0.000 1.176 289 I HN 0.499 nan 8.210 nan 0.000 0.446 290 E N 1.379 121.614 120.200 0.058 0.000 2.527 290 E HA -0.178 4.172 4.350 -0.000 0.000 0.204 290 E C 0.867 177.474 176.600 0.011 0.000 1.132 290 E CA 0.656 57.078 56.400 0.038 0.000 0.905 290 E CB -0.249 29.487 29.700 0.059 0.000 0.875 290 E HN 0.589 nan 8.360 nan 0.000 0.548 291 E N 0.017 120.221 120.200 0.006 0.000 2.473 291 E HA 0.167 4.517 4.350 -0.000 0.000 0.204 291 E C 1.220 177.801 176.600 -0.032 0.000 0.994 291 E CA 0.415 56.807 56.400 -0.013 0.000 0.945 291 E CB 0.734 30.430 29.700 -0.007 0.000 0.990 291 E HN 0.346 nan 8.360 nan 0.000 0.493 292 A N 0.584 123.388 122.820 -0.026 0.000 2.508 292 A HA 0.114 4.434 4.320 -0.000 0.000 0.250 292 A C 1.436 179.001 177.584 -0.031 0.000 1.208 292 A CA -0.228 51.787 52.037 -0.036 0.000 0.960 292 A CB 0.344 19.326 19.000 -0.030 0.000 1.099 292 A HN 0.046 nan 8.150 nan 0.000 0.542 293 E N 0.345 120.531 120.200 -0.024 0.000 2.431 293 E HA -0.043 4.307 4.350 -0.000 0.000 0.200 293 E C 1.618 178.202 176.600 -0.027 0.000 0.995 293 E CA 0.972 57.358 56.400 -0.024 0.000 0.915 293 E CB 0.289 29.976 29.700 -0.021 0.000 0.930 293 E HN 0.626 nan 8.360 nan 0.000 0.496 294 S N 0.398 116.082 115.700 -0.027 0.000 2.446 294 S HA -0.092 4.378 4.470 -0.000 0.000 0.225 294 S C 1.971 176.572 174.600 0.002 0.000 1.016 294 S CA 0.185 58.377 58.200 -0.013 0.000 0.943 294 S CB -0.138 63.051 63.200 -0.019 0.000 0.786 294 S HN 0.222 nan 8.310 nan 0.000 0.508 295 L N 0.769 121.962 121.223 -0.050 0.000 2.093 295 L HA 0.202 4.542 4.340 -0.000 0.000 0.208 295 L C 2.150 178.992 176.870 -0.047 0.000 1.085 295 L CA 1.271 56.044 54.840 -0.111 0.000 0.755 295 L CB -0.708 41.257 42.059 -0.156 0.000 0.904 295 L HN 0.370 nan 8.230 nan 0.000 0.435 296 L N -0.627 120.594 121.223 -0.003 0.000 2.044 296 L HA -0.156 4.184 4.340 -0.000 0.000 0.205 296 L C 2.559 179.470 176.870 0.069 0.000 1.075 296 L CA 1.926 56.790 54.840 0.040 0.000 0.747 296 L CB -0.839 41.230 42.059 0.017 0.000 0.903 296 L HN 0.462 nan 8.230 nan 0.000 0.435 297 Q N -0.959 118.867 119.800 0.044 0.000 2.197 297 Q HA -0.281 4.059 4.340 -0.000 0.000 0.207 297 Q C 2.015 178.077 176.000 0.103 0.000 0.984 297 Q CA 2.216 58.045 55.803 0.044 0.000 0.869 297 Q CB -0.671 28.063 28.738 -0.006 0.000 0.906 297 Q HN 0.535 nan 8.270 nan 0.000 0.426 298 F N -0.186 119.751 119.950 -0.021 0.000 2.022 298 F HA -0.154 4.373 4.527 -0.000 0.000 0.293 298 F C 2.060 177.917 175.800 0.094 0.000 1.142 298 F CA 2.339 60.337 58.000 -0.002 0.000 1.177 298 F CB -0.736 38.205 39.000 -0.098 0.000 0.982 298 F HN 0.240 nan 8.300 nan 0.000 0.473 299 H N -0.790 118.384 119.070 0.172 0.000 2.265 299 H HA -0.197 4.359 4.556 -0.000 0.000 0.295 299 H C 2.132 177.448 175.328 -0.021 0.000 1.084 299 H CA 1.654 57.724 56.048 0.035 0.000 1.261 299 H CB -0.538 29.306 29.762 0.138 0.000 1.360 299 H HN 0.165 nan 8.280 nan 0.000 0.487 300 V N 0.807 120.815 119.914 0.156 0.000 3.284 300 V HA -0.247 3.873 4.120 -0.000 0.000 0.273 300 V C 1.966 178.144 176.094 0.140 0.000 1.178 300 V CA 1.203 63.575 62.300 0.120 0.000 1.177 300 V CB -0.918 30.956 31.823 0.085 0.000 0.793 300 V HN 0.509 nan 8.190 nan 0.000 0.536 301 A N -0.865 121.979 122.820 0.040 0.000 1.941 301 A HA -0.041 4.279 4.320 -0.000 0.000 0.214 301 A C 2.279 179.824 177.584 -0.065 0.000 1.368 301 A CA 1.277 53.302 52.037 -0.021 0.000 0.651 301 A CB -0.977 17.974 19.000 -0.081 0.000 1.064 301 A HN 0.303 nan 8.150 nan 0.000 0.492 302 T N -0.872 113.543 114.554 -0.232 0.000 2.714 302 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 302 T C 1.682 176.373 174.700 -0.015 0.000 1.036 302 T CA 2.276 64.243 62.100 -0.222 0.000 1.148 302 T CB -0.547 68.034 68.868 -0.479 0.000 0.856 302 T HN 0.534 nan 8.240 nan 0.000 0.462 303 Y N 0.675 120.929 120.300 -0.077 0.000 2.207 303 Y HA -0.141 4.409 4.550 -0.000 0.000 0.287 303 Y C 2.086 177.985 175.900 -0.003 0.000 1.156 303 Y CA 1.597 59.682 58.100 -0.024 0.000 1.182 303 Y CB -0.318 38.142 38.460 0.001 0.000 0.979 303 Y HN 0.258 nan 8.280 nan 0.000 0.521 304 M N -0.991 118.570 119.600 -0.065 0.000 2.276 304 M HA 0.015 4.495 4.480 -0.000 0.000 0.262 304 M C -0.068 176.188 176.300 -0.074 0.000 1.098 304 M CA 0.988 56.192 55.300 -0.160 0.000 1.167 304 M CB 0.160 32.728 32.600 -0.053 0.000 1.337 304 M HN 0.012 nan 8.290 nan 0.000 0.446 305 D N -0.029 120.337 120.400 -0.056 0.000 2.505 305 D HA 0.215 4.855 4.640 -0.000 0.000 0.249 305 D C -1.095 175.172 176.300 -0.056 0.000 1.082 305 D CA -0.039 53.936 54.000 -0.043 0.000 0.839 305 D CB 1.256 42.039 40.800 -0.028 0.000 1.317 305 D HN -0.056 nan 8.370 nan 0.000 0.497 306 N N 2.402 121.078 118.700 -0.041 0.000 2.305 306 N HA 0.102 4.842 4.740 -0.000 0.000 0.248 306 N C -1.177 174.326 175.510 -0.011 0.000 1.290 306 N CA -0.092 52.940 53.050 -0.031 0.000 0.873 306 N CB 0.605 39.082 38.487 -0.016 0.000 1.261 306 N HN 0.340 nan 8.380 nan 0.000 0.504 307 D N 0.927 121.318 120.400 -0.014 0.000 2.938 307 D HA 0.243 4.883 4.640 -0.000 0.000 0.369 307 D C 0.474 176.772 176.300 -0.003 0.000 1.301 307 D CA -0.096 53.900 54.000 -0.006 0.000 0.805 307 D CB 1.114 41.904 40.800 -0.017 0.000 1.161 307 D HN 0.278 nan 8.370 nan 0.000 0.474 308 I N -0.168 120.406 120.570 0.006 0.000 3.562 308 I HA 0.301 4.471 4.170 -0.000 0.000 0.285 308 I C 1.895 178.026 176.117 0.023 0.000 1.211 308 I CA -0.642 60.665 61.300 0.012 0.000 0.887 308 I CB 0.637 38.647 38.000 0.017 0.000 1.581 308 I HN -0.076 nan 8.210 nan 0.000 0.735 309 A N 1.108 123.945 122.820 0.027 0.000 1.878 309 A HA 0.136 4.455 4.320 -0.000 0.000 0.213 309 A C 1.664 179.273 177.584 0.042 0.000 1.192 309 A CA 0.939 52.994 52.037 0.030 0.000 0.619 309 A CB -1.098 17.918 19.000 0.028 0.000 0.837 309 A HN 0.856 nan 8.150 nan 0.000 0.446 310 G N 0.118 108.951 108.800 0.055 0.000 2.734 310 G HA2 0.307 4.267 3.960 -0.000 0.000 0.287 310 G HA3 0.307 4.267 3.960 -0.000 0.000 0.287 310 G C 0.525 175.475 174.900 0.083 0.000 0.728 310 G CA 0.224 45.366 45.100 0.070 0.000 1.999 310 G HN 0.600 nan 8.290 nan 0.000 0.535 311 Q N 0.975 120.814 119.800 0.065 0.000 2.463 311 Q HA -0.255 4.085 4.340 -0.000 0.000 0.231 311 Q C -0.995 175.060 176.000 0.093 0.000 1.097 311 Q CA 2.001 57.843 55.803 0.065 0.000 0.992 311 Q CB -1.698 27.070 28.738 0.050 0.000 0.999 311 Q HN 0.472 nan 8.270 nan 0.000 0.536 312 P HA -0.199 nan 4.420 nan 0.000 0.235 312 P C -0.348 177.073 177.300 0.203 0.000 1.053 312 P CA 1.052 64.243 63.100 0.151 0.000 0.833 312 P CB 0.014 31.822 31.700 0.180 0.000 0.737 313 Q N 2.838 122.729 119.800 0.151 0.000 2.472 313 Q HA 0.049 4.389 4.340 -0.000 0.000 0.208 313 Q C 1.092 177.202 176.000 0.183 0.000 0.958 313 Q CA 0.780 56.664 55.803 0.135 0.000 0.932 313 Q CB 0.001 28.792 28.738 0.088 0.000 1.007 313 Q HN 0.621 nan 8.270 nan 0.000 0.508 314 A N 0.660 123.653 122.820 0.288 0.000 2.800 314 A HA -0.189 4.131 4.320 -0.000 0.000 0.292 314 A C 0.051 177.760 177.584 0.209 0.000 1.474 314 A CA 0.160 52.414 52.037 0.362 0.000 0.744 314 A CB -2.313 16.915 19.000 0.380 0.000 1.044 314 A HN 0.383 nan 8.150 nan 0.000 0.489 315 L N -0.063 121.251 121.223 0.151 0.000 2.490 315 L HA 0.130 4.470 4.340 -0.000 0.000 0.274 315 L C 1.148 178.083 176.870 0.109 0.000 1.201 315 L CA 0.464 55.369 54.840 0.108 0.000 0.869 315 L CB 0.501 42.609 42.059 0.080 0.000 1.123 315 L HN 0.694 nan 8.230 nan 0.000 0.484 316 Q N 4.290 124.151 119.800 0.102 0.000 2.303 316 Q HA 0.132 4.472 4.340 -0.000 0.000 0.257 316 Q C -0.582 175.468 176.000 0.083 0.000 0.941 316 Q CA -0.782 55.083 55.803 0.104 0.000 0.931 316 Q CB 1.015 29.837 28.738 0.140 0.000 1.215 316 Q HN 0.402 nan 8.270 nan 0.000 0.437 317 K N 2.264 122.702 120.400 0.062 0.000 2.351 317 K HA -0.234 4.086 4.320 -0.000 0.000 0.247 317 K C 0.062 176.696 176.600 0.056 0.000 1.174 317 K CA 1.552 57.867 56.287 0.047 0.000 1.214 317 K CB -0.318 32.199 32.500 0.028 0.000 0.740 317 K HN 0.957 nan 8.250 nan 0.000 0.513 318 S N 0.175 115.903 115.700 0.047 0.000 2.066 318 S HA -0.084 4.386 4.470 -0.000 0.000 0.234 318 S C 0.867 175.492 174.600 0.041 0.000 1.363 318 S CA 0.595 58.821 58.200 0.043 0.000 1.043 318 S CB -1.716 61.515 63.200 0.052 0.000 1.319 318 S HN 1.360 nan 8.310 nan 0.000 0.645 319 G N 1.640 110.467 108.800 0.045 0.000 2.184 319 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.264 319 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.264 319 G C -0.098 174.830 174.900 0.046 0.000 0.975 319 G CA 0.536 45.662 45.100 0.043 0.000 0.642 319 G HN 0.931 nan 8.290 nan 0.000 0.536 320 R N 0.932 121.463 120.500 0.052 0.000 2.316 320 R HA 0.299 4.639 4.340 -0.000 0.000 0.314 320 R C -0.706 175.629 176.300 0.058 0.000 1.069 320 R CA -1.166 54.964 56.100 0.050 0.000 0.959 320 R CB 0.570 30.901 30.300 0.053 0.000 0.987 320 R HN 0.051 nan 8.270 nan 0.000 0.446 321 P HA -0.253 nan 4.420 nan 0.000 0.222 321 P C -0.533 176.802 177.300 0.059 0.000 1.159 321 P CA 1.221 64.351 63.100 0.050 0.000 0.920 321 P CB 0.136 31.856 31.700 0.034 0.000 0.793 322 V N -2.993 116.953 119.914 0.053 0.000 3.065 322 V HA -0.107 4.013 4.120 -0.000 0.000 0.444 322 V C -0.314 175.798 176.094 0.031 0.000 0.682 322 V CA -0.313 62.020 62.300 0.057 0.000 1.979 322 V CB -0.806 31.063 31.823 0.077 0.000 2.461 322 V HN 0.115 nan 8.190 nan 0.000 0.490 323 K N 3.978 124.388 120.400 0.018 0.000 2.262 323 K HA 0.505 4.825 4.320 -0.000 0.000 0.288 323 K C 0.600 177.192 176.600 -0.014 0.000 1.090 323 K CA 0.343 56.627 56.287 -0.004 0.000 0.918 323 K CB 0.907 33.398 32.500 -0.015 0.000 1.139 323 K HN 0.860 nan 8.250 nan 0.000 0.462 324 S N 2.194 117.879 115.700 -0.026 0.000 2.603 324 S HA 0.187 4.657 4.470 -0.000 0.000 0.268 324 S C 1.494 176.035 174.600 -0.098 0.000 1.317 324 S CA -0.749 57.417 58.200 -0.057 0.000 1.012 324 S CB 0.694 63.862 63.200 -0.053 0.000 0.926 324 S HN 0.482 nan 8.310 nan 0.000 0.539 325 I N 1.248 121.712 120.570 -0.176 0.000 2.118 325 I HA -0.275 3.895 4.170 -0.000 0.000 0.241 325 I C 2.981 179.027 176.117 -0.117 0.000 1.070 325 I CA 2.135 63.332 61.300 -0.171 0.000 1.327 325 I CB -0.523 37.322 38.000 -0.258 0.000 1.034 325 I HN 0.863 nan 8.210 nan 0.000 0.405 326 R N 1.797 122.235 120.500 -0.104 0.000 2.133 326 R HA -0.287 4.053 4.340 -0.000 0.000 0.245 326 R C 2.317 178.548 176.300 -0.115 0.000 1.137 326 R CA 2.355 58.380 56.100 -0.123 0.000 0.947 326 R CB -0.653 29.591 30.300 -0.093 0.000 0.865 326 R HN 0.352 nan 8.270 nan 0.000 0.437 327 A N 1.118 123.887 122.820 -0.085 0.000 1.958 327 A HA -0.212 4.107 4.320 -0.000 0.000 0.221 327 A C 2.241 179.785 177.584 -0.067 0.000 1.178 327 A CA 1.883 53.879 52.037 -0.069 0.000 0.642 327 A CB -0.634 18.337 19.000 -0.049 0.000 0.816 327 A HN 0.516 nan 8.150 nan 0.000 0.453 328 R N -0.837 119.621 120.500 -0.070 0.000 2.148 328 R HA -0.006 4.334 4.340 -0.000 0.000 0.227 328 R C 1.679 177.941 176.300 -0.063 0.000 1.103 328 R CA 1.328 57.393 56.100 -0.059 0.000 0.983 328 R CB -0.318 29.948 30.300 -0.057 0.000 0.874 328 R HN 0.585 nan 8.270 nan 0.000 0.451 329 L N 0.033 121.205 121.223 -0.086 0.000 2.408 329 L HA 0.114 4.454 4.340 -0.000 0.000 0.215 329 L C 0.903 177.717 176.870 -0.093 0.000 1.081 329 L CA -0.122 54.662 54.840 -0.092 0.000 0.840 329 L CB -0.224 41.757 42.059 -0.131 0.000 1.002 329 L HN -0.030 nan 8.230 nan 0.000 0.468 330 K N 2.293 122.632 120.400 -0.102 0.000 2.513 330 K HA -0.028 4.292 4.320 -0.000 0.000 0.275 330 K C 0.688 177.249 176.600 -0.065 0.000 1.025 330 K CA 0.298 56.529 56.287 -0.094 0.000 1.125 330 K CB 0.295 32.744 32.500 -0.084 0.000 0.843 330 K HN 0.182 nan 8.250 nan 0.000 0.486 331 G N 3.662 112.424 108.800 -0.063 0.000 2.351 331 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.231 331 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.231 331 G C -0.478 174.415 174.900 -0.012 0.000 1.163 331 G CA 0.521 45.603 45.100 -0.030 0.000 0.861 331 G HN 0.953 nan 8.290 nan 0.000 0.500 332 K N 0.794 121.199 120.400 0.008 0.000 7.484 332 K HA -0.236 4.084 4.320 -0.000 0.000 0.590 332 K C 0.938 177.538 176.600 0.001 0.000 2.588 332 K CA 1.439 57.734 56.287 0.014 0.000 2.018 332 K CB -0.438 32.073 32.500 0.019 0.000 2.133 332 K HN 0.935 nan 8.250 nan 0.000 0.239 333 E N -1.843 118.360 120.200 0.004 0.000 3.649 333 E HA -0.241 4.109 4.350 -0.000 0.000 0.305 333 E C 0.414 177.010 176.600 -0.007 0.000 0.760 333 E CA 2.227 58.626 56.400 -0.001 0.000 1.038 333 E CB -1.460 28.238 29.700 -0.004 0.000 1.531 333 E HN 0.862 nan 8.360 nan 0.000 0.459 334 G N -0.545 108.248 108.800 -0.011 0.000 2.617 334 G HA2 0.483 4.443 3.960 -0.000 0.000 0.306 334 G HA3 0.483 4.443 3.960 -0.000 0.000 0.306 334 G C 0.359 175.247 174.900 -0.020 0.000 1.360 334 G CA 0.135 45.223 45.100 -0.020 0.000 0.983 334 G HN 0.010 nan 8.290 nan 0.000 0.496 335 R N 0.746 121.234 120.500 -0.019 0.000 3.327 335 R HA -0.344 3.996 4.340 -0.000 0.000 0.593 335 R C 2.370 178.662 176.300 -0.013 0.000 0.391 335 R CA 2.273 58.363 56.100 -0.017 0.000 0.533 335 R CB -1.190 29.095 30.300 -0.025 0.000 0.598 335 R HN 0.507 nan 8.270 nan 0.000 0.278 336 I N -0.010 120.548 120.570 -0.019 0.000 2.195 336 I HA -0.401 3.769 4.170 -0.000 0.000 0.232 336 I C 2.514 178.631 176.117 0.000 0.000 0.986 336 I CA 2.441 63.734 61.300 -0.011 0.000 1.283 336 I CB -1.102 36.885 38.000 -0.021 0.000 0.990 336 I HN 0.476 nan 8.210 nan 0.000 0.390 337 R N 0.102 120.604 120.500 0.003 0.000 2.119 337 R HA -0.060 4.280 4.340 -0.000 0.000 0.222 337 R C 2.016 178.323 176.300 0.011 0.000 1.088 337 R CA 1.299 57.409 56.100 0.016 0.000 0.984 337 R CB -0.228 30.089 30.300 0.029 0.000 0.884 337 R HN 0.529 nan 8.270 nan 0.000 0.447 338 G N -1.068 107.735 108.800 0.005 0.000 3.126 338 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.224 338 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.224 338 G C 0.797 175.699 174.900 0.004 0.000 1.142 338 G CA -0.158 44.945 45.100 0.005 0.000 0.759 338 G HN 0.219 nan 8.290 nan 0.000 0.550 339 N N -0.652 118.048 118.700 0.001 0.000 2.325 339 N HA 0.213 4.953 4.740 -0.000 0.000 0.220 339 N C 1.668 177.178 175.510 0.001 0.000 1.176 339 N CA -0.007 53.044 53.050 0.001 0.000 0.861 339 N CB 0.715 39.200 38.487 -0.002 0.000 1.230 339 N HN 0.203 nan 8.380 nan 0.000 0.479 340 L N 0.301 121.523 121.223 -0.000 0.000 2.356 340 L HA 0.231 4.571 4.340 -0.000 0.000 0.193 340 L C 1.912 178.780 176.870 -0.003 0.000 1.087 340 L CA 0.324 55.163 54.840 -0.001 0.000 0.817 340 L CB -0.211 41.849 42.059 0.000 0.000 1.035 340 L HN -0.040 nan 8.230 nan 0.000 0.482 341 M N 0.085 119.685 119.600 0.000 0.000 2.374 341 M HA 0.082 4.562 4.480 -0.000 0.000 0.264 341 M C 0.760 177.056 176.300 -0.007 0.000 1.067 341 M CA 0.602 55.900 55.300 -0.002 0.000 1.103 341 M CB -0.981 31.623 32.600 0.006 0.000 1.402 341 M HN 0.242 nan 8.290 nan 0.000 0.444 342 G N 0.639 109.438 108.800 -0.003 0.000 2.739 342 G HA2 0.555 4.515 3.960 -0.000 0.000 0.292 342 G HA3 0.555 4.515 3.960 -0.000 0.000 0.292 342 G C -0.980 173.921 174.900 0.003 0.000 1.444 342 G CA -0.693 44.406 45.100 -0.002 0.000 1.144 342 G HN 0.146 nan 8.290 nan 0.000 0.550 343 K N 1.016 121.418 120.400 0.003 0.000 2.378 343 K HA 0.625 4.945 4.320 -0.000 0.000 0.244 343 K C -0.171 176.444 176.600 0.025 0.000 1.039 343 K CA -1.040 55.254 56.287 0.012 0.000 0.863 343 K CB 2.571 35.076 32.500 0.009 0.000 1.326 343 K HN 0.356 nan 8.250 nan 0.000 0.460 344 R N 0.601 121.121 120.500 0.034 0.000 2.528 344 R HA 0.504 4.844 4.340 -0.000 0.000 0.271 344 R C -0.563 175.775 176.300 0.064 0.000 1.056 344 R CA -0.639 55.493 56.100 0.053 0.000 1.117 344 R CB 1.401 31.729 30.300 0.047 0.000 1.085 344 R HN 0.504 nan 8.270 nan 0.000 0.530 345 V N -1.559 118.413 119.914 0.096 0.000 3.188 345 V HA 0.489 4.609 4.120 -0.000 0.000 0.305 345 V C -1.124 175.067 176.094 0.161 0.000 1.232 345 V CA -1.055 61.317 62.300 0.119 0.000 1.043 345 V CB 2.365 34.253 31.823 0.108 0.000 1.068 345 V HN 0.619 nan 8.190 nan 0.000 0.439 346 D N 0.799 121.325 120.400 0.211 0.000 2.506 346 D HA 0.522 5.162 4.640 -0.000 0.000 0.272 346 D C -0.114 176.410 176.300 0.374 0.000 1.214 346 D CA 0.043 54.168 54.000 0.209 0.000 1.067 346 D CB 0.293 41.215 40.800 0.204 0.000 1.117 346 D HN 0.762 nan 8.370 nan 0.000 0.578 347 F N -0.327 119.688 119.950 0.109 0.000 2.866 347 F HA -0.231 4.295 4.527 -0.000 0.000 0.254 347 F C 0.262 176.156 175.800 0.157 0.000 1.009 347 F CA 0.221 58.297 58.000 0.127 0.000 0.907 347 F CB -1.923 37.154 39.000 0.129 0.000 0.859 347 F HN 0.201 nan 8.300 nan 0.000 0.842 348 S N -0.815 115.011 115.700 0.211 0.000 2.550 348 S HA 1.001 5.471 4.470 -0.000 0.000 0.270 348 S C -0.639 174.017 174.600 0.095 0.000 1.145 348 S CA -0.319 57.972 58.200 0.153 0.000 0.852 348 S CB 2.487 65.811 63.200 0.206 0.000 1.119 348 S HN 1.459 nan 8.310 nan 0.000 0.465 349 A N 1.226 124.095 122.820 0.082 0.000 2.599 349 A HA 0.968 5.287 4.320 -0.000 0.000 0.290 349 A C -1.068 176.670 177.584 0.256 0.000 1.101 349 A CA -0.874 51.261 52.037 0.163 0.000 0.674 349 A CB 1.819 20.955 19.000 0.226 0.000 1.277 349 A HN 1.214 nan 8.150 nan 0.000 0.419 350 R N 0.057 120.734 120.500 0.295 0.000 2.579 350 R HA 0.628 4.968 4.340 -0.000 0.000 0.260 350 R C -1.067 175.351 176.300 0.196 0.000 1.103 350 R CA 0.509 56.854 56.100 0.408 0.000 0.942 350 R CB 1.559 31.967 30.300 0.180 0.000 1.251 350 R HN 1.545 nan 8.270 nan 0.000 0.450 351 T N -1.285 113.374 114.554 0.176 0.000 2.606 351 T HA 0.453 4.803 4.350 -0.000 0.000 0.280 351 T C -0.910 173.815 174.700 0.042 0.000 1.074 351 T CA -0.483 61.568 62.100 -0.081 0.000 1.140 351 T CB 0.905 69.525 68.868 -0.413 0.000 1.631 351 T HN 0.197 nan 8.240 nan 0.000 0.464 352 V N 2.368 122.267 119.914 -0.024 0.000 2.539 352 V HA 0.553 4.673 4.120 -0.000 0.000 0.292 352 V C 0.422 176.576 176.094 0.100 0.000 1.045 352 V CA -0.876 61.456 62.300 0.054 0.000 0.945 352 V CB 0.886 32.721 31.823 0.021 0.000 0.993 352 V HN 0.837 nan 8.190 nan 0.000 0.464 353 I N 2.303 122.990 120.570 0.195 0.000 2.566 353 I HA 0.901 5.070 4.170 -0.000 0.000 0.303 353 I C -0.080 176.103 176.117 0.110 0.000 0.983 353 I CA -0.052 61.394 61.300 0.242 0.000 1.235 353 I CB 2.016 40.239 38.000 0.372 0.000 1.386 353 I HN 0.645 nan 8.210 nan 0.000 0.494 354 S N 2.338 117.859 115.700 -0.298 0.000 2.537 354 S HA 0.697 5.167 4.470 -0.000 0.000 0.270 354 S C -0.231 173.529 174.600 -1.401 0.000 1.142 354 S CA -0.746 56.808 58.200 -1.077 0.000 0.870 354 S CB 1.125 64.032 63.200 -0.487 0.000 1.112 354 S HN 1.123 nan 8.310 nan 0.000 0.466 355 G N 0.087 107.635 108.800 -2.086 0.000 2.503 355 G HA2 0.497 4.457 3.960 -0.000 0.000 0.257 355 G HA3 0.497 4.457 3.960 -0.000 0.000 0.257 355 G C -1.056 173.670 174.900 -0.289 0.000 1.214 355 G CA -0.122 44.556 45.100 -0.703 0.000 0.839 355 G HN 0.697 nan 8.290 nan 0.000 0.559 356 D N 1.352 121.695 120.400 -0.095 0.000 2.323 356 D HA 0.212 4.852 4.640 -0.000 0.000 0.242 356 D C -2.021 174.292 176.300 0.021 0.000 1.347 356 D CA -1.311 52.660 54.000 -0.049 0.000 0.988 356 D CB 2.167 42.928 40.800 -0.065 0.000 1.314 356 D HN 0.141 nan 8.370 nan 0.000 0.564 357 P HA 0.067 nan 4.420 nan 0.000 0.279 357 P C 0.118 177.483 177.300 0.109 0.000 1.451 357 P CA 0.153 63.312 63.100 0.098 0.000 0.783 357 P CB 0.197 31.966 31.700 0.114 0.000 1.490 358 N N -0.687 118.053 118.700 0.066 0.000 2.194 358 N HA 0.211 4.951 4.740 -0.000 0.000 0.231 358 N C 0.084 175.602 175.510 0.012 0.000 1.247 358 N CA -0.026 53.054 53.050 0.051 0.000 0.884 358 N CB 0.873 39.381 38.487 0.036 0.000 1.146 358 N HN 0.230 nan 8.380 nan 0.000 0.516 359 L N 0.899 122.131 121.223 0.015 0.000 2.334 359 L HA 0.416 4.756 4.340 -0.000 0.000 0.272 359 L C 0.473 177.352 176.870 0.015 0.000 1.020 359 L CA -0.859 53.978 54.840 -0.006 0.000 0.812 359 L CB 1.448 43.488 42.059 -0.031 0.000 1.264 359 L HN -0.147 nan 8.230 nan 0.000 0.439 360 E N 0.862 121.066 120.200 0.007 0.000 2.371 360 E HA 0.043 4.393 4.350 -0.000 0.000 0.257 360 E C 0.683 177.294 176.600 0.020 0.000 1.134 360 E CA -0.415 56.000 56.400 0.026 0.000 0.919 360 E CB 1.060 30.771 29.700 0.019 0.000 1.025 360 E HN 0.391 nan 8.360 nan 0.000 0.438 361 L N 2.007 123.237 121.223 0.012 0.000 1.956 361 L HA -0.248 4.091 4.340 -0.000 0.000 0.216 361 L C 1.418 178.314 176.870 0.043 0.000 1.073 361 L CA 2.534 57.353 54.840 -0.034 0.000 0.762 361 L CB -0.771 41.175 42.059 -0.188 0.000 0.889 361 L HN 0.601 nan 8.230 nan 0.000 0.433 362 D N -1.128 119.301 120.400 0.048 0.000 2.379 362 D HA -0.105 4.535 4.640 -0.000 0.000 0.243 362 D C 0.587 176.990 176.300 0.171 0.000 1.088 362 D CA 0.336 54.410 54.000 0.123 0.000 0.925 362 D CB -0.400 40.421 40.800 0.034 0.000 0.888 362 D HN 0.546 nan 8.370 nan 0.000 0.529 363 Q N -0.822 119.022 119.800 0.074 0.000 2.194 363 Q HA 0.631 4.971 4.340 -0.000 0.000 0.245 363 Q C -1.163 174.702 176.000 -0.224 0.000 0.993 363 Q CA -1.190 54.595 55.803 -0.031 0.000 0.930 363 Q CB 2.811 31.518 28.738 -0.051 0.000 1.238 363 Q HN 0.048 nan 8.270 nan 0.000 0.486 364 V N -0.103 119.638 119.914 -0.289 0.000 2.775 364 V HA 0.472 4.592 4.120 -0.000 0.000 0.295 364 V C -1.036 174.881 176.094 -0.295 0.000 1.226 364 V CA -0.408 61.594 62.300 -0.497 0.000 0.934 364 V CB 1.627 32.889 31.823 -0.935 0.000 1.056 364 V HN 0.811 nan 8.190 nan 0.000 0.436 365 G N 5.611 114.286 108.800 -0.207 0.000 2.356 365 G HA2 0.504 4.464 3.960 -0.000 0.000 0.273 365 G HA3 0.504 4.464 3.960 -0.000 0.000 0.273 365 G C -0.542 174.345 174.900 -0.021 0.000 1.213 365 G CA -0.098 44.941 45.100 -0.101 0.000 0.955 365 G HN 0.969 nan 8.290 nan 0.000 0.454 366 V N 5.987 125.892 119.914 -0.015 0.000 2.435 366 V HA 0.365 4.485 4.120 -0.000 0.000 0.290 366 V C -1.865 174.208 176.094 -0.034 0.000 1.030 366 V CA -1.831 60.507 62.300 0.063 0.000 0.881 366 V CB 2.195 34.062 31.823 0.073 0.000 0.983 366 V HN 0.642 nan 8.190 nan 0.000 0.445 367 P HA 0.120 nan 4.420 nan 0.000 0.276 367 P C 0.552 177.768 177.300 -0.139 0.000 1.243 367 P CA -0.195 62.830 63.100 -0.126 0.000 0.768 367 P CB 0.987 32.589 31.700 -0.165 0.000 0.856 368 K N 3.253 123.534 120.400 -0.197 0.000 2.148 368 K HA -0.298 4.022 4.320 -0.000 0.000 0.213 368 K C 1.975 178.484 176.600 -0.152 0.000 1.050 368 K CA 2.444 58.578 56.287 -0.257 0.000 0.932 368 K CB -0.519 31.819 32.500 -0.271 0.000 0.717 368 K HN 0.393 nan 8.250 nan 0.000 0.462 369 S N 0.488 116.114 115.700 -0.124 0.000 2.427 369 S HA -0.248 4.222 4.470 -0.000 0.000 0.231 369 S C 1.903 176.473 174.600 -0.049 0.000 1.045 369 S CA 2.125 60.273 58.200 -0.085 0.000 1.154 369 S CB -0.506 62.640 63.200 -0.090 0.000 1.093 369 S HN 0.409 nan 8.310 nan 0.000 0.422 370 I N 2.006 122.551 120.570 -0.043 0.000 2.069 370 I HA -0.233 3.937 4.170 -0.000 0.000 0.237 370 I C 2.931 179.087 176.117 0.064 0.000 1.053 370 I CA 1.435 62.745 61.300 0.017 0.000 1.311 370 I CB -0.973 37.050 38.000 0.039 0.000 1.030 370 I HN 0.519 nan 8.210 nan 0.000 0.398 371 A N 0.347 123.200 122.820 0.055 0.000 2.148 371 A HA -0.252 4.068 4.320 -0.000 0.000 0.222 371 A C 2.180 179.884 177.584 0.200 0.000 1.161 371 A CA 1.769 53.887 52.037 0.135 0.000 0.662 371 A CB -0.569 18.499 19.000 0.112 0.000 0.799 371 A HN 0.443 nan 8.150 nan 0.000 0.466 372 K N -1.715 118.741 120.400 0.092 0.000 2.379 372 K HA 0.048 4.368 4.320 -0.000 0.000 0.194 372 K C 1.392 178.173 176.600 0.302 0.000 1.031 372 K CA 0.988 57.311 56.287 0.060 0.000 1.037 372 K CB 0.137 32.564 32.500 -0.123 0.000 0.824 372 K HN 0.453 nan 8.250 nan 0.000 0.516 373 T N 1.002 115.653 114.554 0.163 0.000 2.988 373 T HA 0.167 4.517 4.350 -0.000 0.000 0.240 373 T C 0.650 175.389 174.700 0.064 0.000 1.014 373 T CA 0.110 62.258 62.100 0.080 0.000 1.155 373 T CB 0.231 69.120 68.868 0.034 0.000 0.872 373 T HN -0.014 nan 8.240 nan 0.000 0.440 374 L N 2.065 123.355 121.223 0.111 0.000 2.416 374 L HA 0.385 4.725 4.340 -0.000 0.000 0.272 374 L C 0.424 177.409 176.870 0.192 0.000 1.161 374 L CA -0.105 54.813 54.840 0.129 0.000 0.845 374 L CB 0.789 42.956 42.059 0.181 0.000 1.119 374 L HN 0.135 nan 8.230 nan 0.000 0.464 375 T N 1.701 116.401 114.554 0.243 0.000 2.916 375 T HA 0.489 4.839 4.350 -0.000 0.000 0.292 375 T C -1.512 173.472 174.700 0.474 0.000 1.055 375 T CA -0.393 61.882 62.100 0.291 0.000 1.009 375 T CB 1.223 70.198 68.868 0.178 0.000 1.118 375 T HN 0.372 nan 8.240 nan 0.000 0.497 376 Y N 4.930 125.343 120.300 0.188 0.000 2.338 376 Y HA 0.547 5.097 4.550 -0.000 0.000 0.333 376 Y C -2.569 173.380 175.900 0.082 0.000 0.968 376 Y CA -2.632 55.541 58.100 0.122 0.000 1.123 376 Y CB 2.081 40.590 38.460 0.080 0.000 1.165 376 Y HN 0.377 nan 8.280 nan 0.000 0.452 377 P HA 0.084 nan 4.420 nan 0.000 0.274 377 P C -0.807 176.098 177.300 -0.658 0.000 1.291 377 P CA 0.300 63.112 63.100 -0.481 0.000 0.815 377 P CB 0.917 32.402 31.700 -0.359 0.000 0.897 378 E N 2.605 122.630 120.200 -0.292 0.000 2.222 378 E HA 0.385 4.735 4.350 -0.000 0.000 0.272 378 E C -0.822 175.737 176.600 -0.067 0.000 0.982 378 E CA -1.049 55.276 56.400 -0.124 0.000 0.842 378 E CB 1.405 31.133 29.700 0.048 0.000 1.144 378 E HN 0.133 nan 8.360 nan 0.000 0.397 379 V N 3.507 123.403 119.914 -0.030 0.000 2.347 379 V HA 0.186 4.306 4.120 -0.000 0.000 0.280 379 V C -0.036 176.044 176.094 -0.023 0.000 1.021 379 V CA -1.059 61.234 62.300 -0.012 0.000 0.847 379 V CB 1.161 32.980 31.823 -0.007 0.000 0.990 379 V HN 0.518 nan 8.190 nan 0.000 0.444 380 V N 4.725 124.625 119.914 -0.025 0.000 2.644 380 V HA 0.038 4.158 4.120 -0.000 0.000 0.303 380 V C 0.747 176.717 176.094 -0.207 0.000 1.058 380 V CA 1.291 63.518 62.300 -0.122 0.000 1.228 380 V CB 0.072 31.812 31.823 -0.138 0.000 0.861 380 V HN 1.043 nan 8.190 nan 0.000 0.484 381 T N 7.715 122.097 114.554 -0.287 0.000 2.933 381 T HA 0.402 4.752 4.350 -0.000 0.000 0.305 381 T C -1.630 172.806 174.700 -0.440 0.000 1.092 381 T CA -0.906 60.982 62.100 -0.354 0.000 1.008 381 T CB 2.299 70.964 68.868 -0.338 0.000 1.102 381 T HN 0.442 nan 8.240 nan 0.000 0.469 382 P HA -0.211 nan 4.420 nan 0.000 0.218 382 P C 1.025 178.332 177.300 0.011 0.000 1.150 382 P CA 1.701 64.773 63.100 -0.047 0.000 0.841 382 P CB -0.062 31.817 31.700 0.297 0.000 0.784 383 Y N 0.846 121.155 120.300 0.014 0.000 2.274 383 Y HA -0.181 4.369 4.550 -0.000 0.000 0.290 383 Y C 2.291 178.178 175.900 -0.021 0.000 1.145 383 Y CA 0.917 59.020 58.100 0.005 0.000 1.203 383 Y CB -0.860 37.609 38.460 0.015 0.000 0.984 383 Y HN 0.239 nan 8.280 nan 0.000 0.533 384 N N -1.717 117.012 118.700 0.048 0.000 2.360 384 N HA -0.038 4.702 4.740 -0.000 0.000 0.211 384 N C 1.270 176.738 175.510 -0.070 0.000 1.147 384 N CA -0.021 53.032 53.050 0.005 0.000 0.866 384 N CB -0.583 37.915 38.487 0.018 0.000 1.206 384 N HN -0.001 nan 8.380 nan 0.000 0.478 385 I N 2.388 122.851 120.570 -0.178 0.000 2.972 385 I HA -0.477 3.693 4.170 -0.000 0.000 0.209 385 I C 1.146 177.187 176.117 -0.127 0.000 0.859 385 I CA 2.238 63.394 61.300 -0.241 0.000 1.161 385 I CB -0.946 36.839 38.000 -0.360 0.000 0.895 385 I HN 0.325 nan 8.210 nan 0.000 0.355 386 D N -0.284 120.066 120.400 -0.084 0.000 2.286 386 D HA -0.285 4.355 4.640 -0.000 0.000 0.197 386 D C 2.067 178.348 176.300 -0.031 0.000 1.015 386 D CA 2.092 56.066 54.000 -0.044 0.000 0.871 386 D CB -0.645 40.143 40.800 -0.019 0.000 1.044 386 D HN 0.408 nan 8.370 nan 0.000 0.459 387 R N 0.659 121.149 120.500 -0.016 0.000 2.140 387 R HA -0.173 4.167 4.340 -0.000 0.000 0.250 387 R C 2.658 178.953 176.300 -0.008 0.000 1.150 387 R CA 1.134 57.231 56.100 -0.006 0.000 0.966 387 R CB -0.506 29.798 30.300 0.007 0.000 0.869 387 R HN 0.205 nan 8.270 nan 0.000 0.445 388 L N -0.289 120.924 121.223 -0.018 0.000 2.093 388 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 388 L C 2.155 179.016 176.870 -0.015 0.000 1.085 388 L CA 1.629 56.460 54.840 -0.014 0.000 0.755 388 L CB -0.177 41.866 42.059 -0.028 0.000 0.904 388 L HN 0.304 nan 8.230 nan 0.000 0.435 389 T N -1.541 112.996 114.554 -0.030 0.000 2.915 389 T HA -0.220 4.130 4.350 -0.000 0.000 0.269 389 T C 1.689 176.384 174.700 -0.008 0.000 1.071 389 T CA 1.014 63.102 62.100 -0.021 0.000 1.132 389 T CB -0.023 68.822 68.868 -0.037 0.000 0.878 389 T HN 0.197 nan 8.240 nan 0.000 0.479 390 Q N 1.045 120.839 119.800 -0.009 0.000 2.049 390 Q HA 0.088 4.428 4.340 -0.000 0.000 0.198 390 Q C 2.108 178.108 176.000 0.000 0.000 0.971 390 Q CA 1.339 57.140 55.803 -0.004 0.000 0.833 390 Q CB -0.707 28.028 28.738 -0.005 0.000 0.896 390 Q HN 0.486 nan 8.270 nan 0.000 0.434 391 L N -0.631 120.592 121.223 0.000 0.000 1.990 391 L HA -0.241 4.099 4.340 -0.000 0.000 0.213 391 L C 2.314 179.188 176.870 0.007 0.000 1.072 391 L CA 1.479 56.322 54.840 0.004 0.000 0.755 391 L CB -0.896 41.166 42.059 0.006 0.000 0.889 391 L HN 0.119 nan 8.230 nan 0.000 0.432 392 V N -0.422 119.495 119.914 0.005 0.000 2.219 392 V HA -0.367 3.753 4.120 -0.000 0.000 0.248 392 V C 2.598 178.700 176.094 0.012 0.000 1.053 392 V CA 2.000 64.306 62.300 0.009 0.000 1.009 392 V CB -0.795 31.044 31.823 0.026 0.000 0.636 392 V HN 0.406 nan 8.190 nan 0.000 0.445 393 R N -0.022 120.486 120.500 0.013 0.000 2.143 393 R HA -0.252 4.088 4.340 -0.000 0.000 0.239 393 R C 2.365 178.673 176.300 0.013 0.000 1.126 393 R CA 2.123 58.231 56.100 0.014 0.000 0.927 393 R CB -0.785 29.521 30.300 0.009 0.000 0.860 393 R HN 0.549 nan 8.270 nan 0.000 0.433 394 N N 0.017 118.723 118.700 0.011 0.000 2.200 394 N HA -0.191 4.549 4.740 -0.000 0.000 0.199 394 N C 0.935 176.457 175.510 0.020 0.000 0.987 394 N CA 1.719 54.777 53.050 0.012 0.000 0.908 394 N CB -0.243 38.249 38.487 0.009 0.000 1.035 394 N HN 0.517 nan 8.380 nan 0.000 0.481 395 G N -1.127 107.687 108.800 0.024 0.000 2.661 395 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.685 395 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.685 395 G C -2.602 172.337 174.900 0.064 0.000 1.298 395 G CA -0.133 44.983 45.100 0.027 0.000 0.855 395 G HN 0.118 nan 8.290 nan 0.000 0.560 396 P HA 0.233 nan 4.420 nan 0.000 0.259 396 P C 0.337 177.718 177.300 0.135 0.000 1.530 396 P CA 0.036 63.211 63.100 0.126 0.000 1.022 396 P CB 0.224 31.889 31.700 -0.059 0.000 1.514 397 N N -0.613 118.130 118.700 0.072 0.000 2.474 397 N HA 0.065 4.805 4.740 -0.000 0.000 0.224 397 N C 0.675 176.178 175.510 -0.011 0.000 1.092 397 N CA 0.166 53.228 53.050 0.020 0.000 0.844 397 N CB 0.133 38.628 38.487 0.014 0.000 1.381 397 N HN 0.145 nan 8.380 nan 0.000 0.458 398 E N -0.049 120.149 120.200 -0.003 0.000 2.391 398 E HA -0.028 4.322 4.350 -0.000 0.000 0.255 398 E C 0.362 176.924 176.600 -0.063 0.000 1.187 398 E CA -0.017 56.373 56.400 -0.017 0.000 0.941 398 E CB 0.825 30.521 29.700 -0.006 0.000 1.010 398 E HN 0.277 nan 8.360 nan 0.000 0.458 399 H N 1.366 120.358 119.070 -0.130 0.000 2.390 399 H HA 0.068 4.624 4.556 -0.000 0.000 0.314 399 H C -1.771 173.456 175.328 -0.168 0.000 1.053 399 H CA 0.400 56.320 56.048 -0.212 0.000 1.353 399 H CB -1.063 28.607 29.762 -0.152 0.000 1.464 399 H HN 0.251 nan 8.280 nan 0.000 0.571 400 P HA 0.146 nan 4.420 nan 0.000 0.252 400 P C -0.481 176.713 177.300 -0.176 0.000 1.183 400 P CA 1.181 63.970 63.100 -0.518 0.000 0.973 400 P CB 0.116 31.695 31.700 -0.203 0.000 0.990 401 G N 1.456 110.274 108.800 0.030 0.000 2.753 401 G HA2 0.782 4.742 3.960 -0.000 0.000 0.303 401 G HA3 0.782 4.742 3.960 -0.000 0.000 0.303 401 G C -1.845 173.178 174.900 0.205 0.000 1.242 401 G CA -0.083 45.127 45.100 0.184 0.000 0.810 401 G HN 0.504 nan 8.290 nan 0.000 0.515 402 A N -1.133 121.647 122.820 -0.067 0.000 2.568 402 A HA 0.843 5.163 4.320 -0.000 0.000 0.291 402 A C -0.622 176.741 177.584 -0.369 0.000 1.159 402 A CA 0.091 51.920 52.037 -0.346 0.000 0.679 402 A CB 1.431 20.355 19.000 -0.126 0.000 1.285 402 A HN 1.367 nan 8.150 nan 0.000 0.428 403 K N -0.747 119.433 120.400 -0.365 0.000 2.788 403 K HA 0.534 4.854 4.320 -0.000 0.000 0.190 403 K C -1.306 175.047 176.600 -0.413 0.000 1.143 403 K CA -0.106 55.947 56.287 -0.390 0.000 1.099 403 K CB 0.383 32.576 32.500 -0.512 0.000 0.767 403 K HN 0.564 nan 8.250 nan 0.000 0.466 404 Y N 0.098 120.327 120.300 -0.119 0.000 2.273 404 Y HA 0.180 4.730 4.550 -0.000 0.000 0.316 404 Y C -1.465 174.391 175.900 -0.073 0.000 1.294 404 Y CA -1.343 56.698 58.100 -0.098 0.000 1.198 404 Y CB 2.013 40.417 38.460 -0.093 0.000 1.299 404 Y HN -0.181 nan 8.280 nan 0.000 0.413 405 V N 5.941 125.925 119.914 0.116 0.000 2.540 405 V HA 0.569 4.689 4.120 -0.000 0.000 0.302 405 V C -0.317 175.715 176.094 -0.104 0.000 1.035 405 V CA -0.629 61.691 62.300 0.034 0.000 0.873 405 V CB 1.884 33.754 31.823 0.079 0.000 0.992 405 V HN 0.496 nan 8.190 nan 0.000 0.428 406 I N 2.835 123.310 120.570 -0.159 0.000 2.466 406 I HA 0.754 4.924 4.170 -0.000 0.000 0.289 406 I C -0.474 175.338 176.117 -0.508 0.000 1.026 406 I CA -0.955 60.164 61.300 -0.302 0.000 1.078 406 I CB 1.977 39.843 38.000 -0.223 0.000 1.249 406 I HN 0.478 nan 8.210 nan 0.000 0.429 407 R N 2.267 122.263 120.500 -0.839 0.000 2.643 407 R HA 0.351 4.691 4.340 -0.000 0.000 0.272 407 R C 0.586 176.531 176.300 -0.591 0.000 0.995 407 R CA -0.611 54.646 56.100 -1.405 0.000 1.032 407 R CB 0.684 29.769 30.300 -2.025 0.000 1.126 407 R HN 0.761 nan 8.270 nan 0.000 0.505 408 D N 0.431 120.648 120.400 -0.305 0.000 2.248 408 D HA -0.306 4.334 4.640 -0.000 0.000 0.191 408 D C 0.758 176.999 176.300 -0.099 0.000 1.013 408 D CA 2.083 56.054 54.000 -0.048 0.000 0.883 408 D CB -0.603 40.270 40.800 0.121 0.000 0.915 408 D HN 0.496 nan 8.370 nan 0.000 0.448 409 S N -0.581 115.039 115.700 -0.132 0.000 3.054 409 S HA 0.235 4.705 4.470 -0.000 0.000 0.243 409 S C 1.480 176.002 174.600 -0.130 0.000 1.013 409 S CA 0.009 58.144 58.200 -0.108 0.000 1.119 409 S CB -1.340 61.801 63.200 -0.097 0.000 0.838 409 S HN 0.705 nan 8.310 nan 0.000 0.505 410 G N 1.022 109.737 108.800 -0.141 0.000 2.332 410 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.277 410 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.277 410 G C -0.428 174.386 174.900 -0.143 0.000 0.884 410 G CA 0.555 45.576 45.100 -0.131 0.000 1.251 410 G HN 0.756 nan 8.290 nan 0.000 0.462 411 D N -0.668 119.614 120.400 -0.196 0.000 2.947 411 D HA 0.438 5.078 4.640 -0.000 0.000 0.224 411 D C 0.281 176.442 176.300 -0.232 0.000 1.230 411 D CA -0.830 53.059 54.000 -0.187 0.000 0.871 411 D CB 0.967 41.667 40.800 -0.167 0.000 1.671 411 D HN 0.422 nan 8.370 nan 0.000 0.507 412 R N 3.352 123.722 120.500 -0.218 0.000 2.254 412 R HA 0.526 4.866 4.340 -0.000 0.000 0.318 412 R C -0.072 176.115 176.300 -0.188 0.000 1.031 412 R CA -0.584 55.354 56.100 -0.270 0.000 0.905 412 R CB 0.984 31.050 30.300 -0.390 0.000 1.050 412 R HN 0.388 nan 8.270 nan 0.000 0.456 413 I N 2.643 123.125 120.570 -0.147 0.000 2.304 413 I HA 0.025 4.195 4.170 -0.000 0.000 0.291 413 I C 0.168 176.331 176.117 0.077 0.000 1.018 413 I CA -0.438 60.835 61.300 -0.044 0.000 1.260 413 I CB 1.091 39.068 38.000 -0.039 0.000 1.390 413 I HN 0.527 nan 8.210 nan 0.000 0.475 414 D N 7.541 128.004 120.400 0.105 0.000 2.374 414 D HA 0.087 4.726 4.640 -0.000 0.000 0.240 414 D C 1.080 177.386 176.300 0.010 0.000 1.229 414 D CA -0.039 54.074 54.000 0.188 0.000 0.895 414 D CB 1.059 41.886 40.800 0.045 0.000 1.046 414 D HN 0.520 nan 8.370 nan 0.000 0.498 415 L N 3.723 124.941 121.223 -0.008 0.000 2.450 415 L HA -0.173 4.167 4.340 -0.000 0.000 0.225 415 L C 2.213 179.029 176.870 -0.090 0.000 1.145 415 L CA 0.922 55.730 54.840 -0.053 0.000 0.801 415 L CB -0.157 41.860 42.059 -0.071 0.000 0.924 415 L HN 0.437 nan 8.230 nan 0.000 0.447 416 R N -2.354 118.019 120.500 -0.212 0.000 2.362 416 R HA 0.034 4.374 4.340 -0.000 0.000 0.227 416 R C 0.962 177.353 176.300 0.153 0.000 0.905 416 R CA 0.217 56.239 56.100 -0.129 0.000 1.067 416 R CB 0.066 30.226 30.300 -0.235 0.000 1.078 416 R HN 0.344 nan 8.270 nan 0.000 0.516 417 Y N 0.467 120.772 120.300 0.009 0.000 2.921 417 Y HA 0.134 4.684 4.550 -0.000 0.000 0.246 417 Y C 0.834 176.744 175.900 0.017 0.000 1.030 417 Y CA -0.511 57.597 58.100 0.013 0.000 1.338 417 Y CB 0.196 38.667 38.460 0.019 0.000 1.493 417 Y HN 0.042 nan 8.280 nan 0.000 0.452 418 S N 3.598 119.412 115.700 0.189 0.000 4.241 418 S HA -0.215 4.255 4.470 -0.000 0.000 0.509 418 S C 1.026 175.678 174.600 0.088 0.000 1.061 418 S CA 0.587 58.853 58.200 0.111 0.000 1.008 418 S CB -0.033 63.211 63.200 0.073 0.000 0.746 418 S HN 0.582 nan 8.310 nan 0.000 0.487 419 K N 4.350 124.793 120.400 0.072 0.000 2.444 419 K HA -0.157 4.163 4.320 -0.000 0.000 0.200 419 K C 1.352 177.981 176.600 0.048 0.000 1.045 419 K CA 1.670 57.988 56.287 0.053 0.000 0.934 419 K CB -0.186 32.337 32.500 0.039 0.000 0.756 419 K HN 0.733 nan 8.250 nan 0.000 0.477 420 R N -0.006 120.525 120.500 0.052 0.000 2.393 420 R HA 0.251 4.591 4.340 -0.000 0.000 0.244 420 R C 1.864 178.195 176.300 0.052 0.000 0.920 420 R CA 0.339 56.469 56.100 0.050 0.000 1.076 420 R CB 0.292 30.625 30.300 0.055 0.000 1.119 420 R HN 0.247 nan 8.270 nan 0.000 0.524 421 A N 1.583 124.434 122.820 0.052 0.000 1.870 421 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 421 A C 2.321 179.929 177.584 0.040 0.000 1.224 421 A CA 2.253 54.318 52.037 0.046 0.000 0.650 421 A CB -1.387 17.640 19.000 0.045 0.000 0.836 421 A HN 0.445 nan 8.150 nan 0.000 0.454 422 G N -0.640 108.181 108.800 0.036 0.000 2.469 422 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 422 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 422 G C 1.071 175.989 174.900 0.031 0.000 1.136 422 G CA 1.214 46.332 45.100 0.029 0.000 0.759 422 G HN 0.598 nan 8.290 nan 0.000 0.562 423 D N -0.054 120.368 120.400 0.036 0.000 1.944 423 D HA 0.076 4.716 4.640 -0.000 0.000 0.262 423 D C 1.025 177.354 176.300 0.049 0.000 1.127 423 D CA 0.162 54.186 54.000 0.039 0.000 0.957 423 D CB -0.063 40.764 40.800 0.045 0.000 1.227 423 D HN 0.226 nan 8.370 nan 0.000 0.483 424 I N -0.397 120.213 120.570 0.066 0.000 8.102 424 I HA -0.239 3.931 4.170 -0.000 0.000 0.126 424 I C -0.621 175.531 176.117 0.058 0.000 1.850 424 I CA -0.113 61.243 61.300 0.094 0.000 2.038 424 I CB -0.667 37.403 38.000 0.117 0.000 3.769 424 I HN 0.347 nan 8.210 nan 0.000 0.169 425 Q N 6.834 126.653 119.800 0.032 0.000 2.322 425 Q HA 0.713 5.053 4.340 -0.000 0.000 0.265 425 Q C -0.383 175.529 176.000 -0.147 0.000 0.985 425 Q CA -0.950 54.824 55.803 -0.049 0.000 0.849 425 Q CB 2.511 31.210 28.738 -0.065 0.000 1.274 425 Q HN 0.575 nan 8.270 nan 0.000 0.449 426 L N 1.379 122.493 121.223 -0.182 0.000 2.476 426 L HA 0.184 4.524 4.340 -0.000 0.000 0.255 426 L C 0.538 176.992 176.870 -0.693 0.000 1.218 426 L CA -0.210 54.423 54.840 -0.345 0.000 0.819 426 L CB 0.258 42.214 42.059 -0.171 0.000 1.119 426 L HN 0.475 nan 8.230 nan 0.000 0.485 427 Q N 0.625 119.746 119.800 -1.132 0.000 2.321 427 Q HA 0.298 4.638 4.340 -0.000 0.000 0.270 427 Q C -1.442 174.246 176.000 -0.520 0.000 1.032 427 Q CA -0.821 54.385 55.803 -0.997 0.000 0.784 427 Q CB 1.974 29.688 28.738 -1.707 0.000 1.264 427 Q HN 0.307 nan 8.270 nan 0.000 0.448 428 Y N 0.787 120.877 120.300 -0.350 0.000 2.865 428 Y HA 0.074 4.624 4.550 -0.000 0.000 0.338 428 Y C 1.597 177.410 175.900 -0.145 0.000 1.269 428 Y CA 2.186 60.163 58.100 -0.206 0.000 1.585 428 Y CB -0.006 38.352 38.460 -0.171 0.000 1.224 428 Y HN 1.007 nan 8.280 nan 0.000 0.554 429 G N 0.754 109.595 108.800 0.069 0.000 2.284 429 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.201 429 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.201 429 G C -0.241 174.827 174.900 0.280 0.000 0.998 429 G CA -0.729 44.455 45.100 0.139 0.000 0.651 429 G HN 0.446 nan 8.290 nan 0.000 0.489 430 W N 1.307 122.590 121.300 -0.029 0.000 2.253 430 W HA 0.792 5.452 4.660 -0.000 0.000 0.348 430 W C 0.599 177.083 176.519 -0.058 0.000 1.229 430 W CA -0.945 56.375 57.345 -0.042 0.000 1.335 430 W CB 0.582 30.019 29.460 -0.039 0.000 1.165 430 W HN -0.016 nan 8.180 nan 0.000 0.631 431 K N 0.498 120.993 120.400 0.158 0.000 2.207 431 K HA 0.580 4.899 4.320 -0.000 0.000 0.255 431 K C -1.162 175.467 176.600 0.047 0.000 0.941 431 K CA -0.718 55.595 56.287 0.044 0.000 0.825 431 K CB 1.851 34.331 32.500 -0.032 0.000 1.119 431 K HN 0.122 nan 8.250 nan 0.000 0.430 432 V N 3.129 123.058 119.914 0.024 0.000 2.383 432 V HA 0.111 4.231 4.120 -0.000 0.000 0.264 432 V C -0.503 175.600 176.094 0.014 0.000 1.001 432 V CA -0.812 61.510 62.300 0.036 0.000 0.828 432 V CB 0.782 32.631 31.823 0.043 0.000 1.069 432 V HN 0.768 nan 8.190 nan 0.000 0.451 433 E N 4.554 124.771 120.200 0.029 0.000 2.734 433 E HA -0.050 4.300 4.350 -0.000 0.000 0.235 433 E C 0.514 177.114 176.600 0.001 0.000 1.107 433 E CA 0.288 56.715 56.400 0.045 0.000 0.951 433 E CB 0.426 30.216 29.700 0.151 0.000 0.955 433 E HN 0.739 nan 8.360 nan 0.000 0.515 434 R N 2.784 123.289 120.500 0.008 0.000 2.719 434 R HA 0.422 4.762 4.340 -0.000 0.000 0.233 434 R C 0.334 176.601 176.300 -0.055 0.000 1.257 434 R CA -0.848 55.217 56.100 -0.058 0.000 1.109 434 R CB 0.623 30.942 30.300 0.031 0.000 1.447 434 R HN 0.353 nan 8.270 nan 0.000 0.537 435 H N -0.261 118.836 119.070 0.044 0.000 2.544 435 H HA 0.196 4.752 4.556 -0.000 0.000 0.365 435 H C 0.370 175.762 175.328 0.106 0.000 1.268 435 H CA -0.401 55.683 56.048 0.060 0.000 1.400 435 H CB 0.681 30.435 29.762 -0.013 0.000 1.538 435 H HN 0.262 nan 8.280 nan 0.000 0.597 436 I N 1.965 122.706 120.570 0.284 0.000 2.634 436 I HA 0.032 4.202 4.170 -0.000 0.000 0.284 436 I C 0.838 177.072 176.117 0.194 0.000 1.124 436 I CA 0.534 61.955 61.300 0.202 0.000 1.417 436 I CB -0.151 37.956 38.000 0.178 0.000 1.396 436 I HN 0.339 nan 8.210 nan 0.000 0.571 437 M N 2.904 122.578 119.600 0.122 0.000 2.690 437 M HA 0.321 4.801 4.480 -0.000 0.000 0.302 437 M C -0.639 175.706 176.300 0.075 0.000 1.234 437 M CA -1.108 54.266 55.300 0.123 0.000 0.853 437 M CB 1.717 34.362 32.600 0.076 0.000 1.748 437 M HN 0.330 nan 8.290 nan 0.000 0.469 438 D N 2.279 122.726 120.400 0.079 0.000 2.586 438 D HA -0.004 4.636 4.640 -0.000 0.000 0.234 438 D C -0.229 176.077 176.300 0.010 0.000 1.132 438 D CA 1.464 55.483 54.000 0.032 0.000 0.860 438 D CB -0.057 40.759 40.800 0.026 0.000 1.159 438 D HN 0.589 nan 8.370 nan 0.000 0.490 439 N N 1.548 120.244 118.700 -0.007 0.000 2.862 439 N HA -0.159 4.581 4.740 -0.000 0.000 0.246 439 N C -1.582 173.906 175.510 -0.037 0.000 1.101 439 N CA 0.468 53.507 53.050 -0.019 0.000 0.679 439 N CB -0.614 37.864 38.487 -0.015 0.000 0.986 439 N HN 0.339 nan 8.380 nan 0.000 0.557 440 D N 0.452 120.826 120.400 -0.043 0.000 2.381 440 D HA 0.272 4.912 4.640 -0.000 0.000 0.235 440 D C -2.294 173.962 176.300 -0.073 0.000 1.068 440 D CA -1.403 52.542 54.000 -0.091 0.000 0.832 440 D CB 1.399 42.146 40.800 -0.088 0.000 1.101 440 D HN 0.054 nan 8.370 nan 0.000 0.515 441 P HA -0.013 nan 4.420 nan 0.000 0.263 441 P C -0.445 176.835 177.300 -0.033 0.000 1.195 441 P CA -0.141 62.928 63.100 -0.051 0.000 0.762 441 P CB 0.687 32.351 31.700 -0.060 0.000 0.799 442 V N 2.005 121.921 119.914 0.004 0.000 3.040 442 V HA 0.467 4.587 4.120 -0.000 0.000 0.312 442 V C -0.381 175.760 176.094 0.078 0.000 1.115 442 V CA -1.251 61.072 62.300 0.038 0.000 0.998 442 V CB 2.669 34.509 31.823 0.027 0.000 1.042 442 V HN 0.391 nan 8.190 nan 0.000 0.433 443 L N 3.275 124.572 121.223 0.123 0.000 2.257 443 L HA 0.551 4.891 4.340 -0.000 0.000 0.290 443 L C -1.187 175.835 176.870 0.254 0.000 1.044 443 L CA -0.099 54.840 54.840 0.166 0.000 0.810 443 L CB 1.046 43.205 42.059 0.166 0.000 1.193 443 L HN 0.829 nan 8.230 nan 0.000 0.425 444 F N 6.588 126.590 119.950 0.086 0.000 2.440 444 F HA 0.562 5.089 4.527 -0.000 0.000 0.328 444 F C 0.032 175.896 175.800 0.108 0.000 1.070 444 F CA -0.822 57.196 58.000 0.029 0.000 1.011 444 F CB 1.357 40.485 39.000 0.214 0.000 1.226 444 F HN 0.645 nan 8.300 nan 0.000 0.491 445 N N 2.938 121.363 118.700 -0.459 0.000 3.340 445 N HA 0.180 4.919 4.740 -0.000 0.000 0.234 445 N C -2.244 173.022 175.510 -0.406 0.000 1.196 445 N CA -0.656 52.268 53.050 -0.210 0.000 0.958 445 N CB 1.713 40.233 38.487 0.054 0.000 1.608 445 N HN 0.854 nan 8.380 nan 0.000 0.515 446 R N 2.440 122.864 120.500 -0.126 0.000 2.451 446 R HA 0.325 4.665 4.340 -0.000 0.000 0.307 446 R C -0.928 175.372 176.300 -0.000 0.000 0.965 446 R CA -0.325 55.706 56.100 -0.114 0.000 0.865 446 R CB 1.296 31.537 30.300 -0.098 0.000 1.174 446 R HN 0.585 nan 8.270 nan 0.000 0.455 447 Q N 3.923 123.714 119.800 -0.015 0.000 2.312 447 Q HA 0.333 4.673 4.340 -0.000 0.000 0.236 447 Q C -1.971 174.027 176.000 -0.002 0.000 0.965 447 Q CA -1.812 53.993 55.803 0.002 0.000 0.894 447 Q CB 0.842 29.583 28.738 0.006 0.000 1.225 447 Q HN 0.491 nan 8.270 nan 0.000 0.478 448 P HA 0.029 nan 4.420 nan 0.000 0.271 448 P C -1.092 176.204 177.300 -0.007 0.000 1.220 448 P CA -0.149 62.947 63.100 -0.007 0.000 0.768 448 P CB 0.800 32.490 31.700 -0.016 0.000 0.848 449 S N 3.580 119.279 115.700 -0.003 0.000 2.473 449 S HA 0.237 4.707 4.470 -0.000 0.000 0.312 449 S C 0.572 175.158 174.600 -0.024 0.000 1.087 449 S CA -0.521 57.679 58.200 0.001 0.000 1.077 449 S CB -0.247 62.961 63.200 0.013 0.000 1.065 449 S HN 0.322 nan 8.310 nan 0.000 0.510 450 L N 1.192 122.387 121.223 -0.047 0.000 3.202 450 L HA 0.542 4.882 4.340 -0.000 0.000 0.278 450 L C -0.013 176.794 176.870 -0.106 0.000 1.268 450 L CA -0.118 54.663 54.840 -0.098 0.000 1.034 450 L CB -1.132 40.837 42.059 -0.151 0.000 1.407 450 L HN 0.608 nan 8.230 nan 0.000 0.581 451 H N -1.122 117.891 119.070 -0.095 0.000 3.016 451 H HA 0.381 4.937 4.556 -0.000 0.000 0.362 451 H C 0.244 175.502 175.328 -0.116 0.000 1.233 451 H CA -0.770 55.209 56.048 -0.116 0.000 1.124 451 H CB 2.559 32.243 29.762 -0.130 0.000 1.850 451 H HN -0.091 nan 8.280 nan 0.000 0.549 452 K N 1.305 121.702 120.400 -0.006 0.000 2.026 452 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 452 K C 1.495 178.014 176.600 -0.135 0.000 1.048 452 K CA 1.686 57.922 56.287 -0.085 0.000 0.929 452 K CB 0.002 32.429 32.500 -0.121 0.000 0.713 452 K HN 0.475 nan 8.250 nan 0.000 0.439 453 M N 0.574 120.019 119.600 -0.258 0.000 2.530 453 M HA -0.094 4.386 4.480 -0.000 0.000 0.261 453 M C 1.744 177.823 176.300 -0.369 0.000 1.067 453 M CA 1.117 56.197 55.300 -0.367 0.000 1.071 453 M CB -0.072 32.202 32.600 -0.542 0.000 1.405 453 M HN -0.118 nan 8.290 nan 0.000 0.478 454 S N -0.074 115.539 115.700 -0.145 0.000 2.595 454 S HA 0.137 4.606 4.470 -0.000 0.000 0.235 454 S C 0.540 175.160 174.600 0.034 0.000 0.974 454 S CA 0.715 58.878 58.200 -0.062 0.000 0.942 454 S CB -0.245 62.980 63.200 0.042 0.000 0.766 454 S HN 0.429 nan 8.310 nan 0.000 0.536 455 M N 1.149 120.738 119.600 -0.019 0.000 2.149 455 M HA 0.446 4.926 4.480 -0.000 0.000 0.273 455 M C -1.257 175.052 176.300 0.015 0.000 0.972 455 M CA 0.163 55.517 55.300 0.091 0.000 0.984 455 M CB 1.936 34.573 32.600 0.062 0.000 1.699 455 M HN 0.027 nan 8.290 nan 0.000 0.462 456 M N 1.686 121.340 119.600 0.089 0.000 2.572 456 M HA 0.763 5.243 4.480 -0.000 0.000 0.299 456 M C -0.375 175.846 176.300 -0.132 0.000 1.205 456 M CA -0.834 54.414 55.300 -0.086 0.000 0.876 456 M CB 2.579 35.050 32.600 -0.215 0.000 1.728 456 M HN 0.733 nan 8.290 nan 0.000 0.458 457 A N 1.480 124.195 122.820 -0.176 0.000 2.363 457 A HA 0.583 4.903 4.320 -0.000 0.000 0.270 457 A C -0.860 176.564 177.584 -0.266 0.000 1.121 457 A CA -0.133 51.827 52.037 -0.129 0.000 0.800 457 A CB 0.154 19.107 19.000 -0.078 0.000 1.052 457 A HN 0.818 nan 8.150 nan 0.000 0.493 458 H N 0.881 119.953 119.070 0.003 0.000 2.855 458 H HA 0.435 4.990 4.556 -0.000 0.000 0.363 458 H C -0.473 174.813 175.328 -0.069 0.000 1.185 458 H CA -0.638 55.383 56.048 -0.045 0.000 1.174 458 H CB 1.485 31.171 29.762 -0.127 0.000 1.857 458 H HN 0.722 nan 8.280 nan 0.000 0.565 459 R N 0.524 121.073 120.500 0.083 0.000 2.349 459 R HA 0.358 4.698 4.340 -0.000 0.000 0.299 459 R C -0.468 175.815 176.300 -0.027 0.000 1.027 459 R CA -0.733 55.373 56.100 0.009 0.000 0.958 459 R CB 1.442 31.742 30.300 0.001 0.000 1.047 459 R HN 0.131 nan 8.270 nan 0.000 0.468 460 V N 3.865 123.759 119.914 -0.033 0.000 2.530 460 V HA 0.119 4.239 4.120 -0.000 0.000 0.282 460 V C 0.052 176.122 176.094 -0.039 0.000 1.048 460 V CA 0.098 62.370 62.300 -0.047 0.000 0.997 460 V CB 1.163 32.975 31.823 -0.018 0.000 0.987 460 V HN 0.490 nan 8.190 nan 0.000 0.477 461 K N 4.995 125.359 120.400 -0.059 0.000 2.572 461 K HA 0.350 4.670 4.320 -0.000 0.000 0.244 461 K C -0.967 175.596 176.600 -0.062 0.000 0.965 461 K CA -0.498 55.757 56.287 -0.053 0.000 0.943 461 K CB 1.555 34.017 32.500 -0.063 0.000 1.154 461 K HN 0.484 nan 8.250 nan 0.000 0.447 462 V N 5.551 125.427 119.914 -0.063 0.000 2.485 462 V HA 0.247 4.367 4.120 -0.000 0.000 0.287 462 V C 0.865 176.876 176.094 -0.138 0.000 1.022 462 V CA -0.325 61.897 62.300 -0.130 0.000 1.067 462 V CB -0.686 30.994 31.823 -0.239 0.000 0.967 462 V HN 0.582 nan 8.190 nan 0.000 0.479 463 I N 2.808 123.300 120.570 -0.130 0.000 3.145 463 I HA 0.801 4.971 4.170 -0.000 0.000 0.313 463 I C -2.544 173.500 176.117 -0.121 0.000 1.122 463 I CA -2.640 58.600 61.300 -0.101 0.000 0.987 463 I CB 2.501 40.471 38.000 -0.051 0.000 1.236 463 I HN 0.373 nan 8.210 nan 0.000 0.453 464 P HA 0.255 nan 4.420 nan 0.000 0.297 464 P C -1.048 176.187 177.300 -0.109 0.000 1.303 464 P CA 0.159 63.129 63.100 -0.215 0.000 0.753 464 P CB 0.309 31.809 31.700 -0.334 0.000 1.281 465 Y N -2.988 117.254 120.300 -0.096 0.000 2.503 465 Y HA -0.219 4.331 4.550 -0.000 0.000 0.051 465 Y C 1.228 177.055 175.900 -0.121 0.000 1.698 465 Y CA 0.660 58.702 58.100 -0.097 0.000 1.421 465 Y CB -1.925 36.482 38.460 -0.089 0.000 2.066 465 Y HN 0.237 nan 8.280 nan 0.000 0.253 466 S N 0.172 115.904 115.700 0.053 0.000 2.667 466 S HA 0.262 4.732 4.470 -0.000 0.000 0.251 466 S C 0.012 174.522 174.600 -0.150 0.000 1.075 466 S CA 0.229 58.385 58.200 -0.073 0.000 1.130 466 S CB -0.527 62.631 63.200 -0.070 0.000 0.795 466 S HN 0.665 nan 8.310 nan 0.000 0.462 467 T N -1.504 112.968 114.554 -0.138 0.000 2.906 467 T HA 0.636 4.986 4.350 -0.000 0.000 0.295 467 T C -0.509 174.098 174.700 -0.155 0.000 1.061 467 T CA -0.848 61.140 62.100 -0.185 0.000 1.000 467 T CB 0.682 69.486 68.868 -0.106 0.000 1.103 467 T HN 0.136 nan 8.240 nan 0.000 0.486 468 F N 1.945 121.884 119.950 -0.018 0.000 2.462 468 F HA 0.323 4.850 4.527 -0.000 0.000 0.360 468 F C 1.420 177.173 175.800 -0.079 0.000 1.134 468 F CA -0.899 57.075 58.000 -0.044 0.000 1.148 468 F CB 0.515 39.599 39.000 0.140 0.000 1.147 468 F HN 0.216 nan 8.300 nan 0.000 0.550 469 R N 5.903 126.418 120.500 0.024 0.000 2.204 469 R HA 0.415 4.755 4.340 -0.000 0.000 0.341 469 R C -0.643 175.593 176.300 -0.107 0.000 1.035 469 R CA -0.650 55.407 56.100 -0.071 0.000 0.887 469 R CB 0.749 30.994 30.300 -0.092 0.000 1.114 469 R HN 0.613 nan 8.270 nan 0.000 0.473 470 L N -0.204 120.990 121.223 -0.048 0.000 2.334 470 L HA 0.555 4.895 4.340 -0.000 0.000 0.272 470 L C 0.143 177.037 176.870 0.041 0.000 1.020 470 L CA -1.173 53.639 54.840 -0.046 0.000 0.812 470 L CB 1.184 43.300 42.059 0.095 0.000 1.264 470 L HN 0.328 nan 8.230 nan 0.000 0.439 471 N N 1.405 120.122 118.700 0.028 0.000 2.453 471 N HA 0.090 4.830 4.740 -0.000 0.000 0.253 471 N C 0.610 176.214 175.510 0.157 0.000 1.252 471 N CA 0.108 53.203 53.050 0.076 0.000 0.917 471 N CB 1.191 39.706 38.487 0.047 0.000 1.117 471 N HN 0.919 nan 8.380 nan 0.000 0.442 472 L N 1.735 123.061 121.223 0.172 0.000 2.027 472 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 472 L C 2.250 179.213 176.870 0.155 0.000 1.074 472 L CA 1.011 55.975 54.840 0.206 0.000 0.745 472 L CB -0.384 41.792 42.059 0.195 0.000 0.898 472 L HN 0.557 nan 8.230 nan 0.000 0.433 473 S N -1.145 114.634 115.700 0.131 0.000 2.465 473 S HA -0.142 4.328 4.470 -0.000 0.000 0.241 473 S C 1.421 176.033 174.600 0.019 0.000 1.000 473 S CA 0.862 59.122 58.200 0.101 0.000 0.964 473 S CB -0.068 63.227 63.200 0.159 0.000 0.763 473 S HN 0.283 nan 8.310 nan 0.000 0.512 474 V N 1.154 121.105 119.914 0.062 0.000 3.421 474 V HA 0.100 4.220 4.120 -0.000 0.000 0.316 474 V C 1.724 177.974 176.094 0.261 0.000 1.347 474 V CA 0.701 63.078 62.300 0.129 0.000 1.183 474 V CB -0.337 31.645 31.823 0.266 0.000 1.092 474 V HN 0.444 nan 8.190 nan 0.000 0.433 475 T N 0.355 115.016 114.554 0.179 0.000 2.706 475 T HA -0.138 4.212 4.350 -0.000 0.000 0.255 475 T C 2.177 176.942 174.700 0.108 0.000 1.048 475 T CA 2.085 64.278 62.100 0.155 0.000 1.153 475 T CB -0.182 68.717 68.868 0.051 0.000 0.865 475 T HN 0.795 nan 8.240 nan 0.000 0.414 476 S N 1.935 117.668 115.700 0.054 0.000 2.402 476 S HA -0.076 4.394 4.470 -0.000 0.000 0.233 476 S C -0.711 173.896 174.600 0.012 0.000 1.030 476 S CA 1.193 59.409 58.200 0.027 0.000 1.003 476 S CB -1.783 61.430 63.200 0.022 0.000 0.813 476 S HN 0.469 nan 8.310 nan 0.000 0.477 477 P HA -0.009 nan 4.420 nan 0.000 0.214 477 P C 0.955 178.168 177.300 -0.145 0.000 1.162 477 P CA 1.005 64.008 63.100 -0.163 0.000 0.874 477 P CB -0.202 31.297 31.700 -0.334 0.000 0.784 478 Y N -1.444 118.861 120.300 0.009 0.000 2.293 478 Y HA -0.063 4.487 4.550 -0.000 0.000 0.291 478 Y C 0.888 176.780 175.900 -0.014 0.000 1.137 478 Y CA 0.959 59.054 58.100 -0.009 0.000 1.202 478 Y CB -0.550 37.886 38.460 -0.040 0.000 0.990 478 Y HN 0.008 nan 8.280 nan 0.000 0.537 479 N N 0.130 118.903 118.700 0.122 0.000 2.681 479 N HA -0.148 4.592 4.740 -0.000 0.000 0.265 479 N C -1.303 174.220 175.510 0.023 0.000 1.157 479 N CA 0.608 53.686 53.050 0.047 0.000 0.674 479 N CB -1.057 37.445 38.487 0.026 0.000 0.887 479 N HN 0.346 nan 8.380 nan 0.000 0.557 480 A N 1.814 124.628 122.820 -0.011 0.000 2.498 480 A HA 0.738 5.057 4.320 -0.000 0.000 0.298 480 A C -0.643 176.784 177.584 -0.262 0.000 1.075 480 A CA -0.167 51.817 52.037 -0.089 0.000 0.714 480 A CB 1.360 20.329 19.000 -0.052 0.000 1.299 480 A HN 0.602 nan 8.150 nan 0.000 0.407 481 D N -0.963 119.256 120.400 -0.301 0.000 2.654 481 D HA 0.624 5.263 4.640 -0.000 0.000 0.255 481 D C -0.468 175.551 176.300 -0.468 0.000 1.101 481 D CA -0.537 53.181 54.000 -0.470 0.000 1.116 481 D CB 0.617 41.294 40.800 -0.204 0.000 1.348 481 D HN 0.293 nan 8.370 nan 0.000 0.609 482 F N -0.735 119.228 119.950 0.022 0.000 2.654 482 F HA 0.148 4.675 4.527 -0.000 0.000 0.303 482 F C 0.791 176.597 175.800 0.010 0.000 1.099 482 F CA -0.764 57.247 58.000 0.018 0.000 1.270 482 F CB 0.393 39.404 39.000 0.019 0.000 1.024 482 F HN 0.236 nan 8.300 nan 0.000 0.548 483 D N 0.346 120.812 120.400 0.111 0.000 2.403 483 D HA 0.074 4.714 4.640 -0.000 0.000 0.260 483 D C 1.540 177.876 176.300 0.061 0.000 1.243 483 D CA 0.750 54.791 54.000 0.069 0.000 0.918 483 D CB -0.385 40.430 40.800 0.025 0.000 0.939 483 D HN 0.399 nan 8.370 nan 0.000 0.507 484 G N -0.207 108.646 108.800 0.089 0.000 2.143 484 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.175 484 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.175 484 G C -0.551 174.386 174.900 0.063 0.000 1.004 484 G CA -0.373 44.766 45.100 0.065 0.000 0.671 484 G HN 0.371 nan 8.290 nan 0.000 0.512 485 D N 1.043 121.493 120.400 0.084 0.000 2.382 485 D HA 0.477 5.116 4.640 -0.000 0.000 0.245 485 D C 0.765 177.115 176.300 0.084 0.000 1.120 485 D CA 0.460 54.498 54.000 0.063 0.000 0.890 485 D CB 0.906 41.733 40.800 0.045 0.000 1.201 485 D HN 0.519 nan 8.370 nan 0.000 0.433 486 E N 1.016 121.249 120.200 0.055 0.000 2.232 486 E HA 0.624 4.974 4.350 -0.000 0.000 0.264 486 E C -0.230 176.390 176.600 0.033 0.000 0.973 486 E CA -0.746 55.698 56.400 0.073 0.000 0.849 486 E CB 1.750 31.484 29.700 0.057 0.000 1.198 486 E HN 0.275 nan 8.360 nan 0.000 0.407 487 M N 1.289 120.932 119.600 0.071 0.000 2.520 487 M HA 0.330 4.810 4.480 -0.000 0.000 0.280 487 M C -1.426 174.810 176.300 -0.108 0.000 1.232 487 M CA -0.954 54.253 55.300 -0.154 0.000 0.892 487 M CB 2.228 34.526 32.600 -0.504 0.000 1.728 487 M HN 0.365 nan 8.290 nan 0.000 0.475 488 N N 1.740 120.276 118.700 -0.274 0.000 2.473 488 N HA 0.702 5.442 4.740 -0.000 0.000 0.291 488 N C -1.538 173.783 175.510 -0.314 0.000 1.083 488 N CA -0.471 52.443 53.050 -0.227 0.000 0.951 488 N CB 1.784 40.153 38.487 -0.197 0.000 1.164 488 N HN 0.447 nan 8.380 nan 0.000 0.480 489 L N 2.315 123.354 121.223 -0.306 0.000 2.385 489 L HA 0.418 4.758 4.340 -0.000 0.000 0.273 489 L C -1.084 175.597 176.870 -0.314 0.000 0.990 489 L CA -0.465 54.246 54.840 -0.215 0.000 0.821 489 L CB 0.999 42.918 42.059 -0.233 0.000 1.279 489 L HN 0.513 nan 8.230 nan 0.000 0.412 490 H N 3.811 122.941 119.070 0.100 0.000 2.524 490 H HA 0.599 5.155 4.556 -0.000 0.000 0.353 490 H C -1.087 174.311 175.328 0.115 0.000 1.136 490 H CA -0.630 55.486 56.048 0.114 0.000 1.193 490 H CB 2.421 32.235 29.762 0.087 0.000 1.558 490 H HN 0.340 nan 8.280 nan 0.000 0.515 491 V N 5.932 126.012 119.914 0.277 0.000 2.357 491 V HA 0.173 4.293 4.120 -0.000 0.000 0.284 491 V C -1.734 174.443 176.094 0.138 0.000 1.018 491 V CA -1.543 60.882 62.300 0.208 0.000 0.841 491 V CB 1.580 33.576 31.823 0.287 0.000 0.991 491 V HN 0.651 nan 8.190 nan 0.000 0.437 492 P HA -0.015 nan 4.420 nan 0.000 0.273 492 P C -0.435 176.915 177.300 0.083 0.000 1.248 492 P CA 0.314 63.442 63.100 0.048 0.000 0.817 492 P CB 1.239 32.950 31.700 0.019 0.000 0.995 493 Q N -1.946 117.902 119.800 0.079 0.000 2.104 493 Q HA 0.179 4.519 4.340 -0.000 0.000 0.240 493 Q C 0.161 176.195 176.000 0.057 0.000 0.743 493 Q CA 0.178 55.995 55.803 0.024 0.000 0.920 493 Q CB 0.393 28.976 28.738 -0.259 0.000 1.198 493 Q HN 0.447 nan 8.270 nan 0.000 0.465 494 S N -0.399 115.359 115.700 0.096 0.000 2.503 494 S HA 0.309 4.779 4.470 -0.000 0.000 0.301 494 S C 0.598 175.282 174.600 0.141 0.000 1.087 494 S CA -0.355 57.888 58.200 0.071 0.000 1.042 494 S CB 1.431 64.639 63.200 0.013 0.000 1.043 494 S HN 0.176 nan 8.310 nan 0.000 0.489 495 E N 2.591 122.881 120.200 0.150 0.000 2.208 495 E HA -0.241 4.109 4.350 -0.000 0.000 0.202 495 E C 1.577 178.224 176.600 0.078 0.000 1.014 495 E CA 2.489 58.974 56.400 0.141 0.000 0.819 495 E CB -0.052 29.716 29.700 0.114 0.000 0.735 495 E HN 0.863 nan 8.360 nan 0.000 0.469 496 E N -2.062 118.172 120.200 0.057 0.000 2.299 496 E HA -0.030 4.320 4.350 -0.000 0.000 0.193 496 E C 1.848 178.462 176.600 0.023 0.000 0.998 496 E CA 1.082 57.504 56.400 0.036 0.000 0.851 496 E CB -0.224 29.493 29.700 0.028 0.000 0.795 496 E HN 0.015 nan 8.360 nan 0.000 0.492 497 T N 1.408 115.978 114.554 0.026 0.000 2.668 497 T HA -0.110 4.240 4.350 -0.000 0.000 0.262 497 T C 1.743 176.446 174.700 0.005 0.000 1.045 497 T CA 1.704 63.810 62.100 0.010 0.000 1.152 497 T CB -0.159 68.717 68.868 0.013 0.000 0.864 497 T HN 0.254 nan 8.240 nan 0.000 0.419 498 R N 1.794 122.299 120.500 0.009 0.000 2.133 498 R HA -0.161 4.178 4.340 -0.000 0.000 0.245 498 R C 2.701 178.991 176.300 -0.017 0.000 1.137 498 R CA 1.628 57.714 56.100 -0.022 0.000 0.947 498 R CB -1.038 29.228 30.300 -0.057 0.000 0.865 498 R HN 0.366 nan 8.270 nan 0.000 0.437 499 A N 1.649 124.467 122.820 -0.004 0.000 1.940 499 A HA -0.270 4.050 4.320 -0.000 0.000 0.221 499 A C 2.078 179.658 177.584 -0.006 0.000 1.190 499 A CA 1.942 53.979 52.037 -0.000 0.000 0.647 499 A CB -0.591 18.418 19.000 0.014 0.000 0.821 499 A HN 0.489 nan 8.150 nan 0.000 0.457 500 E N -0.911 119.284 120.200 -0.007 0.000 2.265 500 E HA -0.104 4.246 4.350 -0.000 0.000 0.196 500 E C 1.829 178.413 176.600 -0.025 0.000 0.996 500 E CA 0.737 57.127 56.400 -0.016 0.000 0.832 500 E CB -0.138 29.549 29.700 -0.021 0.000 0.756 500 E HN 0.694 nan 8.360 nan 0.000 0.491 501 L N -0.097 121.112 121.223 -0.024 0.000 2.121 501 L HA -0.096 4.244 4.340 -0.000 0.000 0.200 501 L C 2.579 179.426 176.870 -0.038 0.000 1.077 501 L CA 1.005 55.827 54.840 -0.030 0.000 0.766 501 L CB -0.322 41.724 42.059 -0.022 0.000 0.931 501 L HN 0.109 nan 8.230 nan 0.000 0.452 502 S N -0.965 114.715 115.700 -0.034 0.000 2.442 502 S HA -0.167 4.303 4.470 -0.000 0.000 0.236 502 S C 1.683 176.264 174.600 -0.032 0.000 1.007 502 S CA 0.798 58.978 58.200 -0.034 0.000 0.965 502 S CB -0.211 62.972 63.200 -0.030 0.000 0.773 502 S HN 0.396 nan 8.310 nan 0.000 0.504 503 Q N -0.104 119.679 119.800 -0.028 0.000 2.319 503 Q HA 0.397 4.737 4.340 -0.000 0.000 0.209 503 Q C 0.877 176.854 176.000 -0.038 0.000 0.884 503 Q CA 0.377 56.165 55.803 -0.025 0.000 0.938 503 Q CB 0.272 29.003 28.738 -0.011 0.000 1.098 503 Q HN 0.553 nan 8.270 nan 0.000 0.517 504 L N -2.442 118.752 121.223 -0.047 0.000 3.154 504 L HA 0.137 4.477 4.340 -0.000 0.000 0.280 504 L C 1.328 178.155 176.870 -0.072 0.000 1.134 504 L CA 0.408 55.211 54.840 -0.061 0.000 1.037 504 L CB 0.273 42.297 42.059 -0.059 0.000 1.571 504 L HN -0.014 nan 8.230 nan 0.000 0.576 505 C N 0.202 119.460 119.300 -0.070 0.000 3.065 505 C HA 0.621 5.081 4.460 -0.000 0.000 0.285 505 C C 1.459 176.384 174.990 -0.109 0.000 1.257 505 C CA -0.782 58.184 59.018 -0.086 0.000 1.691 505 C CB -0.649 27.050 27.740 -0.068 0.000 2.089 505 C HN 0.340 nan 8.230 nan 0.000 0.630 506 A N 1.614 124.378 122.820 -0.094 0.000 2.561 506 A HA 0.304 4.624 4.320 -0.000 0.000 0.251 506 A C 1.466 178.975 177.584 -0.124 0.000 1.062 506 A CA 0.375 52.349 52.037 -0.106 0.000 0.761 506 A CB 0.153 19.112 19.000 -0.068 0.000 0.986 506 A HN 0.338 nan 8.150 nan 0.000 0.510 507 V N 4.540 124.350 119.914 -0.174 0.000 2.311 507 V HA -0.278 3.842 4.120 -0.000 0.000 0.256 507 V C -0.207 175.815 176.094 -0.121 0.000 1.077 507 V CA 2.842 65.045 62.300 -0.163 0.000 1.067 507 V CB -1.623 30.119 31.823 -0.135 0.000 0.659 507 V HN 0.814 nan 8.190 nan 0.000 0.451 508 P HA -0.152 nan 4.420 nan 0.000 0.216 508 P C 1.868 179.136 177.300 -0.052 0.000 1.150 508 P CA 1.407 64.473 63.100 -0.058 0.000 0.843 508 P CB -0.064 31.619 31.700 -0.028 0.000 0.787 509 L N -1.104 120.080 121.223 -0.066 0.000 2.156 509 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 509 L C 2.244 179.064 176.870 -0.084 0.000 1.095 509 L CA 1.120 55.922 54.840 -0.065 0.000 0.770 509 L CB -0.752 41.267 42.059 -0.068 0.000 0.914 509 L HN -0.052 nan 8.230 nan 0.000 0.439 510 Q N -0.124 119.609 119.800 -0.112 0.000 2.488 510 Q HA -0.031 4.309 4.340 -0.000 0.000 0.211 510 Q C 2.149 178.073 176.000 -0.127 0.000 0.967 510 Q CA 0.739 56.459 55.803 -0.139 0.000 0.926 510 Q CB -0.115 28.511 28.738 -0.187 0.000 0.992 510 Q HN 0.581 nan 8.270 nan 0.000 0.506 511 I N -0.202 120.315 120.570 -0.089 0.000 2.143 511 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 511 I C 0.857 176.949 176.117 -0.041 0.000 1.068 511 I CA 1.063 62.337 61.300 -0.044 0.000 1.326 511 I CB -0.156 37.865 38.000 0.034 0.000 1.028 511 I HN -0.078 nan 8.210 nan 0.000 0.412 512 V N 0.960 120.843 119.914 -0.052 0.000 2.394 512 V HA 0.204 4.324 4.120 -0.000 0.000 0.282 512 V C 0.066 176.102 176.094 -0.096 0.000 1.031 512 V CA -0.253 62.004 62.300 -0.071 0.000 0.881 512 V CB 1.557 33.356 31.823 -0.039 0.000 0.982 512 V HN 0.255 nan 8.190 nan 0.000 0.451 513 S N 7.334 122.968 115.700 -0.109 0.000 2.489 513 S HA 0.521 4.991 4.470 -0.000 0.000 0.291 513 S C -1.322 173.246 174.600 -0.053 0.000 1.151 513 S CA -1.498 56.641 58.200 -0.102 0.000 1.082 513 S CB 1.887 65.003 63.200 -0.140 0.000 1.019 513 S HN 0.627 nan 8.310 nan 0.000 0.492 514 P HA -0.108 nan 4.420 nan 0.000 0.225 514 P C 1.004 178.428 177.300 0.208 0.000 1.156 514 P CA 0.795 63.952 63.100 0.095 0.000 0.787 514 P CB -0.039 31.743 31.700 0.136 0.000 0.802 515 Q N 1.268 121.127 119.800 0.098 0.000 2.500 515 Q HA -0.039 4.301 4.340 -0.000 0.000 0.213 515 Q C 0.642 176.635 176.000 -0.012 0.000 0.974 515 Q CA 1.561 57.393 55.803 0.048 0.000 0.918 515 Q CB -0.543 28.157 28.738 -0.064 0.000 0.980 515 Q HN 0.215 nan 8.270 nan 0.000 0.505 516 S N -0.786 114.860 115.700 -0.089 0.000 2.795 516 S HA 0.084 4.554 4.470 -0.000 0.000 0.230 516 S C -0.446 174.022 174.600 -0.220 0.000 0.749 516 S CA -0.368 57.645 58.200 -0.312 0.000 1.066 516 S CB -1.376 61.656 63.200 -0.280 0.000 1.466 516 S HN 0.587 nan 8.310 nan 0.000 0.502 517 N N 1.983 120.624 118.700 -0.098 0.000 2.691 517 N HA -0.308 4.432 4.740 -0.000 0.000 0.257 517 N C -0.417 175.055 175.510 -0.063 0.000 0.966 517 N CA 1.885 54.923 53.050 -0.020 0.000 0.810 517 N CB -1.594 36.929 38.487 0.060 0.000 0.932 517 N HN 0.997 nan 8.380 nan 0.000 0.546 518 K N -2.443 117.852 120.400 -0.174 0.000 2.546 518 K HA 0.519 4.839 4.320 -0.000 0.000 0.264 518 K C -3.238 173.180 176.600 -0.304 0.000 0.937 518 K CA -2.076 53.980 56.287 -0.385 0.000 0.833 518 K CB 2.541 34.905 32.500 -0.228 0.000 1.378 518 K HN -0.131 nan 8.250 nan 0.000 0.432 519 P HA -0.095 nan 4.420 nan 0.000 0.267 519 P C 0.538 177.781 177.300 -0.095 0.000 1.195 519 P CA -0.171 62.840 63.100 -0.147 0.000 0.773 519 P CB 0.387 32.043 31.700 -0.072 0.000 0.837 520 C N 1.326 120.586 119.300 -0.066 0.000 3.115 520 C HA 0.609 5.069 4.460 -0.000 0.000 0.277 520 C C 0.153 175.121 174.990 -0.036 0.000 1.460 520 C CA -0.549 58.427 59.018 -0.070 0.000 1.789 520 C CB -1.365 26.293 27.740 -0.137 0.000 2.674 520 C HN 0.407 nan 8.230 nan 0.000 0.582 521 M N 0.591 120.211 119.600 0.033 0.000 2.470 521 M HA 0.647 5.127 4.480 -0.000 0.000 0.285 521 M C 0.230 176.675 176.300 0.242 0.000 1.213 521 M CA 0.188 55.537 55.300 0.082 0.000 0.901 521 M CB 2.307 34.895 32.600 -0.019 0.000 1.718 521 M HN 0.319 nan 8.290 nan 0.000 0.469 522 G N 1.636 110.597 108.800 0.269 0.000 3.265 522 G HA2 0.812 4.772 3.960 -0.000 0.000 0.171 522 G HA3 0.812 4.772 3.960 -0.000 0.000 0.171 522 G C -1.324 173.749 174.900 0.289 0.000 1.110 522 G CA -0.445 44.807 45.100 0.253 0.000 0.855 522 G HN 0.568 nan 8.290 nan 0.000 0.658 523 I N 0.791 121.437 120.570 0.127 0.000 2.569 523 I HA 0.508 4.678 4.170 -0.000 0.000 0.290 523 I C -0.586 175.575 176.117 0.074 0.000 1.088 523 I CA -0.685 60.680 61.300 0.108 0.000 1.047 523 I CB 2.185 40.197 38.000 0.021 0.000 1.237 523 I HN 0.190 nan 8.210 nan 0.000 0.421 524 V N 4.135 124.099 119.914 0.082 0.000 3.139 524 V HA 0.511 4.631 4.120 -0.000 0.000 0.310 524 V C 0.190 176.313 176.094 0.048 0.000 1.260 524 V CA -0.663 61.671 62.300 0.056 0.000 1.064 524 V CB 1.354 33.212 31.823 0.059 0.000 1.160 524 V HN 0.878 nan 8.190 nan 0.000 0.470 525 Q N -0.034 119.790 119.800 0.040 0.000 2.012 525 Q HA -0.351 3.988 4.340 -0.000 0.000 0.448 525 Q C 1.127 177.137 176.000 0.016 0.000 0.804 525 Q CA 2.102 57.929 55.803 0.040 0.000 0.803 525 Q CB -1.543 27.236 28.738 0.068 0.000 3.809 525 Q HN 0.958 nan 8.270 nan 0.000 0.841 526 D N 0.483 120.902 120.400 0.032 0.000 2.495 526 D HA -0.184 4.456 4.640 -0.000 0.000 0.201 526 D C 1.960 178.261 176.300 0.001 0.000 1.041 526 D CA 2.865 56.873 54.000 0.013 0.000 0.890 526 D CB -0.888 39.942 40.800 0.051 0.000 1.089 526 D HN 0.661 nan 8.370 nan 0.000 0.471 527 T N 0.434 115.008 114.554 0.033 0.000 2.755 527 T HA -0.233 4.117 4.350 -0.000 0.000 0.266 527 T C 1.728 176.424 174.700 -0.006 0.000 1.041 527 T CA 1.380 63.498 62.100 0.029 0.000 1.147 527 T CB -0.352 68.551 68.868 0.059 0.000 0.847 527 T HN 0.055 nan 8.240 nan 0.000 0.478 528 L N 0.798 122.015 121.223 -0.010 0.000 2.056 528 L HA 0.170 4.510 4.340 -0.000 0.000 0.202 528 L C 2.738 179.566 176.870 -0.069 0.000 1.086 528 L CA 1.321 56.141 54.840 -0.033 0.000 0.758 528 L CB -1.566 40.484 42.059 -0.016 0.000 0.912 528 L HN 0.409 nan 8.230 nan 0.000 0.446 529 C N 0.617 119.861 119.300 -0.093 0.000 2.375 529 C HA -0.205 4.255 4.460 -0.000 0.000 0.274 529 C C 2.825 177.705 174.990 -0.182 0.000 1.190 529 C CA 1.421 60.330 59.018 -0.181 0.000 1.775 529 C CB -1.697 25.863 27.740 -0.300 0.000 2.067 529 C HN 0.742 nan 8.230 nan 0.000 0.463 530 G N -0.355 108.374 108.800 -0.118 0.000 2.402 530 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 530 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 530 G C 1.602 176.458 174.900 -0.072 0.000 1.162 530 G CA 0.852 45.947 45.100 -0.008 0.000 0.777 530 G HN 0.672 nan 8.290 nan 0.000 0.539 531 I N 0.403 120.912 120.570 -0.102 0.000 2.657 531 I HA -0.121 4.049 4.170 -0.000 0.000 0.261 531 I C 2.693 178.699 176.117 -0.184 0.000 1.212 531 I CA 1.154 62.357 61.300 -0.160 0.000 1.453 531 I CB -0.031 37.897 38.000 -0.121 0.000 1.092 531 I HN 0.227 nan 8.210 nan 0.000 0.452 532 R N 0.944 121.359 120.500 -0.143 0.000 2.052 532 R HA -0.117 4.223 4.340 -0.000 0.000 0.226 532 R C 2.246 178.462 176.300 -0.141 0.000 1.145 532 R CA 1.043 57.068 56.100 -0.126 0.000 0.952 532 R CB -0.194 30.053 30.300 -0.088 0.000 0.847 532 R HN 0.179 nan 8.270 nan 0.000 0.431 533 K N 0.780 121.119 120.400 -0.102 0.000 2.000 533 K HA -0.213 4.107 4.320 -0.000 0.000 0.218 533 K C 2.097 178.555 176.600 -0.236 0.000 1.053 533 K CA 1.800 58.068 56.287 -0.031 0.000 0.946 533 K CB -0.637 31.971 32.500 0.180 0.000 0.723 533 K HN 0.165 nan 8.250 nan 0.000 0.446 534 L N 1.625 122.437 121.223 -0.685 0.000 2.357 534 L HA -0.222 4.118 4.340 -0.000 0.000 0.220 534 L C 1.931 178.424 176.870 -0.629 0.000 1.123 534 L CA 1.773 55.850 54.840 -1.270 0.000 0.782 534 L CB -0.462 40.706 42.059 -1.486 0.000 0.910 534 L HN 0.171 nan 8.230 nan 0.000 0.442 535 T N -0.687 113.641 114.554 -0.377 0.000 2.755 535 T HA 0.118 4.468 4.350 -0.000 0.000 0.251 535 T C 0.716 175.299 174.700 -0.195 0.000 1.044 535 T CA 0.061 62.005 62.100 -0.259 0.000 1.154 535 T CB -0.210 68.543 68.868 -0.193 0.000 0.866 535 T HN 0.178 nan 8.240 nan 0.000 0.416 536 L N 2.625 123.769 121.223 -0.132 0.000 3.605 536 L HA -0.229 4.111 4.340 -0.000 0.000 0.434 536 L C 1.735 178.552 176.870 -0.088 0.000 1.161 536 L CA 0.065 54.861 54.840 -0.075 0.000 0.727 536 L CB 0.142 42.188 42.059 -0.022 0.000 1.020 536 L HN 0.286 nan 8.230 nan 0.000 0.781 537 R N 1.985 122.452 120.500 -0.056 0.000 2.134 537 R HA -0.258 4.082 4.340 -0.000 0.000 0.248 537 R C 1.588 177.890 176.300 0.003 0.000 1.143 537 R CA 2.132 58.198 56.100 -0.056 0.000 0.957 537 R CB -0.358 29.954 30.300 0.020 0.000 0.867 537 R HN 0.733 nan 8.270 nan 0.000 0.441 538 D N 0.178 120.638 120.400 0.100 0.000 2.271 538 D HA -0.090 4.550 4.640 -0.000 0.000 0.207 538 D C -0.167 176.311 176.300 0.297 0.000 0.983 538 D CA 0.958 55.087 54.000 0.214 0.000 0.878 538 D CB 0.017 40.897 40.800 0.134 0.000 0.920 538 D HN 0.061 nan 8.370 nan 0.000 0.479 539 T N 0.678 115.296 114.554 0.106 0.000 2.727 539 T HA 0.334 4.684 4.350 -0.000 0.000 0.298 539 T C -0.493 174.188 174.700 -0.033 0.000 0.942 539 T CA -0.329 61.842 62.100 0.119 0.000 0.997 539 T CB 0.181 69.066 68.868 0.028 0.000 0.917 539 T HN -0.150 nan 8.240 nan 0.000 0.487 540 F N 2.485 122.499 119.950 0.106 0.000 2.579 540 F HA 0.702 5.229 4.527 -0.000 0.000 0.324 540 F C 0.182 176.090 175.800 0.180 0.000 1.058 540 F CA -1.468 56.606 58.000 0.124 0.000 0.944 540 F CB 1.355 40.415 39.000 0.101 0.000 1.245 540 F HN 0.303 nan 8.300 nan 0.000 0.477 541 I N 1.030 121.842 120.570 0.403 0.000 2.582 541 I HA 0.328 4.498 4.170 -0.000 0.000 0.292 541 I C -0.900 175.462 176.117 0.407 0.000 1.066 541 I CA -0.858 60.646 61.300 0.339 0.000 1.053 541 I CB 2.310 40.459 38.000 0.249 0.000 1.241 541 I HN 0.622 nan 8.210 nan 0.000 0.421 542 E N 5.079 125.459 120.200 0.300 0.000 2.248 542 E HA 0.253 4.603 4.350 -0.000 0.000 0.272 542 E C 0.637 177.355 176.600 0.197 0.000 1.008 542 E CA -0.792 55.812 56.400 0.339 0.000 0.856 542 E CB 2.063 31.904 29.700 0.234 0.000 1.120 542 E HN 0.429 nan 8.360 nan 0.000 0.397 543 L N 2.869 124.267 121.223 0.291 0.000 2.114 543 L HA -0.414 3.926 4.340 -0.000 0.000 0.245 543 L C 2.019 178.839 176.870 -0.084 0.000 1.114 543 L CA 3.088 57.925 54.840 -0.005 0.000 0.843 543 L CB -1.057 41.129 42.059 0.211 0.000 0.945 543 L HN 1.017 nan 8.230 nan 0.000 0.446 544 D N -1.289 119.124 120.400 0.022 0.000 2.345 544 D HA -0.362 4.277 4.640 -0.000 0.000 0.190 544 D C 1.904 178.211 176.300 0.012 0.000 1.024 544 D CA 2.598 56.611 54.000 0.023 0.000 0.893 544 D CB -0.632 40.201 40.800 0.054 0.000 0.907 544 D HN 0.800 nan 8.370 nan 0.000 0.452 545 Q N -0.274 119.533 119.800 0.011 0.000 2.200 545 Q HA 0.035 4.375 4.340 -0.000 0.000 0.197 545 Q C 2.526 178.500 176.000 -0.043 0.000 0.953 545 Q CA 0.405 56.234 55.803 0.043 0.000 0.851 545 Q CB 0.313 29.091 28.738 0.068 0.000 0.938 545 Q HN 0.178 nan 8.270 nan 0.000 0.488 546 V N 1.658 121.454 119.914 -0.197 0.000 2.546 546 V HA -0.288 3.832 4.120 -0.000 0.000 0.254 546 V C 2.166 178.008 176.094 -0.421 0.000 1.076 546 V CA 1.369 63.427 62.300 -0.404 0.000 1.087 546 V CB -0.488 30.765 31.823 -0.949 0.000 0.674 546 V HN 0.387 nan 8.190 nan 0.000 0.470 547 L N -0.508 120.519 121.223 -0.326 0.000 2.044 547 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 547 L C 2.479 179.231 176.870 -0.196 0.000 1.075 547 L CA 1.401 56.071 54.840 -0.284 0.000 0.747 547 L CB -0.739 41.222 42.059 -0.164 0.000 0.903 547 L HN 0.353 nan 8.230 nan 0.000 0.435 548 N N 0.134 118.801 118.700 -0.055 0.000 2.120 548 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 548 N C 1.935 177.429 175.510 -0.026 0.000 1.024 548 N CA 1.414 54.481 53.050 0.029 0.000 0.852 548 N CB -0.158 38.389 38.487 0.100 0.000 1.003 548 N HN 0.289 nan 8.380 nan 0.000 0.424 549 M N 0.608 120.196 119.600 -0.020 0.000 2.080 549 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 549 M C 2.099 178.323 176.300 -0.126 0.000 1.068 549 M CA 1.294 56.575 55.300 -0.032 0.000 1.109 549 M CB -0.309 32.297 32.600 0.011 0.000 1.342 549 M HN 0.102 nan 8.290 nan 0.000 0.405 550 L N -1.476 119.538 121.223 -0.347 0.000 1.989 550 L HA -0.277 4.063 4.340 -0.000 0.000 0.211 550 L C 2.568 179.155 176.870 -0.472 0.000 1.071 550 L CA 1.472 55.875 54.840 -0.728 0.000 0.749 550 L CB -1.039 40.156 42.059 -1.439 0.000 0.890 550 L HN 0.273 nan 8.230 nan 0.000 0.431 551 Y N -0.518 119.533 120.300 -0.414 0.000 2.298 551 Y HA -0.279 4.270 4.550 -0.000 0.000 0.287 551 Y C 2.043 177.934 175.900 -0.014 0.000 1.164 551 Y CA 0.927 58.962 58.100 -0.108 0.000 1.229 551 Y CB -0.493 37.937 38.460 -0.050 0.000 0.977 551 Y HN 0.120 nan 8.280 nan 0.000 0.538 552 W N -0.275 120.855 121.300 -0.284 0.000 2.409 552 W HA 0.004 4.663 4.660 -0.000 0.000 0.299 552 W C 0.733 177.131 176.519 -0.202 0.000 1.203 552 W CA 1.325 58.474 57.345 -0.327 0.000 1.298 552 W CB -0.845 28.429 29.460 -0.311 0.000 1.127 552 W HN -0.393 nan 8.180 nan 0.000 0.528 553 V N 4.834 124.805 119.914 0.095 0.000 2.409 553 V HA -0.065 4.055 4.120 -0.000 0.000 0.270 553 V C -0.743 175.397 176.094 0.076 0.000 1.019 553 V CA -0.579 61.773 62.300 0.086 0.000 1.066 553 V CB 0.222 32.108 31.823 0.105 0.000 1.021 553 V HN -0.014 nan 8.190 nan 0.000 0.476 554 P HA -0.160 nan 4.420 nan 0.000 0.220 554 P C 0.438 177.774 177.300 0.061 0.000 1.144 554 P CA 1.261 64.346 63.100 -0.025 0.000 0.800 554 P CB 0.358 32.020 31.700 -0.063 0.000 0.772 555 D N -1.701 118.758 120.400 0.098 0.000 2.525 555 D HA 0.033 4.673 4.640 -0.000 0.000 0.229 555 D C 0.067 176.468 176.300 0.168 0.000 1.202 555 D CA -0.426 53.635 54.000 0.100 0.000 0.828 555 D CB -0.494 40.347 40.800 0.069 0.000 1.008 555 D HN 0.207 nan 8.370 nan 0.000 0.493 556 W N 3.879 125.194 121.300 0.024 0.000 2.253 556 W HA 0.040 4.700 4.660 -0.000 0.000 0.322 556 W C 1.037 177.580 176.519 0.039 0.000 1.342 556 W CA -0.920 56.449 57.345 0.039 0.000 1.218 556 W CB 0.698 30.195 29.460 0.062 0.000 1.205 556 W HN -0.035 nan 8.180 nan 0.000 0.551 557 D N 3.670 123.840 120.400 -0.384 0.000 2.371 557 D HA -0.003 4.637 4.640 -0.000 0.000 0.234 557 D C 1.427 177.212 176.300 -0.858 0.000 1.049 557 D CA 0.693 54.422 54.000 -0.451 0.000 0.907 557 D CB -0.627 40.040 40.800 -0.222 0.000 0.891 557 D HN 0.820 nan 8.370 nan 0.000 0.531 558 G N -0.019 107.582 108.800 -1.999 0.000 2.221 558 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.265 558 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.265 558 G C 0.011 174.223 174.900 -1.147 0.000 1.041 558 G CA 0.210 43.962 45.100 -2.246 0.000 0.807 558 G HN 0.386 nan 8.290 nan 0.000 0.502 559 V N 2.288 121.786 119.914 -0.694 0.000 2.289 559 V HA 0.318 4.438 4.120 -0.000 0.000 0.272 559 V C 0.979 177.378 176.094 0.508 0.000 1.026 559 V CA -0.832 61.499 62.300 0.053 0.000 0.807 559 V CB 0.923 32.753 31.823 0.011 0.000 1.044 559 V HN 0.466 nan 8.190 nan 0.000 0.443 560 I N 4.572 125.482 120.570 0.568 0.000 2.849 560 I HA 0.135 4.305 4.170 -0.000 0.000 0.288 560 I C -1.464 174.870 176.117 0.361 0.000 1.156 560 I CA -1.067 60.489 61.300 0.427 0.000 1.394 560 I CB -0.422 37.764 38.000 0.310 0.000 1.462 560 I HN 0.360 nan 8.210 nan 0.000 0.587 561 P HA 0.007 nan 4.420 nan 0.000 0.264 561 P C -0.037 177.531 177.300 0.447 0.000 1.193 561 P CA -0.014 63.289 63.100 0.338 0.000 0.763 561 P CB 0.376 32.253 31.700 0.295 0.000 0.810 562 T N 4.885 119.596 114.554 0.261 0.000 2.800 562 T HA 0.057 4.407 4.350 -0.000 0.000 0.283 562 T C -2.032 172.670 174.700 0.003 0.000 0.999 562 T CA -0.673 61.514 62.100 0.145 0.000 1.176 562 T CB -1.101 67.807 68.868 0.067 0.000 0.973 562 T HN 0.381 nan 8.240 nan 0.000 0.519 563 P HA 0.140 nan 4.420 nan 0.000 0.266 563 P C 0.505 177.555 177.300 -0.417 0.000 1.193 563 P CA -0.171 62.340 63.100 -0.980 0.000 0.770 563 P CB 0.354 31.308 31.700 -1.243 0.000 0.836 564 A N 3.215 125.846 122.820 -0.314 0.000 2.067 564 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 564 A C 0.915 178.454 177.584 -0.074 0.000 1.156 564 A CA 1.092 53.068 52.037 -0.102 0.000 0.683 564 A CB -0.436 18.551 19.000 -0.020 0.000 0.808 564 A HN 0.515 nan 8.150 nan 0.000 0.455 565 I N 0.187 120.676 120.570 -0.135 0.000 2.439 565 I HA 0.306 4.476 4.170 -0.000 0.000 0.285 565 I C 0.058 176.066 176.117 -0.182 0.000 1.021 565 I CA -0.241 61.000 61.300 -0.098 0.000 1.091 565 I CB 1.932 39.918 38.000 -0.024 0.000 1.242 565 I HN 0.168 nan 8.210 nan 0.000 0.439 566 I N 5.249 125.740 120.570 -0.133 0.000 4.139 566 I HA -0.011 4.159 4.170 -0.000 0.000 0.320 566 I C 1.824 177.893 176.117 -0.081 0.000 1.290 566 I CA -0.109 61.116 61.300 -0.125 0.000 1.253 566 I CB -0.175 37.767 38.000 -0.096 0.000 1.122 566 I HN 0.552 nan 8.210 nan 0.000 0.421 567 K N 3.161 123.521 120.400 -0.067 0.000 2.485 567 K HA -0.116 4.204 4.320 -0.000 0.000 0.221 567 K C -0.818 175.755 176.600 -0.045 0.000 0.715 567 K CA 0.917 57.173 56.287 -0.050 0.000 0.906 567 K CB -2.371 30.099 32.500 -0.049 0.000 0.426 567 K HN -0.010 nan 8.250 nan 0.000 0.971 568 P HA -0.170 nan 4.420 nan 0.000 0.212 568 P C -0.073 177.208 177.300 -0.031 0.000 1.180 568 P CA 1.479 64.558 63.100 -0.034 0.000 0.906 568 P CB 0.062 31.741 31.700 -0.035 0.000 0.782 569 K N 1.052 121.428 120.400 -0.040 0.000 2.235 569 K HA 0.317 4.637 4.320 -0.000 0.000 0.266 569 K C -2.431 174.137 176.600 -0.054 0.000 0.980 569 K CA -2.680 53.592 56.287 -0.025 0.000 0.849 569 K CB 1.538 34.032 32.500 -0.011 0.000 1.098 569 K HN -0.025 nan 8.250 nan 0.000 0.445 570 P HA 0.086 nan 4.420 nan 0.000 0.276 570 P C -1.171 175.993 177.300 -0.227 0.000 1.264 570 P CA -0.287 62.693 63.100 -0.201 0.000 0.769 570 P CB 0.646 32.248 31.700 -0.162 0.000 0.840 571 L N 4.467 125.510 121.223 -0.301 0.000 2.333 571 L HA 0.602 4.942 4.340 -0.000 0.000 0.263 571 L C -0.131 176.644 176.870 -0.157 0.000 1.014 571 L CA -0.469 54.361 54.840 -0.018 0.000 0.820 571 L CB 1.644 43.803 42.059 0.167 0.000 1.352 571 L HN 0.412 nan 8.230 nan 0.000 0.421 572 W N 0.427 121.838 121.300 0.185 0.000 2.761 572 W HA 0.608 5.268 4.660 -0.000 0.000 0.340 572 W C -0.169 176.356 176.519 0.009 0.000 1.072 572 W CA -0.725 56.674 57.345 0.090 0.000 1.215 572 W CB 2.311 31.796 29.460 0.043 0.000 1.420 572 W HN 0.545 nan 8.180 nan 0.000 0.519 573 S N -0.086 115.636 115.700 0.035 0.000 2.687 573 S HA 0.552 5.022 4.470 -0.000 0.000 0.283 573 S C 0.904 175.397 174.600 -0.178 0.000 1.170 573 S CA -0.073 57.940 58.200 -0.312 0.000 1.008 573 S CB 1.710 64.633 63.200 -0.463 0.000 1.026 573 S HN 0.612 nan 8.310 nan 0.000 0.541 574 G N 1.344 109.979 108.800 -0.275 0.000 2.552 574 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 574 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 574 G C 1.183 175.943 174.900 -0.232 0.000 1.240 574 G CA 0.861 45.781 45.100 -0.301 0.000 0.796 574 G HN 0.809 nan 8.290 nan 0.000 0.568 575 K N 0.139 120.412 120.400 -0.213 0.000 2.127 575 K HA -0.288 4.032 4.320 -0.000 0.000 0.212 575 K C 2.546 179.084 176.600 -0.105 0.000 1.050 575 K CA 1.728 57.922 56.287 -0.155 0.000 0.929 575 K CB -0.381 32.041 32.500 -0.131 0.000 0.715 575 K HN 0.399 nan 8.250 nan 0.000 0.457 576 Q N 0.438 120.190 119.800 -0.079 0.000 2.062 576 Q HA -0.215 4.125 4.340 -0.000 0.000 0.209 576 Q C 2.385 178.391 176.000 0.009 0.000 0.996 576 Q CA 2.274 58.078 55.803 0.002 0.000 0.859 576 Q CB -0.235 28.553 28.738 0.084 0.000 0.920 576 Q HN 0.608 nan 8.270 nan 0.000 0.415 577 I N -2.230 118.323 120.570 -0.030 0.000 2.585 577 I HA -0.085 4.085 4.170 -0.000 0.000 0.254 577 I C 2.157 178.225 176.117 -0.082 0.000 1.129 577 I CA 0.468 61.734 61.300 -0.056 0.000 1.455 577 I CB -0.320 37.616 38.000 -0.105 0.000 1.111 577 I HN 0.107 nan 8.210 nan 0.000 0.433 578 L N 1.514 122.661 121.223 -0.127 0.000 2.197 578 L HA -0.196 4.144 4.340 -0.000 0.000 0.215 578 L C 2.258 179.081 176.870 -0.078 0.000 1.095 578 L CA 2.013 56.777 54.840 -0.127 0.000 0.764 578 L CB -0.916 41.040 42.059 -0.172 0.000 0.897 578 L HN 0.318 nan 8.230 nan 0.000 0.436 579 S N -1.059 114.605 115.700 -0.060 0.000 2.423 579 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 579 S C 1.838 176.439 174.600 0.002 0.000 1.014 579 S CA 1.183 59.364 58.200 -0.032 0.000 0.965 579 S CB -0.419 62.769 63.200 -0.020 0.000 0.785 579 S HN 0.422 nan 8.310 nan 0.000 0.495 580 V N 1.711 121.635 119.914 0.016 0.000 2.828 580 V HA -0.183 3.937 4.120 -0.000 0.000 0.260 580 V C 2.311 178.443 176.094 0.062 0.000 1.101 580 V CA 1.497 63.835 62.300 0.063 0.000 1.123 580 V CB -1.312 30.543 31.823 0.053 0.000 0.704 580 V HN 0.540 nan 8.190 nan 0.000 0.493 581 A N -0.158 122.676 122.820 0.023 0.000 1.943 581 A HA 0.231 4.550 4.320 -0.000 0.000 0.213 581 A C 1.164 178.755 177.584 0.012 0.000 1.181 581 A CA 0.217 52.267 52.037 0.022 0.000 0.653 581 A CB -0.170 18.829 19.000 -0.001 0.000 0.833 581 A HN 0.489 nan 8.150 nan 0.000 0.451 582 I N 3.147 123.713 120.570 -0.007 0.000 2.505 582 I HA 0.120 4.290 4.170 -0.000 0.000 0.287 582 I C -1.958 174.164 176.117 0.008 0.000 1.104 582 I CA -1.696 59.596 61.300 -0.014 0.000 1.387 582 I CB 0.551 38.531 38.000 -0.034 0.000 1.404 582 I HN 0.210 nan 8.210 nan 0.000 0.528 583 P HA -0.003 nan 4.420 nan 0.000 0.270 583 P C -0.838 176.477 177.300 0.024 0.000 1.223 583 P CA -0.241 62.874 63.100 0.026 0.000 0.785 583 P CB 0.481 32.197 31.700 0.028 0.000 0.923 584 N N 0.206 118.924 118.700 0.029 0.000 2.453 584 N HA 0.198 4.938 4.740 -0.000 0.000 0.253 584 N C 1.544 177.076 175.510 0.037 0.000 1.252 584 N CA 0.887 53.955 53.050 0.030 0.000 0.917 584 N CB 0.041 38.545 38.487 0.028 0.000 1.117 584 N HN 0.821 nan 8.380 nan 0.000 0.442 585 G N -0.071 108.757 108.800 0.047 0.000 2.258 585 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.233 585 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.233 585 G C 0.180 175.137 174.900 0.096 0.000 1.006 585 G CA -0.389 44.754 45.100 0.071 0.000 0.620 585 G HN 0.494 nan 8.290 nan 0.000 0.511 586 I N 1.850 122.458 120.570 0.064 0.000 2.692 586 I HA 0.337 4.507 4.170 -0.000 0.000 0.284 586 I C 0.421 176.589 176.117 0.085 0.000 1.159 586 I CA 0.267 61.605 61.300 0.062 0.000 1.423 586 I CB 0.714 38.725 38.000 0.018 0.000 1.380 586 I HN 0.232 nan 8.210 nan 0.000 0.580 587 H N 5.917 124.995 119.070 0.013 0.000 2.856 587 H HA 0.544 5.100 4.556 -0.000 0.000 0.355 587 H C -1.727 173.606 175.328 0.008 0.000 1.079 587 H CA -0.654 55.406 56.048 0.019 0.000 1.240 587 H CB 2.273 32.057 29.762 0.036 0.000 1.701 587 H HN 0.378 nan 8.280 nan 0.000 0.527 588 L N 3.812 125.073 121.223 0.064 0.000 2.543 588 L HA 0.306 4.646 4.340 -0.000 0.000 0.265 588 L C -1.318 175.582 176.870 0.049 0.000 0.945 588 L CA -0.162 54.713 54.840 0.058 0.000 0.869 588 L CB 2.016 44.065 42.059 -0.018 0.000 1.294 588 L HN 0.613 nan 8.230 nan 0.000 0.405 589 Q N 3.700 123.569 119.800 0.116 0.000 2.340 589 Q HA 0.515 4.855 4.340 -0.000 0.000 0.268 589 Q C -0.334 175.778 176.000 0.187 0.000 1.031 589 Q CA -0.521 55.389 55.803 0.178 0.000 0.804 589 Q CB 3.159 32.053 28.738 0.260 0.000 1.286 589 Q HN 0.726 nan 8.270 nan 0.000 0.448 590 R N 1.897 122.536 120.500 0.232 0.000 1.850 590 R HA 0.294 4.634 4.340 -0.000 0.000 0.152 590 R C -0.848 175.723 176.300 0.453 0.000 2.001 590 R CA 0.218 56.446 56.100 0.213 0.000 1.578 590 R CB 0.669 30.983 30.300 0.022 0.000 1.261 590 R HN 0.583 nan 8.270 nan 0.000 0.478 591 F N 1.676 121.657 119.950 0.051 0.000 2.174 591 F HA -0.206 4.321 4.527 -0.000 0.000 0.496 591 F C 0.048 175.874 175.800 0.044 0.000 1.258 591 F CA 0.310 58.355 58.000 0.074 0.000 1.597 591 F CB -0.954 38.089 39.000 0.072 0.000 2.532 591 F HN 0.414 nan 8.300 nan 0.000 0.732 592 D N 2.012 122.484 120.400 0.120 0.000 2.256 592 D HA 0.105 4.745 4.640 -0.000 0.000 0.279 592 D C 1.506 177.858 176.300 0.086 0.000 1.209 592 D CA 0.610 54.659 54.000 0.081 0.000 0.946 592 D CB 0.160 40.982 40.800 0.036 0.000 0.914 592 D HN 0.652 nan 8.370 nan 0.000 0.278 593 E N 0.212 120.445 120.200 0.055 0.000 2.275 593 E HA 0.225 4.575 4.350 -0.000 0.000 0.239 593 E C 0.845 177.477 176.600 0.054 0.000 0.897 593 E CA -0.198 56.232 56.400 0.050 0.000 1.044 593 E CB -0.321 29.396 29.700 0.028 0.000 1.416 593 E HN 0.165 nan 8.360 nan 0.000 0.513 594 G N 1.551 110.369 108.800 0.031 0.000 2.494 594 G HA2 0.201 4.160 3.960 -0.000 0.000 0.297 594 G HA3 0.201 4.160 3.960 -0.000 0.000 0.297 594 G C -0.706 174.197 174.900 0.004 0.000 0.971 594 G CA 0.199 45.312 45.100 0.021 0.000 1.378 594 G HN -0.000 nan 8.290 nan 0.000 0.456 595 T N 0.874 115.438 114.554 0.017 0.000 2.886 595 T HA 0.626 4.976 4.350 -0.000 0.000 0.292 595 T C 0.211 174.878 174.700 -0.054 0.000 1.012 595 T CA -0.520 61.530 62.100 -0.083 0.000 0.982 595 T CB 1.899 70.666 68.868 -0.168 0.000 1.018 595 T HN 0.577 nan 8.240 nan 0.000 0.451 596 T N 0.323 114.774 114.554 -0.172 0.000 4.314 596 T HA 0.281 4.631 4.350 -0.000 0.000 0.234 596 T C 0.515 175.101 174.700 -0.190 0.000 0.954 596 T CA -0.691 61.360 62.100 -0.081 0.000 1.329 596 T CB -0.811 68.026 68.868 -0.051 0.000 0.883 596 T HN 0.438 nan 8.240 nan 0.000 0.577 597 L N -0.228 120.817 121.223 -0.298 0.000 4.396 597 L HA -0.196 4.144 4.340 -0.000 0.000 0.440 597 L C 0.866 177.400 176.870 -0.560 0.000 1.113 597 L CA 1.462 56.068 54.840 -0.390 0.000 0.975 597 L CB -1.190 40.832 42.059 -0.063 0.000 1.852 597 L HN 0.740 nan 8.230 nan 0.000 1.048 598 L N -0.673 120.227 121.223 -0.538 0.000 3.584 598 L HA 0.172 4.512 4.340 -0.000 0.000 0.354 598 L C 0.757 177.426 176.870 -0.336 0.000 1.345 598 L CA 0.213 54.813 54.840 -0.400 0.000 0.970 598 L CB 0.414 42.346 42.059 -0.211 0.000 1.374 598 L HN 0.243 nan 8.230 nan 0.000 0.612 599 S N 0.685 116.120 115.700 -0.442 0.000 3.689 599 S HA -0.046 4.424 4.470 -0.000 0.000 0.439 599 S C -1.017 173.510 174.600 -0.121 0.000 1.025 599 S CA -0.486 57.581 58.200 -0.221 0.000 1.576 599 S CB -0.401 62.734 63.200 -0.107 0.000 0.965 599 S HN 0.399 nan 8.310 nan 0.000 0.578 600 P HA -0.197 nan 4.420 nan 0.000 0.213 600 P C 0.901 178.185 177.300 -0.025 0.000 1.170 600 P CA 1.433 64.502 63.100 -0.050 0.000 0.902 600 P CB 0.036 31.713 31.700 -0.038 0.000 0.789 601 K N -0.727 119.663 120.400 -0.017 0.000 2.574 601 K HA -0.085 4.235 4.320 -0.000 0.000 0.193 601 K C 0.117 176.721 176.600 0.007 0.000 1.035 601 K CA 0.492 56.777 56.287 -0.003 0.000 0.982 601 K CB -0.832 31.667 32.500 -0.001 0.000 0.795 601 K HN 0.078 nan 8.250 nan 0.000 0.491 602 D N 0.823 121.231 120.400 0.013 0.000 2.737 602 D HA -0.154 4.486 4.640 -0.000 0.000 0.238 602 D C -0.372 175.957 176.300 0.049 0.000 1.157 602 D CA 0.407 54.437 54.000 0.051 0.000 0.694 602 D CB -0.887 39.932 40.800 0.031 0.000 1.021 602 D HN 0.231 nan 8.370 nan 0.000 0.420 603 N N -0.055 118.678 118.700 0.056 0.000 2.737 603 N HA 0.588 5.328 4.740 -0.000 0.000 0.292 603 N C 1.611 177.135 175.510 0.023 0.000 1.367 603 N CA 0.134 53.200 53.050 0.025 0.000 0.818 603 N CB -0.884 37.609 38.487 0.010 0.000 1.109 603 N HN 0.414 nan 8.380 nan 0.000 0.466 604 G N 0.887 109.679 108.800 -0.014 0.000 2.529 604 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.491 604 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.491 604 G C -0.143 174.636 174.900 -0.200 0.000 1.387 604 G CA 1.350 46.401 45.100 -0.083 0.000 0.928 604 G HN 0.678 nan 8.290 nan 0.000 0.515 605 M N -2.158 117.181 119.600 -0.434 0.000 2.394 605 M HA 0.583 5.063 4.480 -0.000 0.000 0.267 605 M C -2.266 173.639 176.300 -0.658 0.000 0.992 605 M CA -0.565 54.404 55.300 -0.552 0.000 0.858 605 M CB 1.430 33.876 32.600 -0.257 0.000 2.027 605 M HN 1.585 nan 8.290 nan 0.000 0.508 606 L N 6.470 127.161 121.223 -0.887 0.000 2.482 606 L HA 0.804 5.144 4.340 -0.000 0.000 0.269 606 L C -2.103 174.565 176.870 -0.337 0.000 0.967 606 L CA -0.206 54.306 54.840 -0.546 0.000 0.851 606 L CB 1.593 43.317 42.059 -0.559 0.000 1.242 606 L HN 0.799 nan 8.230 nan 0.000 0.404 607 I N 5.695 126.132 120.570 -0.222 0.000 2.530 607 I HA 0.557 4.727 4.170 -0.000 0.000 0.297 607 I C -0.598 175.357 176.117 -0.269 0.000 1.011 607 I CA -0.688 60.499 61.300 -0.188 0.000 1.107 607 I CB 2.091 40.005 38.000 -0.144 0.000 1.285 607 I HN 0.496 nan 8.210 nan 0.000 0.436 608 I N 3.756 124.182 120.570 -0.240 0.000 2.722 608 I HA 0.184 4.354 4.170 -0.000 0.000 0.295 608 I C -0.084 175.940 176.117 -0.155 0.000 1.161 608 I CA -0.379 60.709 61.300 -0.354 0.000 1.032 608 I CB 2.004 39.855 38.000 -0.248 0.000 1.244 608 I HN 0.663 nan 8.210 nan 0.000 0.421 609 D N 4.162 124.501 120.400 -0.102 0.000 2.913 609 D HA -0.225 4.415 4.640 -0.000 0.000 0.228 609 D C 0.942 177.240 176.300 -0.004 0.000 1.180 609 D CA 1.962 55.965 54.000 0.005 0.000 0.761 609 D CB -0.550 40.270 40.800 0.034 0.000 1.085 609 D HN 1.163 nan 8.370 nan 0.000 0.420 610 G N -1.528 107.250 108.800 -0.035 0.000 2.131 610 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.223 610 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.223 610 G C -0.263 174.620 174.900 -0.027 0.000 0.990 610 G CA 0.277 45.363 45.100 -0.023 0.000 0.671 610 G HN 0.453 nan 8.290 nan 0.000 0.521 611 Q N -0.212 119.563 119.800 -0.042 0.000 2.340 611 Q HA 0.520 4.860 4.340 -0.000 0.000 0.268 611 Q C 0.400 176.364 176.000 -0.059 0.000 1.031 611 Q CA -0.834 54.950 55.803 -0.032 0.000 0.804 611 Q CB 1.917 30.652 28.738 -0.006 0.000 1.286 611 Q HN 0.425 nan 8.270 nan 0.000 0.448 612 I N 3.667 124.197 120.570 -0.066 0.000 2.671 612 I HA -0.090 4.080 4.170 -0.000 0.000 0.285 612 I C 1.369 177.450 176.117 -0.061 0.000 1.148 612 I CA 0.391 61.635 61.300 -0.094 0.000 1.386 612 I CB 0.337 38.274 38.000 -0.104 0.000 1.406 612 I HN 0.605 nan 8.210 nan 0.000 0.540 613 I N 7.243 127.776 120.570 -0.061 0.000 2.585 613 I HA 0.036 4.206 4.170 -0.000 0.000 0.254 613 I C 0.159 176.385 176.117 0.182 0.000 1.129 613 I CA 0.617 61.951 61.300 0.057 0.000 1.455 613 I CB 0.133 38.206 38.000 0.121 0.000 1.111 613 I HN 0.559 nan 8.210 nan 0.000 0.433 614 F N -0.468 119.439 119.950 -0.073 0.000 2.765 614 F HA 0.611 5.138 4.527 -0.000 0.000 0.313 614 F C -0.704 175.040 175.800 -0.093 0.000 1.136 614 F CA -0.761 57.189 58.000 -0.083 0.000 0.952 614 F CB 0.279 39.228 39.000 -0.084 0.000 1.268 614 F HN -0.040 nan 8.300 nan 0.000 0.441 615 G N 1.523 110.351 108.800 0.046 0.000 3.233 615 G HA2 0.310 4.270 3.960 -0.000 0.000 0.686 615 G HA3 0.310 4.270 3.960 -0.000 0.000 0.686 615 G C -1.365 173.474 174.900 -0.100 0.000 1.153 615 G CA -0.669 44.388 45.100 -0.072 0.000 0.853 615 G HN 1.414 nan 8.290 nan 0.000 0.582 616 V N 2.100 121.975 119.914 -0.065 0.000 2.673 616 V HA 0.277 4.397 4.120 -0.000 0.000 0.303 616 V C 1.287 177.323 176.094 -0.095 0.000 1.046 616 V CA -0.328 61.925 62.300 -0.078 0.000 1.126 616 V CB 1.431 33.221 31.823 -0.055 0.000 0.934 616 V HN 0.839 nan 8.190 nan 0.000 0.487 617 V N 5.941 125.788 119.914 -0.111 0.000 2.385 617 V HA 0.493 4.613 4.120 -0.000 0.000 0.269 617 V C 0.060 176.098 176.094 -0.094 0.000 1.043 617 V CA -0.112 62.122 62.300 -0.110 0.000 0.906 617 V CB 0.698 32.444 31.823 -0.128 0.000 0.995 617 V HN 1.182 nan 8.190 nan 0.000 0.467 618 E N 2.772 122.927 120.200 -0.074 0.000 2.456 618 E HA 0.413 4.763 4.350 -0.000 0.000 0.278 618 E C 0.610 177.183 176.600 -0.044 0.000 1.034 618 E CA -0.975 55.390 56.400 -0.058 0.000 0.846 618 E CB 0.783 30.455 29.700 -0.046 0.000 1.460 618 E HN 0.102 nan 8.360 nan 0.000 0.463 619 K N 0.427 120.809 120.400 -0.030 0.000 2.097 619 K HA -0.395 3.925 4.320 -0.000 0.000 0.223 619 K C 1.313 177.903 176.600 -0.016 0.000 1.049 619 K CA 2.858 59.134 56.287 -0.017 0.000 0.956 619 K CB -0.306 32.191 32.500 -0.004 0.000 0.746 619 K HN 0.500 nan 8.250 nan 0.000 0.461 620 K N -0.912 119.479 120.400 -0.014 0.000 2.281 620 K HA -0.094 4.226 4.320 -0.000 0.000 0.203 620 K C 1.871 178.461 176.600 -0.016 0.000 1.046 620 K CA 1.718 58.000 56.287 -0.008 0.000 0.938 620 K CB 0.035 32.531 32.500 -0.006 0.000 0.737 620 K HN 0.262 nan 8.250 nan 0.000 0.458 621 T N -0.640 113.893 114.554 -0.035 0.000 3.042 621 T HA 0.046 4.395 4.350 -0.000 0.000 0.245 621 T C 1.159 175.825 174.700 -0.057 0.000 1.029 621 T CA 0.345 62.415 62.100 -0.049 0.000 1.120 621 T CB 0.552 69.375 68.868 -0.075 0.000 0.917 621 T HN -0.016 nan 8.240 nan 0.000 0.467 622 V N 1.604 121.480 119.914 -0.063 0.000 2.991 622 V HA 0.575 4.695 4.120 -0.000 0.000 0.355 622 V C 0.550 176.603 176.094 -0.068 0.000 1.384 622 V CA -0.159 62.089 62.300 -0.087 0.000 1.171 622 V CB -0.045 31.713 31.823 -0.108 0.000 1.190 622 V HN 0.436 nan 8.190 nan 0.000 0.540 623 G N 0.151 108.931 108.800 -0.034 0.000 2.671 623 G HA2 0.388 4.348 3.960 -0.000 0.000 0.275 623 G HA3 0.388 4.348 3.960 -0.000 0.000 0.275 623 G C 0.522 175.425 174.900 0.006 0.000 1.368 623 G CA 0.317 45.414 45.100 -0.005 0.000 1.044 623 G HN 0.561 nan 8.290 nan 0.000 0.543 624 S N -0.257 115.456 115.700 0.022 0.000 2.815 624 S HA 0.284 4.753 4.470 -0.000 0.000 0.254 624 S C 0.941 175.534 174.600 -0.010 0.000 1.197 624 S CA 0.027 58.235 58.200 0.014 0.000 1.216 624 S CB -0.869 62.344 63.200 0.022 0.000 0.871 624 S HN 0.831 nan 8.310 nan 0.000 0.473 625 S N 1.063 116.762 115.700 -0.002 0.000 2.617 625 S HA 0.273 4.743 4.470 -0.000 0.000 0.259 625 S C 1.069 175.667 174.600 -0.004 0.000 1.301 625 S CA -0.677 57.526 58.200 0.005 0.000 0.984 625 S CB 0.390 63.601 63.200 0.017 0.000 0.954 625 S HN 0.359 nan 8.310 nan 0.000 0.572 626 N N 1.329 120.048 118.700 0.031 0.000 2.038 626 N HA -0.043 4.697 4.740 -0.000 0.000 0.192 626 N C 1.520 177.178 175.510 0.245 0.000 1.080 626 N CA 1.624 54.720 53.050 0.076 0.000 0.867 626 N CB -1.191 37.359 38.487 0.105 0.000 1.055 626 N HN 0.865 nan 8.380 nan 0.000 0.430 627 G N 0.453 109.371 108.800 0.196 0.000 3.375 627 G HA2 0.292 4.252 3.960 -0.000 0.000 0.247 627 G HA3 0.292 4.252 3.960 -0.000 0.000 0.247 627 G C 0.475 175.445 174.900 0.117 0.000 1.343 627 G CA 0.051 45.256 45.100 0.174 0.000 1.368 627 G HN 0.442 nan 8.290 nan 0.000 0.549 628 G N -0.849 108.031 108.800 0.134 0.000 2.599 628 G HA2 0.298 4.258 3.960 -0.000 0.000 0.264 628 G HA3 0.298 4.258 3.960 -0.000 0.000 0.264 628 G C 1.096 176.028 174.900 0.053 0.000 1.200 628 G CA -0.748 44.392 45.100 0.067 0.000 0.896 628 G HN 0.212 nan 8.290 nan 0.000 0.536 629 L N 0.335 121.555 121.223 -0.004 0.000 2.021 629 L HA -0.167 4.173 4.340 -0.000 0.000 0.215 629 L C 2.778 179.635 176.870 -0.023 0.000 1.074 629 L CA 1.462 56.284 54.840 -0.030 0.000 0.760 629 L CB -0.257 41.757 42.059 -0.076 0.000 0.889 629 L HN 0.602 nan 8.230 nan 0.000 0.433 630 I N -1.302 119.244 120.570 -0.039 0.000 2.113 630 I HA -0.374 3.796 4.170 -0.000 0.000 0.238 630 I C 2.551 178.724 176.117 0.094 0.000 1.070 630 I CA 1.392 62.678 61.300 -0.024 0.000 1.332 630 I CB -0.702 37.274 38.000 -0.041 0.000 1.044 630 I HN 0.385 nan 8.210 nan 0.000 0.402 631 H N 1.024 120.091 119.070 -0.006 0.000 2.330 631 H HA -0.199 4.357 4.556 -0.000 0.000 0.290 631 H C 2.039 177.368 175.328 0.002 0.000 1.111 631 H CA 2.283 58.334 56.048 0.004 0.000 1.226 631 H CB -0.515 29.252 29.762 0.007 0.000 1.355 631 H HN 0.106 nan 8.280 nan 0.000 0.485 632 V N -0.539 119.413 119.914 0.062 0.000 2.231 632 V HA -0.217 3.903 4.120 -0.000 0.000 0.240 632 V C 2.861 178.959 176.094 0.007 0.000 1.039 632 V CA 1.487 63.772 62.300 -0.025 0.000 0.998 632 V CB -0.999 30.818 31.823 -0.010 0.000 0.639 632 V HN 0.296 nan 8.190 nan 0.000 0.451 633 V N 0.451 120.376 119.914 0.017 0.000 2.277 633 V HA -0.404 3.716 4.120 -0.000 0.000 0.255 633 V C 2.548 178.664 176.094 0.036 0.000 1.074 633 V CA 2.915 65.228 62.300 0.021 0.000 1.058 633 V CB -1.523 30.304 31.823 0.007 0.000 0.656 633 V HN 0.685 nan 8.190 nan 0.000 0.449 634 T N -0.535 114.052 114.554 0.055 0.000 2.607 634 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 634 T C 2.102 176.822 174.700 0.033 0.000 1.049 634 T CA 1.617 63.755 62.100 0.063 0.000 1.162 634 T CB -0.304 68.619 68.868 0.092 0.000 0.863 634 T HN 0.281 nan 8.240 nan 0.000 0.424 635 R N 0.580 121.090 120.500 0.016 0.000 2.081 635 R HA 0.012 4.352 4.340 -0.000 0.000 0.235 635 R C 2.428 178.729 176.300 0.003 0.000 1.131 635 R CA 1.296 57.388 56.100 -0.013 0.000 0.960 635 R CB -0.517 29.743 30.300 -0.066 0.000 0.856 635 R HN 0.429 nan 8.270 nan 0.000 0.436 636 E N 0.713 120.916 120.200 0.005 0.000 1.997 636 E HA -0.108 4.242 4.350 -0.000 0.000 0.196 636 E C 1.860 178.479 176.600 0.031 0.000 0.990 636 E CA 1.313 57.725 56.400 0.019 0.000 0.845 636 E CB 0.027 29.743 29.700 0.026 0.000 0.795 636 E HN -0.108 nan 8.360 nan 0.000 0.479 637 K N -0.442 119.979 120.400 0.034 0.000 2.026 637 K HA 0.088 4.408 4.320 -0.000 0.000 0.208 637 K C 0.819 177.440 176.600 0.036 0.000 1.048 637 K CA 1.258 57.568 56.287 0.037 0.000 0.929 637 K CB -0.354 32.169 32.500 0.037 0.000 0.713 637 K HN 0.347 nan 8.250 nan 0.000 0.439 638 G N -0.862 107.960 108.800 0.037 0.000 2.361 638 G HA2 0.011 3.971 3.960 -0.000 0.000 0.305 638 G HA3 0.011 3.971 3.960 -0.000 0.000 0.305 638 G C -2.620 172.305 174.900 0.041 0.000 1.367 638 G CA -0.358 44.763 45.100 0.036 0.000 0.951 638 G HN -0.188 nan 8.290 nan 0.000 0.615 639 P HA -0.057 nan 4.420 nan 0.000 0.215 639 P C 1.324 178.650 177.300 0.043 0.000 1.157 639 P CA 1.154 64.274 63.100 0.033 0.000 0.856 639 P CB 0.241 31.948 31.700 0.011 0.000 0.786 640 Q N -0.036 119.784 119.800 0.033 0.000 2.084 640 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 640 Q C 2.385 178.417 176.000 0.052 0.000 0.978 640 Q CA 1.274 57.097 55.803 0.035 0.000 0.844 640 Q CB -1.039 27.713 28.738 0.023 0.000 0.898 640 Q HN 0.141 nan 8.270 nan 0.000 0.426 641 V N 0.257 120.201 119.914 0.051 0.000 2.343 641 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 641 V C 2.523 178.665 176.094 0.080 0.000 1.051 641 V CA 1.689 64.023 62.300 0.056 0.000 1.036 641 V CB -0.787 31.063 31.823 0.046 0.000 0.654 641 V HN 0.480 nan 8.190 nan 0.000 0.451 642 C N 0.445 119.804 119.300 0.097 0.000 2.446 642 C HA -0.031 4.428 4.460 -0.000 0.000 0.277 642 C C 3.113 178.265 174.990 0.270 0.000 1.275 642 C CA 0.689 59.795 59.018 0.147 0.000 1.727 642 C CB -1.215 26.621 27.740 0.161 0.000 2.010 642 C HN 0.575 nan 8.230 nan 0.000 0.486 643 A N 0.307 123.257 122.820 0.216 0.000 1.892 643 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 643 A C 2.283 180.016 177.584 0.249 0.000 1.188 643 A CA 2.234 54.400 52.037 0.214 0.000 0.631 643 A CB -0.858 18.183 19.000 0.069 0.000 0.822 643 A HN 0.748 nan 8.150 nan 0.000 0.447 644 K N -1.037 119.455 120.400 0.154 0.000 2.152 644 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 644 K C 1.870 178.557 176.600 0.145 0.000 1.048 644 K CA 1.357 57.718 56.287 0.123 0.000 0.933 644 K CB -0.308 32.238 32.500 0.078 0.000 0.721 644 K HN 0.395 nan 8.250 nan 0.000 0.447 645 L N 0.652 121.961 121.223 0.143 0.000 1.990 645 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 645 L C 1.665 178.571 176.870 0.061 0.000 1.072 645 L CA 1.783 56.658 54.840 0.057 0.000 0.755 645 L CB -0.751 41.285 42.059 -0.038 0.000 0.889 645 L HN 0.082 nan 8.230 nan 0.000 0.432 646 F N 0.350 120.319 119.950 0.032 0.000 2.027 646 F HA -0.196 4.331 4.527 -0.000 0.000 0.297 646 F C 2.568 178.395 175.800 0.046 0.000 1.129 646 F CA 1.939 59.962 58.000 0.038 0.000 1.195 646 F CB -1.646 37.380 39.000 0.043 0.000 0.960 646 F HN 0.234 nan 8.300 nan 0.000 0.485 647 G N 0.318 109.285 108.800 0.277 0.000 2.766 647 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.222 647 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.222 647 G C 1.596 176.579 174.900 0.138 0.000 1.225 647 G CA 1.647 46.847 45.100 0.168 0.000 0.784 647 G HN 0.315 nan 8.290 nan 0.000 0.631 648 N N 0.981 119.746 118.700 0.110 0.000 1.997 648 N HA -0.146 4.594 4.740 -0.000 0.000 0.198 648 N C 2.297 177.858 175.510 0.086 0.000 1.070 648 N CA 1.503 54.610 53.050 0.094 0.000 0.864 648 N CB -0.931 37.597 38.487 0.069 0.000 1.066 648 N HN 0.442 nan 8.380 nan 0.000 0.425 649 I N 1.721 122.314 120.570 0.039 0.000 2.267 649 I HA -0.449 3.721 4.170 -0.000 0.000 0.239 649 I C 2.487 178.629 176.117 0.040 0.000 0.984 649 I CA 1.764 63.067 61.300 0.005 0.000 1.272 649 I CB -0.635 37.336 38.000 -0.049 0.000 0.976 649 I HN 0.321 nan 8.210 nan 0.000 0.407 650 Q N 0.723 120.571 119.800 0.081 0.000 1.985 650 Q HA -0.275 4.064 4.340 -0.000 0.000 0.207 650 Q C 2.239 178.322 176.000 0.137 0.000 0.996 650 Q CA 1.983 57.852 55.803 0.111 0.000 0.851 650 Q CB -0.369 28.459 28.738 0.150 0.000 0.921 650 Q HN 0.538 nan 8.270 nan 0.000 0.418 651 K N 0.218 120.740 120.400 0.203 0.000 2.052 651 K HA -0.214 4.106 4.320 -0.000 0.000 0.215 651 K C 2.195 178.919 176.600 0.207 0.000 1.053 651 K CA 1.974 58.471 56.287 0.350 0.000 0.934 651 K CB -0.473 32.301 32.500 0.456 0.000 0.717 651 K HN 0.041 nan 8.250 nan 0.000 0.450 652 V N 1.000 121.001 119.914 0.145 0.000 2.216 652 V HA -0.249 3.871 4.120 -0.000 0.000 0.243 652 V C 2.352 178.473 176.094 0.044 0.000 1.044 652 V CA 1.739 64.080 62.300 0.069 0.000 0.995 652 V CB -0.598 31.241 31.823 0.027 0.000 0.633 652 V HN 0.098 nan 8.190 nan 0.000 0.446 653 V N 0.973 120.896 119.914 0.016 0.000 2.222 653 V HA -0.366 3.753 4.120 -0.000 0.000 0.252 653 V C 2.398 178.544 176.094 0.087 0.000 1.060 653 V CA 2.568 64.883 62.300 0.025 0.000 1.027 653 V CB -1.086 30.730 31.823 -0.013 0.000 0.644 653 V HN 0.604 nan 8.190 nan 0.000 0.448 654 N N -0.183 118.548 118.700 0.052 0.000 2.027 654 N HA -0.273 4.467 4.740 -0.000 0.000 0.200 654 N C 1.752 177.214 175.510 -0.079 0.000 1.042 654 N CA 2.342 55.407 53.050 0.026 0.000 0.871 654 N CB -0.783 37.741 38.487 0.062 0.000 1.063 654 N HN 0.550 nan 8.380 nan 0.000 0.438 655 F N 0.395 120.137 119.950 -0.348 0.000 2.192 655 F HA -0.198 4.329 4.527 -0.000 0.000 0.301 655 F C 2.336 177.828 175.800 -0.514 0.000 1.079 655 F CA 1.419 59.031 58.000 -0.646 0.000 1.303 655 F CB -0.544 37.668 39.000 -1.313 0.000 1.024 655 F HN 0.230 nan 8.300 nan 0.000 0.494 656 W N 0.677 121.559 121.300 -0.696 0.000 2.408 656 W HA -0.122 4.537 4.660 -0.000 0.000 0.311 656 W C 2.086 178.323 176.519 -0.470 0.000 1.190 656 W CA 1.494 58.449 57.345 -0.651 0.000 1.321 656 W CB -0.698 28.563 29.460 -0.332 0.000 1.143 656 W HN 0.076 nan 8.180 nan 0.000 0.501 657 L N 1.324 122.530 121.223 -0.028 0.000 2.353 657 L HA -0.097 4.243 4.340 -0.000 0.000 0.220 657 L C 2.030 178.720 176.870 -0.300 0.000 1.133 657 L CA 1.765 56.490 54.840 -0.193 0.000 0.798 657 L CB -1.376 40.747 42.059 0.107 0.000 0.922 657 L HN 0.260 nan 8.230 nan 0.000 0.445 658 L N -0.688 120.330 121.223 -0.342 0.000 2.046 658 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 658 L C 2.266 179.085 176.870 -0.086 0.000 1.077 658 L CA 1.903 56.626 54.840 -0.196 0.000 0.747 658 L CB -0.823 41.124 42.059 -0.187 0.000 0.896 658 L HN 0.409 nan 8.230 nan 0.000 0.432 659 H N -1.910 116.859 119.070 -0.502 0.000 2.497 659 H HA 0.118 4.674 4.556 -0.000 0.000 0.282 659 H C 1.882 176.936 175.328 -0.456 0.000 1.003 659 H CA 0.903 56.689 56.048 -0.436 0.000 1.307 659 H CB -0.515 28.962 29.762 -0.476 0.000 1.437 659 H HN 0.419 nan 8.280 nan 0.000 0.544 660 N N 0.767 119.126 118.700 -0.568 0.000 2.512 660 N HA -0.011 4.729 4.740 -0.000 0.000 0.183 660 N C 0.489 175.833 175.510 -0.276 0.000 1.073 660 N CA 0.724 53.420 53.050 -0.589 0.000 0.911 660 N CB 0.269 38.028 38.487 -1.213 0.000 0.964 660 N HN 0.437 nan 8.380 nan 0.000 0.447 661 G N -0.397 108.293 108.800 -0.183 0.000 3.016 661 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.518 661 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.518 661 G C -0.732 174.230 174.900 0.102 0.000 1.586 661 G CA 0.141 45.215 45.100 -0.044 0.000 1.051 661 G HN 0.364 nan 8.290 nan 0.000 0.572 662 F N 0.585 120.498 119.950 -0.061 0.000 2.708 662 F HA 0.665 5.191 4.527 -0.000 0.000 0.309 662 F C -0.067 175.724 175.800 -0.015 0.000 1.120 662 F CA 0.487 58.471 58.000 -0.028 0.000 0.978 662 F CB 1.459 40.454 39.000 -0.007 0.000 1.283 662 F HN 1.637 nan 8.300 nan 0.000 0.439 663 S N 2.480 117.522 115.700 -1.097 0.000 2.815 663 S HA 0.900 5.369 4.470 -0.000 0.000 0.296 663 S C -1.669 172.501 174.600 -0.718 0.000 1.224 663 S CA -0.015 57.783 58.200 -0.669 0.000 0.938 663 S CB 1.668 64.684 63.200 -0.307 0.000 1.285 663 S HN 0.957 nan 8.310 nan 0.000 0.549 664 T N -0.128 114.222 114.554 -0.340 0.000 2.893 664 T HA 0.725 5.075 4.350 -0.000 0.000 0.337 664 T C -0.689 173.938 174.700 -0.122 0.000 1.587 664 T CA -0.073 61.898 62.100 -0.216 0.000 1.066 664 T CB 1.327 70.109 68.868 -0.144 0.000 1.414 664 T HN 1.552 nan 8.240 nan 0.000 0.488 665 G N 0.741 109.492 108.800 -0.083 0.000 2.616 665 G HA2 0.482 4.442 3.960 -0.000 0.000 0.294 665 G HA3 0.482 4.442 3.960 -0.000 0.000 0.294 665 G C 0.610 175.491 174.900 -0.033 0.000 1.489 665 G CA -0.446 44.622 45.100 -0.054 0.000 0.836 665 G HN 0.769 nan 8.290 nan 0.000 0.527 666 I N 0.197 120.754 120.570 -0.021 0.000 2.271 666 I HA -0.266 3.904 4.170 -0.000 0.000 0.252 666 I C 2.504 178.618 176.117 -0.005 0.000 1.043 666 I CA 2.393 63.688 61.300 -0.008 0.000 1.337 666 I CB -1.359 36.638 38.000 -0.006 0.000 1.024 666 I HN 0.696 nan 8.210 nan 0.000 0.437 667 G N 0.090 108.883 108.800 -0.013 0.000 2.462 667 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.220 667 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.220 667 G C 1.296 176.194 174.900 -0.003 0.000 1.121 667 G CA 1.078 46.173 45.100 -0.008 0.000 0.758 667 G HN 0.539 nan 8.290 nan 0.000 0.559 668 D N -0.070 120.326 120.400 -0.007 0.000 2.363 668 D HA -0.039 4.601 4.640 -0.000 0.000 0.220 668 D C 2.398 178.709 176.300 0.019 0.000 0.994 668 D CA 1.356 55.359 54.000 0.005 0.000 0.890 668 D CB 0.131 40.928 40.800 -0.005 0.000 0.906 668 D HN 0.514 nan 8.370 nan 0.000 0.530 669 T N -1.794 112.771 114.554 0.017 0.000 3.069 669 T HA 0.225 4.575 4.350 -0.000 0.000 0.252 669 T C 0.967 175.683 174.700 0.027 0.000 1.053 669 T CA -0.271 61.845 62.100 0.028 0.000 0.964 669 T CB 0.075 68.961 68.868 0.030 0.000 1.005 669 T HN -0.024 nan 8.240 nan 0.000 0.532 670 I N 1.526 122.109 120.570 0.021 0.000 2.412 670 I HA 0.753 4.923 4.170 -0.000 0.000 0.296 670 I C 0.095 176.226 176.117 0.023 0.000 0.987 670 I CA -1.542 59.770 61.300 0.020 0.000 1.180 670 I CB 1.597 39.605 38.000 0.014 0.000 1.340 670 I HN 0.058 nan 8.210 nan 0.000 0.455 671 A N 3.453 126.288 122.820 0.024 0.000 2.325 671 A HA 0.394 4.714 4.320 -0.000 0.000 0.333 671 A C -0.497 177.100 177.584 0.023 0.000 1.155 671 A CA -0.577 51.476 52.037 0.027 0.000 0.814 671 A CB 0.865 19.885 19.000 0.033 0.000 1.206 671 A HN 0.792 nan 8.150 nan 0.000 0.482 672 D N 1.492 121.906 120.400 0.023 0.000 3.139 672 D HA 0.091 4.731 4.640 -0.000 0.000 0.212 672 D C 1.703 178.013 176.300 0.018 0.000 1.084 672 D CA 1.778 55.790 54.000 0.019 0.000 0.777 672 D CB 0.437 41.249 40.800 0.020 0.000 1.156 672 D HN 0.691 nan 8.370 nan 0.000 0.537 673 G N 5.395 114.204 108.800 0.015 0.000 2.783 673 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.225 673 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.225 673 G C -0.557 174.352 174.900 0.015 0.000 1.191 673 G CA 1.122 46.230 45.100 0.014 0.000 0.774 673 G HN 0.624 nan 8.290 nan 0.000 0.632 674 P HA -0.056 nan 4.420 nan 0.000 0.217 674 P C 1.760 179.071 177.300 0.018 0.000 1.150 674 P CA 1.955 65.064 63.100 0.015 0.000 0.832 674 P CB -0.473 31.235 31.700 0.014 0.000 0.787 675 T N -0.190 114.377 114.554 0.021 0.000 2.822 675 T HA -0.140 4.210 4.350 -0.000 0.000 0.270 675 T C 1.887 176.603 174.700 0.026 0.000 1.064 675 T CA 1.226 63.341 62.100 0.025 0.000 1.131 675 T CB -0.418 68.467 68.868 0.028 0.000 0.858 675 T HN 0.018 nan 8.240 nan 0.000 0.483 676 M N 0.498 120.112 119.600 0.023 0.000 2.073 676 M HA 0.053 4.533 4.480 -0.000 0.000 0.259 676 M C 2.467 178.779 176.300 0.022 0.000 1.079 676 M CA 1.360 56.673 55.300 0.021 0.000 1.131 676 M CB -0.996 31.614 32.600 0.017 0.000 1.316 676 M HN 0.132 nan 8.290 nan 0.000 0.415 677 R N 0.574 121.085 120.500 0.019 0.000 2.113 677 R HA -0.239 4.101 4.340 -0.000 0.000 0.244 677 R C 2.009 178.321 176.300 0.020 0.000 1.142 677 R CA 2.246 58.357 56.100 0.018 0.000 0.953 677 R CB -0.358 29.951 30.300 0.015 0.000 0.860 677 R HN 0.462 nan 8.270 nan 0.000 0.438 678 E N 0.070 120.283 120.200 0.021 0.000 2.209 678 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 678 E C 1.858 178.474 176.600 0.027 0.000 0.993 678 E CA 1.336 57.749 56.400 0.022 0.000 0.819 678 E CB -0.029 29.685 29.700 0.023 0.000 0.745 678 E HN 0.480 nan 8.360 nan 0.000 0.477 679 I N 0.070 120.658 120.570 0.031 0.000 2.235 679 I HA -0.186 3.984 4.170 -0.000 0.000 0.241 679 I C 2.336 178.477 176.117 0.040 0.000 1.085 679 I CA 1.141 62.464 61.300 0.038 0.000 1.378 679 I CB -0.506 37.517 38.000 0.039 0.000 1.076 679 I HN 0.100 nan 8.210 nan 0.000 0.415 680 T N 1.174 115.748 114.554 0.034 0.000 2.721 680 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 680 T C 1.557 176.278 174.700 0.034 0.000 1.038 680 T CA 2.030 64.151 62.100 0.036 0.000 1.145 680 T CB -0.466 68.419 68.868 0.028 0.000 0.858 680 T HN 0.614 nan 8.240 nan 0.000 0.459 681 E N 0.303 120.519 120.200 0.026 0.000 2.385 681 E HA 0.004 4.354 4.350 -0.000 0.000 0.194 681 E C 1.615 178.224 176.600 0.015 0.000 1.013 681 E CA 0.713 57.123 56.400 0.018 0.000 0.866 681 E CB -0.326 29.381 29.700 0.012 0.000 0.832 681 E HN 0.271 nan 8.360 nan 0.000 0.500 682 T N 0.986 115.555 114.554 0.024 0.000 3.055 682 T HA 0.126 4.476 4.350 -0.000 0.000 0.265 682 T C 1.670 176.387 174.700 0.028 0.000 1.111 682 T CA 0.452 62.566 62.100 0.024 0.000 1.118 682 T CB -0.009 68.881 68.868 0.036 0.000 0.909 682 T HN 0.192 nan 8.240 nan 0.000 0.501 683 I N 0.910 121.506 120.570 0.043 0.000 2.364 683 I HA 0.060 4.230 4.170 -0.000 0.000 0.241 683 I C 2.929 179.055 176.117 0.015 0.000 1.082 683 I CA 0.618 61.954 61.300 0.061 0.000 1.401 683 I CB -0.563 37.508 38.000 0.119 0.000 1.126 683 I HN 0.113 nan 8.210 nan 0.000 0.429 684 A N 1.807 124.638 122.820 0.019 0.000 1.903 684 A HA -0.315 4.005 4.320 -0.000 0.000 0.219 684 A C 2.200 179.767 177.584 -0.027 0.000 1.191 684 A CA 2.573 54.611 52.037 0.001 0.000 0.638 684 A CB -1.054 17.951 19.000 0.008 0.000 0.823 684 A HN 0.678 nan 8.150 nan 0.000 0.451 685 E N -0.167 120.016 120.200 -0.030 0.000 2.153 685 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 685 E C 1.784 178.326 176.600 -0.096 0.000 0.988 685 E CA 1.268 57.635 56.400 -0.054 0.000 0.811 685 E CB -0.411 29.262 29.700 -0.045 0.000 0.746 685 E HN 0.501 nan 8.360 nan 0.000 0.466 686 A N 0.809 123.575 122.820 -0.089 0.000 2.119 686 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 686 A C 1.948 179.441 177.584 -0.152 0.000 1.152 686 A CA 0.921 52.877 52.037 -0.134 0.000 0.708 686 A CB -0.154 18.794 19.000 -0.087 0.000 0.805 686 A HN 0.146 nan 8.150 nan 0.000 0.460 687 K N -0.287 120.048 120.400 -0.109 0.000 2.067 687 K HA 0.025 4.345 4.320 -0.000 0.000 0.203 687 K C 1.913 178.470 176.600 -0.071 0.000 1.048 687 K CA 1.024 57.255 56.287 -0.093 0.000 0.954 687 K CB -0.095 32.374 32.500 -0.052 0.000 0.737 687 K HN 0.290 nan 8.250 nan 0.000 0.444 688 K N 1.226 121.586 120.400 -0.067 0.000 2.147 688 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 688 K C 1.880 178.426 176.600 -0.089 0.000 1.049 688 K CA 1.077 57.330 56.287 -0.056 0.000 0.936 688 K CB 0.045 32.516 32.500 -0.048 0.000 0.722 688 K HN -0.021 nan 8.250 nan 0.000 0.446 689 K N 0.682 120.978 120.400 -0.173 0.000 2.574 689 K HA -0.072 4.248 4.320 -0.000 0.000 0.193 689 K C 1.328 177.776 176.600 -0.253 0.000 1.035 689 K CA 0.390 56.489 56.287 -0.314 0.000 0.982 689 K CB 0.334 32.493 32.500 -0.568 0.000 0.795 689 K HN -0.043 nan 8.250 nan 0.000 0.491 690 V N 0.106 119.974 119.914 -0.077 0.000 2.721 690 V HA -0.128 3.992 4.120 -0.000 0.000 0.236 690 V C 1.772 177.938 176.094 0.121 0.000 1.116 690 V CA 0.624 62.977 62.300 0.089 0.000 1.148 690 V CB -0.189 31.666 31.823 0.052 0.000 0.886 690 V HN 0.280 nan 8.190 nan 0.000 0.490 691 L N 1.129 122.390 121.223 0.064 0.000 2.034 691 L HA -0.281 4.059 4.340 -0.000 0.000 0.217 691 L C 1.891 178.803 176.870 0.071 0.000 1.077 691 L CA 2.591 57.473 54.840 0.069 0.000 0.769 691 L CB -1.023 41.054 42.059 0.031 0.000 0.890 691 L HN 0.367 nan 8.230 nan 0.000 0.435 692 D N -0.541 119.887 120.400 0.047 0.000 2.127 692 D HA -0.206 4.434 4.640 -0.000 0.000 0.190 692 D C 2.195 178.545 176.300 0.084 0.000 1.000 692 D CA 2.073 56.100 54.000 0.044 0.000 0.839 692 D CB -0.447 40.363 40.800 0.017 0.000 0.955 692 D HN 0.315 nan 8.370 nan 0.000 0.446 693 V N 0.396 120.402 119.914 0.153 0.000 2.809 693 V HA -0.159 3.961 4.120 -0.000 0.000 0.256 693 V C 2.237 178.466 176.094 0.225 0.000 1.080 693 V CA 1.639 64.074 62.300 0.224 0.000 1.102 693 V CB -0.613 31.430 31.823 0.365 0.000 0.705 693 V HN 0.244 nan 8.190 nan 0.000 0.475 694 T N -0.412 114.278 114.554 0.227 0.000 2.812 694 T HA -0.146 4.203 4.350 -0.000 0.000 0.264 694 T C 1.958 176.616 174.700 -0.071 0.000 1.042 694 T CA 1.233 63.404 62.100 0.118 0.000 1.140 694 T CB -0.112 68.873 68.868 0.194 0.000 0.870 694 T HN 0.441 nan 8.240 nan 0.000 0.445 695 K N 0.843 121.237 120.400 -0.010 0.000 2.116 695 K HA 0.011 4.331 4.320 -0.000 0.000 0.203 695 K C 2.221 178.792 176.600 -0.048 0.000 1.052 695 K CA 0.715 56.980 56.287 -0.037 0.000 0.952 695 K CB -0.057 32.438 32.500 -0.009 0.000 0.729 695 K HN 0.371 nan 8.250 nan 0.000 0.446 696 E N 0.150 120.340 120.200 -0.017 0.000 2.515 696 E HA -0.114 4.236 4.350 -0.000 0.000 0.201 696 E C 0.893 177.463 176.600 -0.050 0.000 1.071 696 E CA 0.370 56.763 56.400 -0.011 0.000 0.880 696 E CB 0.193 29.913 29.700 0.033 0.000 0.828 696 E HN 0.297 nan 8.360 nan 0.000 0.540 697 A N -0.267 122.477 122.820 -0.128 0.000 2.312 697 A HA 0.126 4.446 4.320 -0.000 0.000 0.215 697 A C 1.395 178.836 177.584 -0.240 0.000 1.256 697 A CA -0.291 51.613 52.037 -0.221 0.000 0.966 697 A CB 0.407 19.139 19.000 -0.446 0.000 1.053 697 A HN 0.158 nan 8.150 nan 0.000 0.510 698 Q N -0.355 119.324 119.800 -0.202 0.000 2.247 698 Q HA 0.353 4.693 4.340 -0.000 0.000 0.205 698 Q C 1.172 177.110 176.000 -0.103 0.000 0.896 698 Q CA 0.428 56.131 55.803 -0.167 0.000 0.950 698 Q CB 0.316 28.968 28.738 -0.143 0.000 1.054 698 Q HN 0.613 nan 8.270 nan 0.000 0.482 699 A N 0.480 123.246 122.820 -0.091 0.000 2.211 699 A HA 0.102 4.421 4.320 -0.000 0.000 0.208 699 A C 0.899 178.451 177.584 -0.053 0.000 1.250 699 A CA 0.489 52.491 52.037 -0.058 0.000 0.935 699 A CB 0.323 19.298 19.000 -0.042 0.000 0.982 699 A HN 0.418 nan 8.150 nan 0.000 0.490 700 N N -1.851 116.808 118.700 -0.068 0.000 2.979 700 N HA -0.134 4.606 4.740 -0.000 0.000 0.234 700 N C -0.016 175.473 175.510 -0.035 0.000 0.938 700 N CA 0.990 54.007 53.050 -0.055 0.000 0.961 700 N CB -2.083 36.378 38.487 -0.042 0.000 1.089 700 N HN 0.341 nan 8.380 nan 0.000 0.576 701 L N 0.367 121.571 121.223 -0.032 0.000 2.777 701 L HA 0.245 4.585 4.340 -0.000 0.000 0.244 701 L C 0.179 177.047 176.870 -0.004 0.000 1.235 701 L CA 0.332 55.163 54.840 -0.014 0.000 1.062 701 L CB -0.261 41.792 42.059 -0.010 0.000 1.340 701 L HN 0.193 nan 8.230 nan 0.000 0.439 702 L N -0.130 121.089 121.223 -0.006 0.000 2.356 702 L HA 0.349 4.689 4.340 -0.000 0.000 0.277 702 L C 0.107 176.987 176.870 0.016 0.000 0.996 702 L CA -0.394 54.453 54.840 0.012 0.000 0.822 702 L CB 2.328 44.396 42.059 0.014 0.000 1.256 702 L HN -0.010 nan 8.230 nan 0.000 0.413 703 T N 2.960 117.529 114.554 0.026 0.000 2.784 703 T HA 0.187 4.537 4.350 -0.000 0.000 0.291 703 T C 0.491 175.212 174.700 0.035 0.000 0.942 703 T CA -0.352 61.765 62.100 0.028 0.000 1.161 703 T CB 0.697 69.583 68.868 0.030 0.000 0.885 703 T HN 0.614 nan 8.240 nan 0.000 0.534 704 A N 5.236 128.075 122.820 0.033 0.000 2.444 704 A HA 0.225 4.545 4.320 -0.000 0.000 0.287 704 A C 0.623 178.239 177.584 0.053 0.000 1.195 704 A CA -0.451 51.609 52.037 0.038 0.000 0.858 704 A CB -0.156 18.862 19.000 0.029 0.000 1.117 704 A HN 0.797 nan 8.150 nan 0.000 0.521 705 K N 2.200 122.633 120.400 0.055 0.000 2.448 705 K HA 0.015 4.335 4.320 -0.000 0.000 0.278 705 K C 0.033 176.692 176.600 0.098 0.000 1.009 705 K CA -0.113 56.219 56.287 0.074 0.000 0.995 705 K CB 0.279 32.814 32.500 0.058 0.000 0.917 705 K HN 0.802 nan 8.250 nan 0.000 0.481 706 H N 0.816 119.894 119.070 0.015 0.000 3.167 706 H HA -0.025 4.531 4.556 -0.000 0.000 0.306 706 H C 1.293 176.628 175.328 0.013 0.000 0.965 706 H CA 1.963 58.018 56.048 0.011 0.000 1.408 706 H CB 0.018 29.786 29.762 0.010 0.000 1.406 706 H HN 0.831 nan 8.280 nan 0.000 0.576 707 G N 3.584 112.185 108.800 -0.332 0.000 2.176 707 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.253 707 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.253 707 G C 0.048 174.888 174.900 -0.100 0.000 0.979 707 G CA 0.272 45.228 45.100 -0.240 0.000 0.641 707 G HN 0.633 nan 8.290 nan 0.000 0.530 708 M N 0.938 120.505 119.600 -0.055 0.000 2.457 708 M HA 0.419 4.899 4.480 -0.000 0.000 0.300 708 M C 0.297 176.595 176.300 -0.004 0.000 1.141 708 M CA -0.660 54.628 55.300 -0.020 0.000 0.901 708 M CB 2.131 34.730 32.600 -0.001 0.000 1.687 708 M HN 0.030 nan 8.290 nan 0.000 0.449 709 T N 1.855 116.412 114.554 0.005 0.000 2.855 709 T HA 0.066 4.416 4.350 -0.000 0.000 0.322 709 T C 1.372 176.090 174.700 0.030 0.000 1.088 709 T CA -0.231 61.878 62.100 0.016 0.000 1.104 709 T CB 0.453 69.336 68.868 0.025 0.000 0.996 709 T HN 0.432 nan 8.240 nan 0.000 0.549 710 L N 1.584 122.822 121.223 0.026 0.000 2.127 710 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 710 L C 2.580 179.487 176.870 0.062 0.000 1.089 710 L CA 1.701 56.559 54.840 0.029 0.000 0.757 710 L CB -0.733 41.326 42.059 0.001 0.000 0.899 710 L HN 0.497 nan 8.230 nan 0.000 0.434 711 R N -0.277 120.265 120.500 0.070 0.000 2.056 711 R HA -0.077 4.263 4.340 -0.000 0.000 0.227 711 R C 2.260 178.657 176.300 0.162 0.000 1.149 711 R CA 1.135 57.318 56.100 0.137 0.000 0.937 711 R CB -0.264 30.107 30.300 0.118 0.000 0.835 711 R HN 0.336 nan 8.270 nan 0.000 0.430 712 E N -0.195 120.059 120.200 0.089 0.000 2.136 712 E HA -0.264 4.086 4.350 -0.000 0.000 0.202 712 E C 1.939 178.566 176.600 0.045 0.000 1.019 712 E CA 1.875 58.305 56.400 0.051 0.000 0.819 712 E CB -0.160 29.554 29.700 0.022 0.000 0.739 712 E HN 0.236 nan 8.360 nan 0.000 0.458 713 S N 0.200 115.938 115.700 0.063 0.000 2.423 713 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 713 S C 1.446 176.102 174.600 0.093 0.000 1.014 713 S CA 0.590 58.822 58.200 0.054 0.000 0.965 713 S CB -0.225 63.008 63.200 0.055 0.000 0.785 713 S HN 0.287 nan 8.310 nan 0.000 0.495 714 F N 3.040 122.980 119.950 -0.018 0.000 2.084 714 F HA -0.069 4.458 4.527 -0.000 0.000 0.296 714 F C 2.183 177.972 175.800 -0.018 0.000 1.111 714 F CA 1.423 59.415 58.000 -0.013 0.000 1.224 714 F CB -0.690 38.310 39.000 -0.000 0.000 0.991 714 F HN 0.086 nan 8.300 nan 0.000 0.471 715 E N 0.195 120.230 120.200 -0.276 0.000 2.038 715 E HA -0.287 4.063 4.350 -0.000 0.000 0.195 715 E C 2.074 178.501 176.600 -0.289 0.000 1.000 715 E CA 1.499 57.665 56.400 -0.391 0.000 0.803 715 E CB -0.978 28.616 29.700 -0.177 0.000 0.750 715 E HN 0.503 nan 8.360 nan 0.000 0.448 716 D N 0.977 121.273 120.400 -0.173 0.000 2.191 716 D HA -0.213 4.427 4.640 -0.000 0.000 0.190 716 D C 1.522 177.674 176.300 -0.246 0.000 1.007 716 D CA 1.202 55.107 54.000 -0.157 0.000 0.865 716 D CB -0.062 40.680 40.800 -0.097 0.000 0.929 716 D HN 0.119 nan 8.370 nan 0.000 0.447 717 N N -0.121 118.393 118.700 -0.310 0.000 2.207 717 N HA -0.099 4.641 4.740 -0.000 0.000 0.182 717 N C 2.190 177.293 175.510 -0.680 0.000 1.020 717 N CA 0.660 53.376 53.050 -0.556 0.000 0.858 717 N CB -0.393 37.817 38.487 -0.462 0.000 0.991 717 N HN 0.150 nan 8.380 nan 0.000 0.427 718 V N 1.790 121.437 119.914 -0.445 0.000 2.215 718 V HA -0.250 3.870 4.120 -0.000 0.000 0.249 718 V C 2.607 178.587 176.094 -0.189 0.000 1.054 718 V CA 1.652 63.776 62.300 -0.294 0.000 1.012 718 V CB -0.956 30.581 31.823 -0.476 0.000 0.639 718 V HN 0.020 nan 8.190 nan 0.000 0.448 719 V N -0.168 119.623 119.914 -0.204 0.000 2.220 719 V HA -0.359 3.761 4.120 -0.000 0.000 0.250 719 V C 2.544 178.589 176.094 -0.081 0.000 1.056 719 V CA 2.612 64.843 62.300 -0.114 0.000 1.016 719 V CB -0.865 30.895 31.823 -0.105 0.000 0.639 719 V HN 0.461 nan 8.190 nan 0.000 0.446 720 R N -1.349 119.061 120.500 -0.149 0.000 2.332 720 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 720 R C 2.109 178.400 176.300 -0.014 0.000 1.160 720 R CA 1.587 57.615 56.100 -0.120 0.000 1.020 720 R CB -0.248 29.923 30.300 -0.215 0.000 0.859 720 R HN 0.606 nan 8.270 nan 0.000 0.478 721 F N -0.757 119.158 119.950 -0.058 0.000 2.243 721 F HA -0.072 4.455 4.527 -0.000 0.000 0.287 721 F C 2.091 177.844 175.800 -0.079 0.000 1.067 721 F CA -0.011 57.952 58.000 -0.061 0.000 1.304 721 F CB -0.071 38.881 39.000 -0.080 0.000 1.087 721 F HN -0.065 nan 8.300 nan 0.000 0.513 722 L N 0.372 121.640 121.223 0.074 0.000 1.971 722 L HA -0.313 4.027 4.340 -0.000 0.000 0.215 722 L C 2.123 179.047 176.870 0.090 0.000 1.072 722 L CA 1.386 56.169 54.840 -0.095 0.000 0.758 722 L CB -0.885 41.010 42.059 -0.273 0.000 0.889 722 L HN 0.129 nan 8.230 nan 0.000 0.433 723 N N -0.115 118.656 118.700 0.118 0.000 2.069 723 N HA -0.252 4.488 4.740 -0.000 0.000 0.191 723 N C 1.799 177.387 175.510 0.129 0.000 1.031 723 N CA 1.385 54.516 53.050 0.135 0.000 0.852 723 N CB -0.336 38.206 38.487 0.092 0.000 1.018 723 N HN 0.377 nan 8.380 nan 0.000 0.423 724 E N 0.037 120.311 120.200 0.124 0.000 2.333 724 E HA -0.132 4.218 4.350 -0.000 0.000 0.200 724 E C 1.458 178.128 176.600 0.118 0.000 1.010 724 E CA 0.923 57.399 56.400 0.126 0.000 0.841 724 E CB 0.085 29.881 29.700 0.160 0.000 0.757 724 E HN 0.409 nan 8.360 nan 0.000 0.508 725 A N 0.570 123.460 122.820 0.116 0.000 1.887 725 A HA -0.009 4.311 4.320 -0.000 0.000 0.210 725 A C 2.029 179.697 177.584 0.139 0.000 1.221 725 A CA 0.664 52.764 52.037 0.105 0.000 0.635 725 A CB -0.310 18.734 19.000 0.072 0.000 0.881 725 A HN 0.119 nan 8.150 nan 0.000 0.456 726 R N 0.227 120.837 120.500 0.185 0.000 2.117 726 R HA -0.239 4.101 4.340 -0.000 0.000 0.243 726 R C 1.340 177.707 176.300 0.112 0.000 1.143 726 R CA 2.354 58.550 56.100 0.159 0.000 0.968 726 R CB -0.515 29.882 30.300 0.161 0.000 0.863 726 R HN 0.531 nan 8.270 nan 0.000 0.444 727 D N 0.145 120.629 120.400 0.141 0.000 2.075 727 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 727 D C 1.759 178.215 176.300 0.261 0.000 0.985 727 D CA 2.038 56.167 54.000 0.215 0.000 0.834 727 D CB -0.100 40.833 40.800 0.222 0.000 0.987 727 D HN 0.382 nan 8.370 nan 0.000 0.452 728 K N 0.664 121.169 120.400 0.175 0.000 2.442 728 K HA 0.047 4.367 4.320 -0.000 0.000 0.198 728 K C 1.741 178.419 176.600 0.129 0.000 1.044 728 K CA 1.059 57.428 56.287 0.137 0.000 0.948 728 K CB 0.056 32.610 32.500 0.090 0.000 0.762 728 K HN 0.095 nan 8.250 nan 0.000 0.472 729 A N 1.561 124.460 122.820 0.131 0.000 1.872 729 A HA 0.059 4.379 4.320 -0.000 0.000 0.214 729 A C 2.459 180.115 177.584 0.120 0.000 1.187 729 A CA 1.353 53.452 52.037 0.104 0.000 0.614 729 A CB -1.105 17.950 19.000 0.091 0.000 0.826 729 A HN 0.507 nan 8.150 nan 0.000 0.442 730 G N -0.840 108.059 108.800 0.166 0.000 2.404 730 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.215 730 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.215 730 G C 1.608 176.708 174.900 0.333 0.000 1.174 730 G CA 0.706 45.943 45.100 0.228 0.000 0.780 730 G HN 0.482 nan 8.290 nan 0.000 0.537 731 R N -0.258 120.451 120.500 0.348 0.000 2.388 731 R HA -0.005 4.335 4.340 -0.000 0.000 0.233 731 R C 2.100 178.451 176.300 0.085 0.000 1.156 731 R CA 0.512 56.691 56.100 0.132 0.000 1.036 731 R CB -0.201 30.127 30.300 0.048 0.000 0.847 731 R HN 0.402 nan 8.270 nan 0.000 0.483 732 L N -1.957 119.330 121.223 0.107 0.000 2.200 732 L HA 0.094 4.433 4.340 -0.000 0.000 0.200 732 L C 2.466 179.379 176.870 0.072 0.000 1.072 732 L CA 0.703 55.586 54.840 0.071 0.000 0.787 732 L CB -0.501 41.596 42.059 0.064 0.000 0.957 732 L HN 0.127 nan 8.230 nan 0.000 0.459 733 A N 0.321 123.195 122.820 0.091 0.000 1.898 733 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 733 A C 2.171 179.811 177.584 0.094 0.000 1.181 733 A CA 1.700 53.786 52.037 0.082 0.000 0.620 733 A CB -0.570 18.478 19.000 0.081 0.000 0.819 733 A HN 0.477 nan 8.150 nan 0.000 0.442 734 E N -0.180 120.102 120.200 0.136 0.000 2.273 734 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 734 E C 1.029 177.667 176.600 0.064 0.000 1.002 734 E CA 1.495 57.973 56.400 0.129 0.000 0.828 734 E CB -0.043 29.754 29.700 0.161 0.000 0.747 734 E HN 0.356 nan 8.360 nan 0.000 0.491 735 V N 1.118 121.061 119.914 0.048 0.000 3.643 735 V HA 0.011 4.131 4.120 -0.000 0.000 0.280 735 V C 1.749 177.863 176.094 0.033 0.000 1.351 735 V CA 0.611 62.928 62.300 0.028 0.000 1.073 735 V CB 0.161 31.993 31.823 0.014 0.000 0.863 735 V HN 0.335 nan 8.190 nan 0.000 0.436 736 N N 0.491 119.216 118.700 0.042 0.000 2.325 736 N HA 0.104 4.844 4.740 -0.000 0.000 0.182 736 N C 0.525 176.059 175.510 0.038 0.000 1.088 736 N CA 0.056 53.128 53.050 0.037 0.000 0.879 736 N CB 0.390 38.900 38.487 0.037 0.000 0.983 736 N HN 0.372 nan 8.380 nan 0.000 0.471 737 L N 3.272 124.523 121.223 0.046 0.000 2.325 737 L HA 0.181 4.520 4.340 -0.000 0.000 0.284 737 L C 0.382 177.279 176.870 0.045 0.000 1.089 737 L CA -0.344 54.524 54.840 0.047 0.000 0.836 737 L CB 0.755 42.849 42.059 0.058 0.000 1.184 737 L HN -0.038 nan 8.230 nan 0.000 0.444 738 K N 1.945 122.369 120.400 0.040 0.000 2.344 738 K HA -0.030 4.290 4.320 -0.000 0.000 0.260 738 K C 0.054 176.682 176.600 0.047 0.000 0.988 738 K CA -0.342 55.968 56.287 0.039 0.000 0.909 738 K CB 0.505 33.026 32.500 0.035 0.000 0.968 738 K HN 0.404 nan 8.250 nan 0.000 0.505 739 D N 0.730 121.158 120.400 0.046 0.000 2.348 739 D HA -0.009 4.631 4.640 -0.000 0.000 0.248 739 D C 0.779 177.119 176.300 0.066 0.000 1.142 739 D CA 0.495 54.528 54.000 0.053 0.000 0.904 739 D CB -0.238 40.590 40.800 0.046 0.000 0.901 739 D HN 0.402 nan 8.370 nan 0.000 0.523 740 L N -2.912 118.349 121.223 0.064 0.000 2.749 740 L HA 0.305 4.645 4.340 -0.000 0.000 0.242 740 L C 0.427 177.341 176.870 0.074 0.000 1.103 740 L CA -0.461 54.422 54.840 0.072 0.000 0.906 740 L CB -0.615 41.477 42.059 0.055 0.000 1.228 740 L HN -0.264 nan 8.230 nan 0.000 0.517 741 N N 1.632 120.371 118.700 0.065 0.000 2.434 741 N HA -0.024 4.715 4.740 -0.000 0.000 0.268 741 N C 0.914 176.477 175.510 0.088 0.000 1.256 741 N CA 0.127 53.212 53.050 0.058 0.000 0.914 741 N CB 0.370 38.890 38.487 0.055 0.000 1.088 741 N HN 0.225 nan 8.380 nan 0.000 0.478 742 N N 2.948 121.687 118.700 0.066 0.000 2.018 742 N HA -0.196 4.544 4.740 -0.000 0.000 0.196 742 N C 1.434 177.053 175.510 0.182 0.000 1.043 742 N CA 1.311 54.433 53.050 0.119 0.000 0.856 742 N CB -0.464 37.935 38.487 -0.148 0.000 1.042 742 N HN 0.336 nan 8.380 nan 0.000 0.423 743 V N 1.965 121.939 119.914 0.100 0.000 2.278 743 V HA -0.281 3.839 4.120 -0.000 0.000 0.251 743 V C 2.580 178.745 176.094 0.119 0.000 1.062 743 V CA 1.859 64.224 62.300 0.108 0.000 1.038 743 V CB -0.557 31.308 31.823 0.071 0.000 0.646 743 V HN 0.411 nan 8.190 nan 0.000 0.447 744 K N -0.619 119.844 120.400 0.106 0.000 2.097 744 K HA -0.240 4.080 4.320 -0.000 0.000 0.206 744 K C 2.261 178.923 176.600 0.103 0.000 1.049 744 K CA 1.694 58.040 56.287 0.098 0.000 0.933 744 K CB -0.165 32.385 32.500 0.084 0.000 0.717 744 K HN 0.535 nan 8.250 nan 0.000 0.442 745 Q N 0.021 119.901 119.800 0.133 0.000 2.077 745 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 745 Q C 2.182 178.239 176.000 0.095 0.000 0.989 745 Q CA 2.240 58.121 55.803 0.130 0.000 0.853 745 Q CB -0.091 28.779 28.738 0.221 0.000 0.907 745 Q HN 0.431 nan 8.270 nan 0.000 0.418 746 M N -0.398 119.288 119.600 0.143 0.000 2.132 746 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 746 M C 2.211 178.551 176.300 0.067 0.000 1.065 746 M CA 1.029 56.387 55.300 0.097 0.000 1.122 746 M CB -0.179 32.513 32.600 0.154 0.000 1.365 746 M HN 0.089 nan 8.290 nan 0.000 0.411 747 V N 0.490 120.453 119.914 0.081 0.000 2.407 747 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 747 V C 2.333 178.458 176.094 0.051 0.000 1.055 747 V CA 1.664 64.006 62.300 0.071 0.000 1.049 747 V CB -0.693 31.183 31.823 0.088 0.000 0.662 747 V HN 0.518 nan 8.190 nan 0.000 0.455 748 M N -0.074 119.552 119.600 0.044 0.000 2.156 748 M HA -0.053 4.427 4.480 -0.000 0.000 0.264 748 M C 2.420 178.724 176.300 0.007 0.000 1.067 748 M CA 1.906 57.221 55.300 0.025 0.000 1.131 748 M CB -0.550 32.065 32.600 0.025 0.000 1.368 748 M HN 0.383 nan 8.290 nan 0.000 0.416 749 A N 0.000 122.819 122.820 -0.003 0.000 2.015 749 A HA 0.119 4.439 4.320 -0.000 0.000 0.219 749 A C 1.871 179.448 177.584 -0.012 0.000 1.163 749 A CA 1.549 53.571 52.037 -0.025 0.000 0.646 749 A CB -0.972 17.995 19.000 -0.055 0.000 0.806 749 A HN 0.687 nan 8.150 nan 0.000 0.448 750 G N -1.203 107.601 108.800 0.006 0.000 2.141 750 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.242 750 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.242 750 G C 1.155 176.064 174.900 0.015 0.000 0.982 750 G CA 1.250 46.358 45.100 0.014 0.000 0.662 750 G HN 1.504 nan 8.290 nan 0.000 0.527 751 S N -1.430 114.276 115.700 0.009 0.000 2.428 751 S HA 0.393 4.863 4.470 -0.000 0.000 0.230 751 S C 0.929 175.546 174.600 0.029 0.000 1.014 751 S CA 1.622 59.829 58.200 0.013 0.000 0.957 751 S CB 0.483 63.680 63.200 -0.005 0.000 0.784 751 S HN 0.458 nan 8.310 nan 0.000 0.499 752 K N -0.271 120.153 120.400 0.040 0.000 2.639 752 K HA 0.485 4.805 4.320 -0.000 0.000 0.279 752 K C -0.280 176.353 176.600 0.056 0.000 0.976 752 K CA 0.348 56.664 56.287 0.048 0.000 0.861 752 K CB 1.120 33.654 32.500 0.057 0.000 1.436 752 K HN 0.603 nan 8.250 nan 0.000 0.400 753 G N 1.298 110.129 108.800 0.051 0.000 2.915 753 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 753 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 753 G C -0.251 174.691 174.900 0.070 0.000 1.414 753 G CA 0.224 45.358 45.100 0.056 0.000 1.053 753 G HN 1.043 nan 8.290 nan 0.000 0.598 754 S N 1.415 117.161 115.700 0.077 0.000 2.841 754 S HA 0.775 5.245 4.470 -0.000 0.000 0.318 754 S C 1.074 175.772 174.600 0.163 0.000 1.127 754 S CA 0.296 58.565 58.200 0.115 0.000 0.883 754 S CB 1.313 64.578 63.200 0.108 0.000 1.271 754 S HN 1.740 nan 8.310 nan 0.000 0.567 755 F N 1.726 121.696 119.950 0.033 0.000 2.021 755 F HA -0.155 4.372 4.527 -0.000 0.000 0.297 755 F C 2.034 177.858 175.800 0.039 0.000 1.152 755 F CA 1.731 59.752 58.000 0.034 0.000 1.201 755 F CB -0.907 38.111 39.000 0.030 0.000 0.951 755 F HN 0.470 nan 8.300 nan 0.000 0.504 756 I N 1.198 121.508 120.570 -0.435 0.000 2.147 756 I HA -0.448 3.722 4.170 -0.000 0.000 0.245 756 I C 2.241 178.195 176.117 -0.271 0.000 1.059 756 I CA 1.907 62.895 61.300 -0.520 0.000 1.320 756 I CB -1.711 36.159 38.000 -0.216 0.000 1.021 756 I HN 0.360 nan 8.210 nan 0.000 0.415 757 N N 1.032 119.673 118.700 -0.099 0.000 2.018 757 N HA -0.207 4.533 4.740 -0.000 0.000 0.196 757 N C 1.988 177.493 175.510 -0.009 0.000 1.043 757 N CA 1.642 54.682 53.050 -0.016 0.000 0.856 757 N CB -0.478 38.022 38.487 0.023 0.000 1.042 757 N HN 0.393 nan 8.380 nan 0.000 0.423 758 I N 1.535 122.108 120.570 0.004 0.000 2.118 758 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 758 I C 2.462 178.575 176.117 -0.006 0.000 1.070 758 I CA 1.325 62.648 61.300 0.039 0.000 1.327 758 I CB -0.510 37.559 38.000 0.114 0.000 1.034 758 I HN 0.094 nan 8.210 nan 0.000 0.405 759 A N 0.413 123.165 122.820 -0.114 0.000 1.849 759 A HA -0.338 3.982 4.320 -0.000 0.000 0.216 759 A C 2.218 179.735 177.584 -0.112 0.000 1.225 759 A CA 2.164 54.110 52.037 -0.150 0.000 0.653 759 A CB -1.134 17.623 19.000 -0.405 0.000 0.844 759 A HN 0.501 nan 8.150 nan 0.000 0.453 760 Q N -1.322 118.394 119.800 -0.139 0.000 2.290 760 Q HA -0.231 4.109 4.340 -0.000 0.000 0.211 760 Q C 2.188 178.162 176.000 -0.044 0.000 0.991 760 Q CA 1.899 57.620 55.803 -0.137 0.000 0.893 760 Q CB -0.312 28.397 28.738 -0.049 0.000 0.913 760 Q HN 0.750 nan 8.270 nan 0.000 0.428 761 M N -1.263 118.390 119.600 0.088 0.000 2.325 761 M HA -0.055 4.425 4.480 -0.000 0.000 0.265 761 M C 1.919 178.260 176.300 0.068 0.000 1.094 761 M CA 1.071 56.470 55.300 0.165 0.000 1.161 761 M CB 0.348 33.028 32.600 0.134 0.000 1.358 761 M HN 0.004 nan 8.290 nan 0.000 0.446 762 S N -0.172 115.546 115.700 0.030 0.000 2.483 762 S HA 0.274 4.744 4.470 -0.000 0.000 0.221 762 S C 1.552 176.153 174.600 0.002 0.000 1.030 762 S CA 0.462 58.675 58.200 0.022 0.000 0.925 762 S CB 0.306 63.527 63.200 0.035 0.000 0.795 762 S HN 0.433 nan 8.310 nan 0.000 0.511 763 A N 0.173 122.983 122.820 -0.017 0.000 2.283 763 A HA 0.546 4.866 4.320 -0.000 0.000 0.225 763 A C 0.671 178.217 177.584 -0.063 0.000 2.109 763 A CA 0.314 52.339 52.037 -0.020 0.000 0.889 763 A CB -0.406 18.598 19.000 0.006 0.000 1.437 763 A HN 0.508 nan 8.150 nan 0.000 0.595 764 C N -0.752 118.489 119.300 -0.099 0.000 2.535 764 C HA 0.596 5.056 4.460 -0.000 0.000 0.319 764 C C 1.638 176.468 174.990 -0.267 0.000 1.171 764 C CA -0.314 58.603 59.018 -0.168 0.000 1.394 764 C CB 0.662 28.349 27.740 -0.088 0.000 1.990 764 C HN 0.521 nan 8.230 nan 0.000 0.466 765 V N 4.904 124.569 119.914 -0.415 0.000 2.216 765 V HA 0.315 4.435 4.120 -0.000 0.000 0.243 765 V C 1.601 177.467 176.094 -0.381 0.000 1.044 765 V CA 2.446 64.436 62.300 -0.515 0.000 0.995 765 V CB -1.166 30.227 31.823 -0.716 0.000 0.633 765 V HN 1.636 nan 8.190 nan 0.000 0.446 766 G N -0.925 107.589 108.800 -0.477 0.000 2.340 766 G HA2 0.124 4.084 3.960 -0.000 0.000 0.527 766 G HA3 0.124 4.084 3.960 -0.000 0.000 0.527 766 G C -1.019 173.707 174.900 -0.290 0.000 1.381 766 G CA -0.196 44.707 45.100 -0.328 0.000 1.001 766 G HN 0.442 nan 8.290 nan 0.000 0.626 767 Q N 0.375 120.200 119.800 0.042 0.000 2.324 767 Q HA 0.519 4.859 4.340 -0.000 0.000 0.257 767 Q C 0.651 176.710 176.000 0.098 0.000 1.080 767 Q CA 0.017 55.942 55.803 0.202 0.000 0.907 767 Q CB 0.638 29.587 28.738 0.352 0.000 1.274 767 Q HN 0.542 nan 8.270 nan 0.000 0.434 768 Q N 1.662 121.520 119.800 0.097 0.000 2.479 768 Q HA 0.358 4.697 4.340 -0.000 0.000 0.267 768 Q C -0.714 175.308 176.000 0.037 0.000 1.071 768 Q CA 0.496 56.356 55.803 0.094 0.000 0.935 768 Q CB 0.909 29.740 28.738 0.155 0.000 1.295 768 Q HN 0.867 nan 8.270 nan 0.000 0.476 769 S N -1.251 114.455 115.700 0.010 0.000 2.588 769 S HA 0.853 5.323 4.470 -0.000 0.000 0.269 769 S C -1.415 173.160 174.600 -0.042 0.000 1.157 769 S CA -0.901 57.284 58.200 -0.026 0.000 0.824 769 S CB 1.208 64.398 63.200 -0.018 0.000 1.126 769 S HN 0.261 nan 8.310 nan 0.000 0.464 770 V N 1.072 120.952 119.914 -0.056 0.000 2.752 770 V HA 0.524 4.644 4.120 -0.000 0.000 0.302 770 V C -0.199 175.862 176.094 -0.055 0.000 1.133 770 V CA -0.738 61.527 62.300 -0.058 0.000 0.919 770 V CB 1.090 32.871 31.823 -0.069 0.000 1.026 770 V HN 1.154 nan 8.190 nan 0.000 0.429 771 E N 2.911 123.083 120.200 -0.046 0.000 2.660 771 E HA -0.340 4.010 4.350 -0.000 0.000 0.260 771 E C 1.310 177.884 176.600 -0.042 0.000 1.122 771 E CA 1.017 57.392 56.400 -0.041 0.000 0.755 771 E CB -1.129 28.546 29.700 -0.042 0.000 1.345 771 E HN 1.614 nan 8.360 nan 0.000 0.421 772 G N 0.194 108.969 108.800 -0.042 0.000 4.365 772 G HA2 -0.412 3.547 3.960 -0.000 0.000 0.214 772 G HA3 -0.412 3.547 3.960 -0.000 0.000 0.214 772 G C 0.103 174.970 174.900 -0.055 0.000 1.450 772 G CA 0.224 45.299 45.100 -0.042 0.000 0.937 772 G HN 0.258 nan 8.290 nan 0.000 0.625 773 K N 3.309 123.668 120.400 -0.067 0.000 2.491 773 K HA 0.279 4.599 4.320 -0.000 0.000 0.279 773 K C 1.191 177.725 176.600 -0.110 0.000 1.026 773 K CA 0.340 56.571 56.287 -0.092 0.000 1.070 773 K CB 0.277 32.718 32.500 -0.098 0.000 0.887 773 K HN 0.759 nan 8.250 nan 0.000 0.481 774 R N 2.369 122.795 120.500 -0.124 0.000 2.873 774 R HA -0.004 4.336 4.340 -0.000 0.000 0.267 774 R C 0.406 176.593 176.300 -0.189 0.000 1.009 774 R CA -0.661 55.361 56.100 -0.131 0.000 1.152 774 R CB -0.136 30.090 30.300 -0.123 0.000 1.047 774 R HN 0.440 nan 8.270 nan 0.000 0.470 775 I N 1.055 121.494 120.570 -0.219 0.000 3.163 775 I HA -0.221 3.949 4.170 -0.000 0.000 0.332 775 I C 1.143 177.096 176.117 -0.273 0.000 1.205 775 I CA 0.808 61.940 61.300 -0.281 0.000 1.473 775 I CB -1.074 36.595 38.000 -0.551 0.000 1.300 775 I HN 0.810 nan 8.210 nan 0.000 0.532 776 A N 7.740 130.438 122.820 -0.204 0.000 2.450 776 A HA 0.594 4.914 4.320 -0.000 0.000 0.281 776 A C -0.073 177.501 177.584 -0.016 0.000 1.372 776 A CA -0.489 51.413 52.037 -0.225 0.000 0.886 776 A CB 0.378 19.286 19.000 -0.153 0.000 1.462 776 A HN 0.592 nan 8.150 nan 0.000 0.514 777 F N 0.509 120.427 119.950 -0.052 0.000 2.395 777 F HA 0.288 4.815 4.527 -0.000 0.000 0.347 777 F C 1.630 177.441 175.800 0.018 0.000 1.157 777 F CA -0.320 57.681 58.000 0.003 0.000 1.272 777 F CB 0.598 39.608 39.000 0.016 0.000 1.607 777 F HN 0.738 nan 8.300 nan 0.000 0.571 778 G N 1.904 110.795 108.800 0.152 0.000 2.421 778 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.217 778 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.217 778 G C 0.397 175.344 174.900 0.078 0.000 1.143 778 G CA 0.021 45.137 45.100 0.027 0.000 0.784 778 G HN 0.373 nan 8.290 nan 0.000 0.541 779 F N 1.348 121.341 119.950 0.071 0.000 2.411 779 F HA 0.310 4.837 4.527 -0.000 0.000 0.355 779 F C 0.539 176.332 175.800 -0.012 0.000 1.117 779 F CA -1.246 56.767 58.000 0.021 0.000 1.139 779 F CB 1.731 40.730 39.000 -0.001 0.000 1.120 779 F HN -0.280 nan 8.300 nan 0.000 0.493 780 V N 5.696 125.726 119.914 0.194 0.000 2.899 780 V HA -0.271 3.849 4.120 -0.000 0.000 0.293 780 V C 0.427 176.480 176.094 -0.068 0.000 1.114 780 V CA 0.785 63.123 62.300 0.064 0.000 1.270 780 V CB -0.919 30.927 31.823 0.037 0.000 0.814 780 V HN 0.876 nan 8.190 nan 0.000 0.457 781 D N 3.464 123.768 120.400 -0.161 0.000 2.701 781 D HA -0.200 4.440 4.640 -0.000 0.000 0.235 781 D C 0.505 176.159 176.300 -1.077 0.000 1.155 781 D CA 1.632 55.295 54.000 -0.561 0.000 0.649 781 D CB -0.287 40.379 40.800 -0.222 0.000 1.050 781 D HN 1.007 nan 8.370 nan 0.000 0.425 782 R N -4.173 115.683 120.500 -1.075 0.000 2.829 782 R HA 0.380 4.720 4.340 -0.000 0.000 0.284 782 R C 0.201 176.613 176.300 0.187 0.000 1.006 782 R CA -0.871 54.924 56.100 -0.508 0.000 0.844 782 R CB 0.179 30.419 30.300 -0.100 0.000 1.309 782 R HN -0.205 nan 8.270 nan 0.000 0.494 783 T N 0.455 115.255 114.554 0.410 0.000 2.739 783 T HA 0.271 4.621 4.350 -0.000 0.000 0.246 783 T C 0.702 175.579 174.700 0.296 0.000 1.058 783 T CA 0.587 62.915 62.100 0.380 0.000 1.184 783 T CB -0.097 69.044 68.868 0.455 0.000 0.887 783 T HN 0.261 nan 8.240 nan 0.000 0.408 784 L N 1.464 122.745 121.223 0.097 0.000 2.313 784 L HA 0.379 4.719 4.340 -0.000 0.000 0.268 784 L C -1.645 175.223 176.870 -0.003 0.000 1.010 784 L CA -2.430 52.411 54.840 0.003 0.000 0.814 784 L CB 1.358 43.070 42.059 -0.579 0.000 1.304 784 L HN 0.007 nan 8.230 nan 0.000 0.441 785 P HA -0.114 nan 4.420 nan 0.000 0.239 785 P C 0.676 178.020 177.300 0.074 0.000 1.184 785 P CA 1.159 64.180 63.100 -0.132 0.000 0.760 785 P CB -0.094 31.455 31.700 -0.252 0.000 0.884 786 H N -1.589 117.333 119.070 -0.246 0.000 2.533 786 H HA 0.217 4.773 4.556 -0.000 0.000 0.271 786 H C 0.379 175.760 175.328 0.089 0.000 1.000 786 H CA -0.284 55.657 56.048 -0.177 0.000 1.149 786 H CB -0.205 29.382 29.762 -0.292 0.000 1.375 786 H HN 0.216 nan 8.280 nan 0.000 0.582 787 F N 0.356 120.396 119.950 0.150 0.000 2.563 787 F HA 0.288 4.815 4.527 -0.000 0.000 0.316 787 F C 0.246 176.070 175.800 0.040 0.000 1.076 787 F CA -1.441 56.621 58.000 0.103 0.000 0.921 787 F CB 1.938 41.016 39.000 0.130 0.000 1.209 787 F HN -0.139 nan 8.300 nan 0.000 0.462 788 S N 2.264 118.101 115.700 0.228 0.000 2.528 788 S HA 0.150 4.620 4.470 -0.000 0.000 0.277 788 S C -0.035 174.609 174.600 0.074 0.000 1.297 788 S CA -0.822 57.440 58.200 0.105 0.000 1.052 788 S CB 0.636 63.880 63.200 0.072 0.000 0.917 788 S HN 0.435 nan 8.310 nan 0.000 0.492 789 K N 1.719 122.127 120.400 0.013 0.000 2.443 789 K HA -0.100 4.220 4.320 -0.000 0.000 0.268 789 K C -0.121 176.468 176.600 -0.019 0.000 0.971 789 K CA 0.530 56.782 56.287 -0.057 0.000 0.902 789 K CB -0.084 32.377 32.500 -0.064 0.000 0.950 789 K HN 0.619 nan 8.250 nan 0.000 0.525 790 D N 0.639 121.000 120.400 -0.065 0.000 2.704 790 D HA -0.180 4.460 4.640 -0.000 0.000 0.232 790 D C -0.798 175.678 176.300 0.294 0.000 1.183 790 D CA 0.950 55.050 54.000 0.167 0.000 0.647 790 D CB -0.681 40.205 40.800 0.145 0.000 1.013 790 D HN 0.397 nan 8.370 nan 0.000 0.415 791 D N 0.020 120.581 120.400 0.269 0.000 2.477 791 D HA 0.102 4.742 4.640 -0.000 0.000 0.239 791 D C -0.012 176.515 176.300 0.378 0.000 1.102 791 D CA -0.610 53.547 54.000 0.262 0.000 0.901 791 D CB 0.208 41.056 40.800 0.080 0.000 1.026 791 D HN 0.148 nan 8.370 nan 0.000 0.515 792 Y N 1.285 121.729 120.300 0.241 0.000 2.529 792 Y HA -0.006 4.544 4.550 -0.000 0.000 0.290 792 Y C 1.684 177.682 175.900 0.165 0.000 1.177 792 Y CA -0.167 58.088 58.100 0.259 0.000 1.305 792 Y CB -0.362 38.307 38.460 0.348 0.000 1.047 792 Y HN 0.274 nan 8.280 nan 0.000 0.522 793 S N 1.517 117.350 115.700 0.222 0.000 2.563 793 S HA -0.033 4.436 4.470 -0.000 0.000 0.269 793 S C -1.270 173.371 174.600 0.069 0.000 1.364 793 S CA -0.809 57.460 58.200 0.114 0.000 1.010 793 S CB 0.837 64.058 63.200 0.035 0.000 0.877 793 S HN 0.128 nan 8.310 nan 0.000 0.549 794 P HA -0.021 nan 4.420 nan 0.000 0.220 794 P C 0.562 177.959 177.300 0.163 0.000 1.152 794 P CA 1.058 64.183 63.100 0.043 0.000 0.812 794 P CB -0.145 31.490 31.700 -0.109 0.000 0.792 795 E N -0.167 120.108 120.200 0.124 0.000 2.515 795 E HA -0.044 4.306 4.350 -0.000 0.000 0.201 795 E C 1.901 178.602 176.600 0.170 0.000 1.071 795 E CA 0.655 57.157 56.400 0.171 0.000 0.880 795 E CB -0.478 29.264 29.700 0.071 0.000 0.828 795 E HN 0.265 nan 8.360 nan 0.000 0.540 796 S N -0.642 115.133 115.700 0.126 0.000 2.830 796 S HA 0.069 4.539 4.470 -0.000 0.000 0.249 796 S C 1.401 176.181 174.600 0.300 0.000 1.084 796 S CA -0.282 58.058 58.200 0.234 0.000 0.852 796 S CB 0.240 63.348 63.200 -0.154 0.000 0.802 796 S HN -0.091 nan 8.310 nan 0.000 0.481 797 K N 1.605 122.062 120.400 0.094 0.000 2.555 797 K HA 0.216 4.536 4.320 -0.000 0.000 0.193 797 K C 0.815 177.314 176.600 -0.169 0.000 1.032 797 K CA 0.743 56.976 56.287 -0.089 0.000 1.004 797 K CB -0.147 32.285 32.500 -0.114 0.000 0.804 797 K HN 0.650 nan 8.250 nan 0.000 0.496 798 G N 1.797 110.583 108.800 -0.024 0.000 2.580 798 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.204 798 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.204 798 G C -0.778 174.318 174.900 0.326 0.000 1.107 798 G CA -0.610 44.557 45.100 0.112 0.000 0.881 798 G HN 0.219 nan 8.290 nan 0.000 0.497 799 F N 1.173 121.256 119.950 0.223 0.000 2.444 799 F HA 0.678 5.205 4.527 -0.000 0.000 0.342 799 F C -0.018 175.863 175.800 0.136 0.000 1.121 799 F CA -1.231 56.846 58.000 0.128 0.000 0.997 799 F CB 2.087 41.136 39.000 0.081 0.000 1.130 799 F HN 0.078 nan 8.300 nan 0.000 0.454 800 V N 7.426 127.010 119.914 -0.550 0.000 2.294 800 V HA 0.131 4.251 4.120 -0.000 0.000 0.272 800 V C 0.918 176.605 176.094 -0.679 0.000 1.027 800 V CA -0.221 61.821 62.300 -0.430 0.000 0.823 800 V CB 0.911 32.529 31.823 -0.340 0.000 1.030 800 V HN 0.963 nan 8.190 nan 0.000 0.457 801 E N 4.018 123.992 120.200 -0.376 0.000 2.152 801 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 801 E C 0.833 177.340 176.600 -0.156 0.000 0.983 801 E CA 0.491 56.779 56.400 -0.187 0.000 0.818 801 E CB 0.328 30.091 29.700 0.106 0.000 0.758 801 E HN 0.715 nan 8.360 nan 0.000 0.467 802 N N 1.047 119.654 118.700 -0.156 0.000 2.467 802 N HA 0.011 4.751 4.740 -0.000 0.000 0.262 802 N C -0.250 175.126 175.510 -0.224 0.000 1.234 802 N CA 0.298 53.266 53.050 -0.135 0.000 0.952 802 N CB 1.425 39.857 38.487 -0.093 0.000 1.158 802 N HN 0.075 nan 8.380 nan 0.000 0.463 803 S N -0.220 115.378 115.700 -0.171 0.000 2.687 803 S HA 0.275 4.745 4.470 -0.000 0.000 0.283 803 S C 0.988 175.486 174.600 -0.170 0.000 1.170 803 S CA -0.665 57.408 58.200 -0.211 0.000 1.008 803 S CB 0.491 63.633 63.200 -0.097 0.000 1.026 803 S HN 0.550 nan 8.310 nan 0.000 0.541 804 Y N -0.108 120.152 120.300 -0.066 0.000 2.384 804 Y HA -0.110 4.440 4.550 -0.000 0.000 0.289 804 Y C 2.140 178.024 175.900 -0.026 0.000 1.152 804 Y CA 0.732 58.804 58.100 -0.046 0.000 1.258 804 Y CB -0.143 38.294 38.460 -0.038 0.000 0.979 804 Y HN 0.589 nan 8.280 nan 0.000 0.549 805 L N 0.442 121.732 121.223 0.112 0.000 2.044 805 L HA -0.136 4.204 4.340 -0.000 0.000 0.205 805 L C 2.171 179.063 176.870 0.037 0.000 1.075 805 L CA 1.612 56.490 54.840 0.063 0.000 0.747 805 L CB -0.505 41.578 42.059 0.040 0.000 0.903 805 L HN -0.004 nan 8.230 nan 0.000 0.435 806 R N -0.036 120.474 120.500 0.016 0.000 2.062 806 R HA 0.263 4.603 4.340 -0.000 0.000 0.231 806 R C 0.428 176.732 176.300 0.006 0.000 1.136 806 R CA 0.789 56.891 56.100 0.002 0.000 0.948 806 R CB -0.546 29.745 30.300 -0.015 0.000 0.845 806 R HN 0.523 nan 8.270 nan 0.000 0.430 807 G N 0.329 109.134 108.800 0.009 0.000 3.055 807 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.685 807 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.685 807 G C -0.911 173.989 174.900 0.000 0.000 1.212 807 G CA -1.100 44.014 45.100 0.024 0.000 0.822 807 G HN -0.005 nan 8.290 nan 0.000 0.610 808 L N 1.188 122.428 121.223 0.028 0.000 2.472 808 L HA 0.608 4.948 4.340 -0.000 0.000 0.273 808 L C 1.806 178.685 176.870 0.015 0.000 1.254 808 L CA 0.990 55.847 54.840 0.028 0.000 0.823 808 L CB 0.530 42.672 42.059 0.140 0.000 1.096 808 L HN 1.098 nan 8.230 nan 0.000 0.521 809 T N -2.264 112.304 114.554 0.023 0.000 2.940 809 T HA 0.479 4.829 4.350 -0.000 0.000 0.288 809 T C -2.005 172.714 174.700 0.032 0.000 1.033 809 T CA -1.957 60.151 62.100 0.012 0.000 1.033 809 T CB 1.725 70.605 68.868 0.020 0.000 1.079 809 T HN 0.356 nan 8.240 nan 0.000 0.496 810 P HA -0.251 nan 4.420 nan 0.000 0.221 810 P C 1.481 178.783 177.300 0.003 0.000 1.160 810 P CA 1.687 64.819 63.100 0.053 0.000 0.933 810 P CB 0.001 31.724 31.700 0.039 0.000 0.793 811 Q N -0.500 119.205 119.800 -0.158 0.000 2.030 811 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 811 Q C 2.165 177.731 176.000 -0.723 0.000 0.986 811 Q CA 1.684 57.169 55.803 -0.530 0.000 0.843 811 Q CB -0.846 27.669 28.738 -0.371 0.000 0.904 811 Q HN 0.433 nan 8.270 nan 0.000 0.420 812 E N 0.043 120.072 120.200 -0.285 0.000 2.021 812 E HA -0.232 4.118 4.350 -0.000 0.000 0.200 812 E C 1.841 178.466 176.600 0.041 0.000 1.015 812 E CA 1.222 57.557 56.400 -0.108 0.000 0.824 812 E CB -0.430 29.264 29.700 -0.010 0.000 0.762 812 E HN 0.246 nan 8.360 nan 0.000 0.454 813 F N 1.206 121.135 119.950 -0.035 0.000 2.045 813 F HA -0.308 4.219 4.527 -0.000 0.000 0.297 813 F C 2.196 178.056 175.800 0.100 0.000 1.114 813 F CA 1.841 59.879 58.000 0.064 0.000 1.207 813 F CB -0.610 38.424 39.000 0.057 0.000 0.964 813 F HN -0.011 nan 8.300 nan 0.000 0.486 814 F N -0.407 119.528 119.950 -0.024 0.000 2.269 814 F HA -0.168 4.359 4.527 -0.000 0.000 0.301 814 F C 2.018 177.860 175.800 0.070 0.000 1.082 814 F CA 1.400 59.348 58.000 -0.087 0.000 1.360 814 F CB -0.484 38.483 39.000 -0.056 0.000 1.041 814 F HN 0.031 nan 8.300 nan 0.000 0.512 815 F N -1.481 118.581 119.950 0.188 0.000 2.074 815 F HA -0.196 4.331 4.527 -0.000 0.000 0.293 815 F C 2.599 178.401 175.800 0.003 0.000 1.116 815 F CA 0.858 58.925 58.000 0.111 0.000 1.212 815 F CB -0.950 38.141 39.000 0.151 0.000 0.998 815 F HN -0.036 nan 8.300 nan 0.000 0.471 816 H N 0.884 120.031 119.070 0.129 0.000 2.400 816 H HA -0.232 4.324 4.556 -0.000 0.000 0.295 816 H C 1.922 177.178 175.328 -0.120 0.000 1.118 816 H CA 1.377 57.425 56.048 0.001 0.000 1.256 816 H CB -0.506 29.256 29.762 0.000 0.000 1.365 816 H HN 0.240 nan 8.280 nan 0.000 0.502 817 A N 0.514 123.159 122.820 -0.291 0.000 1.827 817 A HA -0.250 4.070 4.320 -0.000 0.000 0.215 817 A C 2.597 179.956 177.584 -0.375 0.000 1.212 817 A CA 2.191 53.938 52.037 -0.483 0.000 0.624 817 A CB -1.095 17.489 19.000 -0.694 0.000 0.853 817 A HN 0.523 nan 8.150 nan 0.000 0.450 818 M N -0.471 118.903 119.600 -0.377 0.000 2.152 818 M HA -0.262 4.218 4.480 -0.000 0.000 0.251 818 M C 2.137 178.336 176.300 -0.168 0.000 1.080 818 M CA 1.924 57.073 55.300 -0.252 0.000 1.079 818 M CB -0.931 31.584 32.600 -0.142 0.000 1.317 818 M HN 0.575 nan 8.290 nan 0.000 0.404 819 G N -0.661 108.064 108.800 -0.126 0.000 2.408 819 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.217 819 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.217 819 G C 1.477 176.291 174.900 -0.143 0.000 1.150 819 G CA 0.893 45.937 45.100 -0.093 0.000 0.776 819 G HN 0.583 nan 8.290 nan 0.000 0.542 820 G N 1.020 109.668 108.800 -0.253 0.000 2.434 820 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.214 820 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.214 820 G C 1.809 176.592 174.900 -0.195 0.000 1.202 820 G CA 1.187 46.119 45.100 -0.279 0.000 0.788 820 G HN 0.490 nan 8.290 nan 0.000 0.539 821 R N 1.008 121.383 120.500 -0.210 0.000 2.198 821 R HA -0.185 4.155 4.340 -0.000 0.000 0.258 821 R C 2.162 178.390 176.300 -0.120 0.000 1.173 821 R CA 2.290 58.292 56.100 -0.164 0.000 0.991 821 R CB -0.739 29.452 30.300 -0.181 0.000 0.879 821 R HN 0.551 nan 8.270 nan 0.000 0.460 822 E N -1.006 119.127 120.200 -0.112 0.000 2.077 822 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 822 E C 1.765 178.323 176.600 -0.070 0.000 0.989 822 E CA 1.310 57.661 56.400 -0.082 0.000 0.800 822 E CB -0.429 29.228 29.700 -0.072 0.000 0.746 822 E HN 0.586 nan 8.360 nan 0.000 0.452 823 G N 1.649 110.404 108.800 -0.075 0.000 2.511 823 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 823 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 823 G C 1.604 176.468 174.900 -0.060 0.000 1.218 823 G CA 0.913 45.977 45.100 -0.061 0.000 0.788 823 G HN 0.234 nan 8.290 nan 0.000 0.560 824 L N 0.267 121.447 121.223 -0.072 0.000 2.085 824 L HA -0.242 4.098 4.340 -0.000 0.000 0.218 824 L C 2.873 179.710 176.870 -0.055 0.000 1.080 824 L CA 1.150 55.951 54.840 -0.065 0.000 0.776 824 L CB -0.512 41.500 42.059 -0.078 0.000 0.891 824 L HN 0.294 nan 8.230 nan 0.000 0.437 825 I N 0.325 120.861 120.570 -0.058 0.000 2.055 825 I HA -0.322 3.848 4.170 -0.000 0.000 0.228 825 I C 2.296 178.389 176.117 -0.039 0.000 1.050 825 I CA 1.764 63.035 61.300 -0.048 0.000 1.326 825 I CB -0.743 37.227 38.000 -0.050 0.000 1.077 825 I HN 0.401 nan 8.210 nan 0.000 0.392 826 D N 0.129 120.507 120.400 -0.038 0.000 2.239 826 D HA -0.225 4.415 4.640 -0.000 0.000 0.202 826 D C 1.820 178.103 176.300 -0.029 0.000 0.993 826 D CA 1.878 55.860 54.000 -0.030 0.000 0.874 826 D CB -1.109 39.673 40.800 -0.029 0.000 0.922 826 D HN 0.220 nan 8.370 nan 0.000 0.464 827 T N -0.461 114.073 114.554 -0.033 0.000 2.737 827 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 827 T C 1.673 176.357 174.700 -0.026 0.000 1.040 827 T CA 1.859 63.941 62.100 -0.030 0.000 1.142 827 T CB -0.465 68.382 68.868 -0.035 0.000 0.861 827 T HN 0.468 nan 8.240 nan 0.000 0.456 828 A N -0.080 122.723 122.820 -0.027 0.000 2.411 828 A HA 0.459 4.779 4.320 -0.000 0.000 0.251 828 A C 1.561 179.133 177.584 -0.020 0.000 1.317 828 A CA 0.001 52.025 52.037 -0.023 0.000 0.904 828 A CB 0.050 19.034 19.000 -0.026 0.000 0.993 828 A HN 0.365 nan 8.150 nan 0.000 0.504 829 V N -1.729 118.174 119.914 -0.018 0.000 3.177 829 V HA 0.071 4.190 4.120 -0.000 0.000 0.219 829 V C 1.706 177.795 176.094 -0.008 0.000 1.344 829 V CA 0.723 63.014 62.300 -0.014 0.000 1.324 829 V CB -0.197 31.616 31.823 -0.017 0.000 1.165 829 V HN 0.282 nan 8.190 nan 0.000 0.510 830 K N 0.565 120.958 120.400 -0.011 0.000 2.585 830 K HA -0.054 4.266 4.320 -0.000 0.000 0.194 830 K C 1.770 178.365 176.600 -0.009 0.000 1.037 830 K CA 1.294 57.576 56.287 -0.009 0.000 0.964 830 K CB -0.259 32.232 32.500 -0.015 0.000 0.787 830 K HN 0.460 nan 8.250 nan 0.000 0.488 831 T N -1.929 112.620 114.554 -0.008 0.000 3.018 831 T HA 0.254 4.604 4.350 -0.000 0.000 0.246 831 T C 1.496 176.198 174.700 0.003 0.000 1.026 831 T CA 0.595 62.690 62.100 -0.008 0.000 1.081 831 T CB 0.159 69.019 68.868 -0.013 0.000 0.970 831 T HN 0.189 nan 8.240 nan 0.000 0.475 832 A N 0.794 123.617 122.820 0.006 0.000 1.903 832 A HA 0.176 4.496 4.320 -0.000 0.000 0.213 832 A C 2.058 179.666 177.584 0.039 0.000 1.185 832 A CA 1.416 53.463 52.037 0.016 0.000 0.628 832 A CB -0.524 18.477 19.000 0.002 0.000 0.830 832 A HN 0.567 nan 8.150 nan 0.000 0.446 833 E N -0.663 119.557 120.200 0.033 0.000 2.051 833 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 833 E C 2.013 178.664 176.600 0.084 0.000 0.991 833 E CA 1.642 58.078 56.400 0.061 0.000 0.799 833 E CB -0.165 29.558 29.700 0.038 0.000 0.748 833 E HN 0.501 nan 8.360 nan 0.000 0.449 834 T N -0.257 114.322 114.554 0.042 0.000 2.624 834 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 834 T C 1.663 176.383 174.700 0.034 0.000 1.041 834 T CA 1.463 63.577 62.100 0.024 0.000 1.159 834 T CB -0.851 68.014 68.868 -0.006 0.000 0.863 834 T HN 0.473 nan 8.240 nan 0.000 0.434 835 G N -0.181 108.645 108.800 0.044 0.000 2.513 835 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.219 835 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.219 835 G C 1.354 176.311 174.900 0.095 0.000 1.160 835 G CA 1.302 46.432 45.100 0.051 0.000 0.767 835 G HN 0.539 nan 8.290 nan 0.000 0.571 836 Y N 1.365 121.669 120.300 0.007 0.000 2.089 836 Y HA -0.099 4.451 4.550 -0.000 0.000 0.282 836 Y C 2.760 178.674 175.900 0.024 0.000 1.139 836 Y CA 1.313 59.431 58.100 0.031 0.000 1.123 836 Y CB -0.508 37.978 38.460 0.043 0.000 0.980 836 Y HN 0.196 nan 8.280 nan 0.000 0.493 837 I N 0.119 120.704 120.570 0.026 0.000 2.113 837 I HA -0.442 3.728 4.170 -0.000 0.000 0.242 837 I C 2.670 178.713 176.117 -0.123 0.000 1.057 837 I CA 1.974 63.234 61.300 -0.066 0.000 1.314 837 I CB -0.617 37.386 38.000 0.005 0.000 1.022 837 I HN 0.378 nan 8.210 nan 0.000 0.408 838 Q N 1.081 120.830 119.800 -0.085 0.000 2.030 838 Q HA -0.270 4.070 4.340 -0.000 0.000 0.204 838 Q C 2.350 178.264 176.000 -0.143 0.000 0.986 838 Q CA 1.888 57.628 55.803 -0.105 0.000 0.843 838 Q CB -0.320 28.370 28.738 -0.080 0.000 0.904 838 Q HN 0.437 nan 8.270 nan 0.000 0.420 839 R N 0.012 120.427 120.500 -0.143 0.000 2.073 839 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 839 R C 2.405 178.528 176.300 -0.295 0.000 1.134 839 R CA 1.491 57.486 56.100 -0.175 0.000 0.952 839 R CB -0.046 30.190 30.300 -0.106 0.000 0.850 839 R HN 0.183 nan 8.270 nan 0.000 0.433 840 R N 0.544 120.810 120.500 -0.389 0.000 2.113 840 R HA -0.156 4.184 4.340 -0.000 0.000 0.231 840 R C 2.485 178.573 176.300 -0.354 0.000 1.129 840 R CA 2.078 57.917 56.100 -0.435 0.000 0.915 840 R CB -0.908 29.176 30.300 -0.360 0.000 0.837 840 R HN 0.199 nan 8.270 nan 0.000 0.430 841 L N 0.431 121.501 121.223 -0.256 0.000 2.082 841 L HA -0.364 3.976 4.340 -0.000 0.000 0.223 841 L C 2.395 179.097 176.870 -0.280 0.000 1.086 841 L CA 1.682 56.383 54.840 -0.231 0.000 0.793 841 L CB -0.873 41.087 42.059 -0.165 0.000 0.896 841 L HN 0.145 nan 8.230 nan 0.000 0.441 842 V N -0.593 119.165 119.914 -0.260 0.000 2.214 842 V HA -0.291 3.829 4.120 -0.000 0.000 0.244 842 V C 2.480 178.389 176.094 -0.308 0.000 1.045 842 V CA 1.769 63.923 62.300 -0.243 0.000 0.993 842 V CB -0.571 31.134 31.823 -0.197 0.000 0.633 842 V HN 0.379 nan 8.190 nan 0.000 0.449 843 K N 0.184 120.371 120.400 -0.354 0.000 2.242 843 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 843 K C 1.998 178.292 176.600 -0.511 0.000 1.045 843 K CA 1.699 57.760 56.287 -0.378 0.000 0.930 843 K CB -0.797 31.393 32.500 -0.517 0.000 0.726 843 K HN 0.559 nan 8.250 nan 0.000 0.462 844 A N 0.075 122.417 122.820 -0.796 0.000 2.169 844 A HA 0.043 4.363 4.320 -0.000 0.000 0.212 844 A C 1.523 178.734 177.584 -0.622 0.000 1.153 844 A CA 0.545 51.829 52.037 -1.254 0.000 0.756 844 A CB 0.006 18.121 19.000 -1.476 0.000 0.813 844 A HN 0.255 nan 8.150 nan 0.000 0.471 845 L N -1.901 119.090 121.223 -0.388 0.000 3.429 845 L HA 0.228 4.568 4.340 -0.000 0.000 0.311 845 L C 1.070 177.831 176.870 -0.182 0.000 1.274 845 L CA -0.198 54.497 54.840 -0.241 0.000 1.037 845 L CB -0.281 41.665 42.059 -0.189 0.000 1.433 845 L HN 0.200 nan 8.230 nan 0.000 0.614 846 E N 2.050 122.140 120.200 -0.184 0.000 2.028 846 E HA -0.293 4.057 4.350 -0.000 0.000 0.217 846 E C 1.187 177.718 176.600 -0.115 0.000 1.039 846 E CA 2.187 58.505 56.400 -0.137 0.000 0.882 846 E CB -0.262 29.370 29.700 -0.113 0.000 0.794 846 E HN 0.610 nan 8.360 nan 0.000 0.488 847 D N 0.971 121.314 120.400 -0.094 0.000 2.424 847 D HA -0.181 4.459 4.640 -0.000 0.000 0.221 847 D C 0.422 176.678 176.300 -0.073 0.000 0.978 847 D CA 0.832 54.792 54.000 -0.068 0.000 0.971 847 D CB -0.660 40.117 40.800 -0.038 0.000 0.869 847 D HN 0.198 nan 8.370 nan 0.000 0.506 848 I N 0.953 121.463 120.570 -0.100 0.000 2.312 848 I HA 0.236 4.406 4.170 -0.000 0.000 0.291 848 I C 0.490 176.506 176.117 -0.168 0.000 1.031 848 I CA -0.502 60.734 61.300 -0.108 0.000 1.293 848 I CB 0.581 38.524 38.000 -0.095 0.000 1.403 848 I HN 0.051 nan 8.210 nan 0.000 0.484 849 M N 5.476 124.930 119.600 -0.245 0.000 2.618 849 M HA 0.601 5.081 4.480 -0.000 0.000 0.281 849 M C -1.678 174.344 176.300 -0.462 0.000 1.267 849 M CA -0.858 54.230 55.300 -0.353 0.000 0.845 849 M CB 2.308 34.686 32.600 -0.371 0.000 1.732 849 M HN 0.070 nan 8.290 nan 0.000 0.461 850 V N 3.253 122.921 119.914 -0.411 0.000 2.455 850 V HA 0.284 4.404 4.120 -0.000 0.000 0.273 850 V C 0.062 175.925 176.094 -0.385 0.000 1.045 850 V CA -0.230 61.881 62.300 -0.314 0.000 0.976 850 V CB 0.103 31.787 31.823 -0.233 0.000 0.993 850 V HN 0.716 nan 8.190 nan 0.000 0.475 851 H N 3.746 122.764 119.070 -0.087 0.000 2.508 851 H HA 0.191 4.747 4.556 -0.000 0.000 0.358 851 H C 0.647 175.957 175.328 -0.030 0.000 1.212 851 H CA -0.284 55.711 56.048 -0.089 0.000 1.356 851 H CB 0.913 30.665 29.762 -0.017 0.000 1.525 851 H HN 0.624 nan 8.280 nan 0.000 0.578 852 Y N 0.546 120.951 120.300 0.174 0.000 2.538 852 Y HA -0.251 4.299 4.550 -0.000 0.000 0.287 852 Y C 1.787 177.736 175.900 0.081 0.000 1.157 852 Y CA 1.027 59.188 58.100 0.102 0.000 1.338 852 Y CB 0.117 38.632 38.460 0.092 0.000 0.970 852 Y HN 0.653 nan 8.280 nan 0.000 0.564 853 D N -2.104 118.445 120.400 0.248 0.000 2.348 853 D HA -0.113 4.527 4.640 -0.000 0.000 0.211 853 D C 0.469 176.858 176.300 0.149 0.000 0.998 853 D CA 0.535 54.637 54.000 0.170 0.000 0.873 853 D CB -0.208 40.678 40.800 0.144 0.000 0.925 853 D HN 0.103 nan 8.370 nan 0.000 0.524 854 N N -1.093 117.696 118.700 0.148 0.000 2.990 854 N HA -0.152 4.588 4.740 -0.000 0.000 0.247 854 N C -0.956 174.633 175.510 0.132 0.000 1.096 854 N CA 0.913 54.035 53.050 0.120 0.000 0.797 854 N CB -1.534 37.019 38.487 0.109 0.000 1.114 854 N HN 0.392 nan 8.380 nan 0.000 0.549 855 T N -0.197 114.441 114.554 0.140 0.000 2.945 855 T HA 0.507 4.857 4.350 -0.000 0.000 0.286 855 T C -0.173 174.581 174.700 0.091 0.000 1.025 855 T CA 0.140 62.319 62.100 0.132 0.000 1.039 855 T CB 1.213 70.166 68.868 0.142 0.000 1.068 855 T HN 0.052 nan 8.240 nan 0.000 0.497 856 T N 5.143 119.722 114.554 0.042 0.000 2.801 856 T HA 0.537 4.887 4.350 -0.000 0.000 0.306 856 T C -0.129 174.571 174.700 0.000 0.000 1.020 856 T CA -0.561 61.544 62.100 0.007 0.000 0.948 856 T CB 0.316 69.202 68.868 0.030 0.000 0.962 856 T HN 0.497 nan 8.240 nan 0.000 0.465 857 R N 2.249 122.793 120.500 0.073 0.000 2.922 857 R HA 0.584 4.924 4.340 -0.000 0.000 0.256 857 R C 0.120 176.476 176.300 0.093 0.000 1.138 857 R CA -1.138 55.018 56.100 0.093 0.000 0.995 857 R CB 1.552 31.949 30.300 0.162 0.000 1.226 857 R HN 0.712 nan 8.270 nan 0.000 0.481 858 N N -1.768 116.974 118.700 0.070 0.000 2.989 858 N HA 0.141 4.881 4.740 -0.000 0.000 0.338 858 N C 0.332 175.881 175.510 0.066 0.000 1.369 858 N CA -0.664 52.413 53.050 0.044 0.000 0.794 858 N CB 1.026 39.513 38.487 0.000 0.000 1.359 858 N HN 0.432 nan 8.380 nan 0.000 0.609 859 S N -0.400 115.320 115.700 0.034 0.000 2.469 859 S HA -0.054 4.416 4.470 -0.000 0.000 0.238 859 S C 1.684 176.294 174.600 0.017 0.000 0.998 859 S CA 0.646 58.864 58.200 0.030 0.000 0.957 859 S CB -0.603 62.608 63.200 0.019 0.000 0.764 859 S HN 0.461 nan 8.310 nan 0.000 0.514 860 L N 0.335 121.567 121.223 0.014 0.000 2.354 860 L HA 0.317 4.657 4.340 -0.000 0.000 0.212 860 L C 1.928 178.791 176.870 -0.012 0.000 1.091 860 L CA 0.569 55.412 54.840 0.006 0.000 0.828 860 L CB -0.506 41.562 42.059 0.014 0.000 0.973 860 L HN 0.562 nan 8.230 nan 0.000 0.461 861 G N 0.055 108.844 108.800 -0.018 0.000 2.148 861 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.203 861 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.203 861 G C -0.248 174.631 174.900 -0.034 0.000 0.993 861 G CA -0.425 44.642 45.100 -0.056 0.000 0.661 861 G HN 0.314 nan 8.290 nan 0.000 0.518 862 N N 1.061 119.749 118.700 -0.019 0.000 2.416 862 N HA 0.400 5.140 4.740 -0.000 0.000 0.265 862 N C 0.745 176.213 175.510 -0.070 0.000 1.195 862 N CA -0.026 53.005 53.050 -0.031 0.000 0.943 862 N CB 1.374 39.852 38.487 -0.015 0.000 1.115 862 N HN 0.248 nan 8.380 nan 0.000 0.481 863 V N 3.248 123.085 119.914 -0.128 0.000 2.720 863 V HA -0.061 4.059 4.120 -0.000 0.000 0.307 863 V C 1.586 177.517 176.094 -0.271 0.000 1.071 863 V CA 0.676 62.811 62.300 -0.275 0.000 1.199 863 V CB 0.081 31.547 31.823 -0.594 0.000 0.900 863 V HN 0.645 nan 8.190 nan 0.000 0.494 864 I N 1.984 122.416 120.570 -0.229 0.000 4.244 864 I HA 0.213 4.382 4.170 -0.000 0.000 0.318 864 I C 0.545 176.565 176.117 -0.163 0.000 1.282 864 I CA 0.345 61.555 61.300 -0.150 0.000 1.276 864 I CB 0.427 38.381 38.000 -0.076 0.000 1.183 864 I HN 0.613 nan 8.210 nan 0.000 0.431 865 Q N -0.363 119.315 119.800 -0.203 0.000 2.295 865 Q HA 0.321 4.661 4.340 -0.000 0.000 0.268 865 Q C -0.586 175.324 176.000 -0.149 0.000 1.010 865 Q CA -0.437 55.299 55.803 -0.112 0.000 0.856 865 Q CB 2.420 31.175 28.738 0.029 0.000 1.349 865 Q HN 0.018 nan 8.270 nan 0.000 0.412 866 F N 0.738 120.724 119.950 0.060 0.000 2.456 866 F HA 0.088 4.615 4.527 -0.000 0.000 0.298 866 F C 0.618 176.459 175.800 0.069 0.000 1.104 866 F CA 0.760 58.796 58.000 0.059 0.000 1.435 866 F CB 0.613 39.640 39.000 0.044 0.000 1.078 866 F HN 0.360 nan 8.300 nan 0.000 0.546 867 I N -1.277 119.427 120.570 0.225 0.000 2.534 867 I HA 0.095 4.265 4.170 -0.000 0.000 0.286 867 I C -0.871 175.340 176.117 0.157 0.000 1.094 867 I CA -1.248 60.154 61.300 0.169 0.000 1.055 867 I CB 0.794 38.874 38.000 0.132 0.000 1.225 867 I HN -0.160 nan 8.210 nan 0.000 0.435 868 Y N 6.955 127.275 120.300 0.032 0.000 2.954 868 Y HA 0.209 4.759 4.550 -0.000 0.000 0.351 868 Y C 1.480 177.394 175.900 0.024 0.000 1.282 868 Y CA 1.216 59.322 58.100 0.010 0.000 1.614 868 Y CB -0.046 38.408 38.460 -0.010 0.000 1.183 868 Y HN 0.931 nan 8.280 nan 0.000 0.566 869 G N 4.423 113.035 108.800 -0.313 0.000 2.187 869 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.261 869 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.261 869 G C 0.374 175.231 174.900 -0.071 0.000 1.000 869 G CA 0.580 45.488 45.100 -0.320 0.000 0.718 869 G HN 0.981 nan 8.290 nan 0.000 0.519 870 E N -1.385 118.811 120.200 -0.005 0.000 2.868 870 E HA -0.235 4.115 4.350 -0.000 0.000 0.278 870 E C 0.812 177.409 176.600 -0.006 0.000 1.009 870 E CA 1.196 57.613 56.400 0.029 0.000 0.856 870 E CB -0.874 28.852 29.700 0.043 0.000 1.428 870 E HN 0.961 nan 8.360 nan 0.000 0.423 871 D N -2.516 117.869 120.400 -0.024 0.000 2.559 871 D HA 0.024 4.664 4.640 -0.000 0.000 0.431 871 D C 0.986 177.273 176.300 -0.022 0.000 1.221 871 D CA 0.543 54.530 54.000 -0.021 0.000 1.007 871 D CB -0.698 40.071 40.800 -0.053 0.000 1.539 871 D HN 0.401 nan 8.370 nan 0.000 0.407 872 G N 1.381 110.180 108.800 -0.002 0.000 2.269 872 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.277 872 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.277 872 G C 0.031 174.935 174.900 0.007 0.000 1.008 872 G CA 1.049 46.184 45.100 0.058 0.000 0.774 872 G HN 0.397 nan 8.290 nan 0.000 0.511 873 M N 0.619 120.181 119.600 -0.063 0.000 2.264 873 M HA 0.459 4.939 4.480 -0.000 0.000 0.352 873 M C -0.066 176.253 176.300 0.032 0.000 1.173 873 M CA -1.859 53.379 55.300 -0.104 0.000 1.075 873 M CB 1.438 33.931 32.600 -0.178 0.000 1.621 873 M HN 0.138 nan 8.290 nan 0.000 0.457 874 D N 2.925 123.371 120.400 0.077 0.000 2.338 874 D HA 0.334 4.974 4.640 -0.000 0.000 0.255 874 D C 0.976 177.391 176.300 0.192 0.000 1.237 874 D CA 0.343 54.471 54.000 0.214 0.000 0.883 874 D CB 0.890 41.834 40.800 0.240 0.000 1.087 874 D HN 0.722 nan 8.370 nan 0.000 0.485 875 A N 4.565 127.480 122.820 0.159 0.000 2.016 875 A HA -0.305 4.015 4.320 -0.000 0.000 0.225 875 A C 2.185 179.822 177.584 0.088 0.000 1.230 875 A CA 2.652 54.739 52.037 0.084 0.000 0.678 875 A CB -0.955 18.089 19.000 0.073 0.000 0.826 875 A HN 0.742 nan 8.150 nan 0.000 0.484 876 A N -1.254 121.626 122.820 0.100 0.000 1.940 876 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 876 A C 1.411 178.937 177.584 -0.097 0.000 1.176 876 A CA 1.274 53.301 52.037 -0.016 0.000 0.631 876 A CB -0.759 18.190 19.000 -0.086 0.000 0.814 876 A HN 0.742 nan 8.150 nan 0.000 0.446 877 H N -0.406 118.675 119.070 0.019 0.000 2.680 877 H HA 0.486 5.042 4.556 -0.000 0.000 0.224 877 H C -0.828 174.491 175.328 -0.014 0.000 1.866 877 H CA 0.058 56.102 56.048 -0.006 0.000 1.302 877 H CB -0.476 29.250 29.762 -0.060 0.000 1.709 877 H HN 0.337 nan 8.280 nan 0.000 0.537 878 I N 1.165 121.798 120.570 0.105 0.000 2.827 878 I HA 0.273 4.443 4.170 -0.000 0.000 0.298 878 I C -0.626 175.580 176.117 0.147 0.000 1.235 878 I CA -0.780 60.580 61.300 0.099 0.000 1.021 878 I CB 2.967 41.023 38.000 0.094 0.000 1.259 878 I HN 0.242 nan 8.210 nan 0.000 0.427 879 E N 3.424 123.698 120.200 0.124 0.000 2.390 879 E HA 0.370 4.720 4.350 -0.000 0.000 0.277 879 E C -1.503 175.166 176.600 0.115 0.000 0.939 879 E CA -1.184 55.302 56.400 0.142 0.000 0.769 879 E CB 2.694 32.421 29.700 0.044 0.000 1.251 879 E HN 0.368 nan 8.360 nan 0.000 0.450 880 K N 2.366 122.829 120.400 0.105 0.000 2.363 880 K HA 0.089 4.409 4.320 -0.000 0.000 0.289 880 K C -0.178 176.440 176.600 0.031 0.000 1.063 880 K CA 0.291 56.605 56.287 0.045 0.000 0.967 880 K CB 0.432 32.927 32.500 -0.009 0.000 0.987 880 K HN 0.331 nan 8.250 nan 0.000 0.473 881 Q N 0.670 120.498 119.800 0.046 0.000 2.333 881 Q HA 0.363 4.702 4.340 -0.000 0.000 0.266 881 Q C -0.472 175.542 176.000 0.023 0.000 1.053 881 Q CA -0.938 54.894 55.803 0.048 0.000 0.890 881 Q CB 2.013 30.807 28.738 0.092 0.000 1.337 881 Q HN 0.620 nan 8.270 nan 0.000 0.474 882 S N -0.124 115.592 115.700 0.027 0.000 2.502 882 S HA 0.485 4.955 4.470 -0.000 0.000 0.304 882 S C -0.378 174.249 174.600 0.044 0.000 1.097 882 S CA -0.828 57.379 58.200 0.011 0.000 1.045 882 S CB 0.511 63.703 63.200 -0.012 0.000 1.019 882 S HN 0.502 nan 8.310 nan 0.000 0.481 883 L N 3.571 124.820 121.223 0.044 0.000 2.384 883 L HA 0.220 4.560 4.340 -0.000 0.000 0.258 883 L C 0.798 177.703 176.870 0.060 0.000 1.266 883 L CA -0.473 54.398 54.840 0.052 0.000 1.162 883 L CB -0.453 41.624 42.059 0.029 0.000 1.375 883 L HN 0.773 nan 8.230 nan 0.000 0.420 884 D N 0.609 121.063 120.400 0.089 0.000 2.191 884 D HA -0.202 4.438 4.640 -0.000 0.000 0.195 884 D C 1.699 178.073 176.300 0.123 0.000 1.003 884 D CA 1.752 55.825 54.000 0.121 0.000 0.867 884 D CB 0.141 41.054 40.800 0.189 0.000 0.926 884 D HN 0.479 nan 8.370 nan 0.000 0.450 885 T N 0.999 115.609 114.554 0.092 0.000 2.918 885 T HA -0.116 4.234 4.350 -0.000 0.000 0.271 885 T C 2.004 176.742 174.700 0.064 0.000 1.104 885 T CA 0.342 62.476 62.100 0.057 0.000 1.114 885 T CB 0.091 68.974 68.868 0.024 0.000 0.855 885 T HN 0.228 nan 8.240 nan 0.000 0.518 886 I N 0.180 120.784 120.570 0.056 0.000 2.315 886 I HA 0.125 4.295 4.170 -0.000 0.000 0.233 886 I C 2.026 178.187 176.117 0.072 0.000 1.067 886 I CA 0.406 61.736 61.300 0.049 0.000 1.376 886 I CB -0.840 37.177 38.000 0.029 0.000 1.143 886 I HN 0.267 nan 8.210 nan 0.000 0.421 887 G N -0.211 108.617 108.800 0.047 0.000 2.590 887 G HA2 0.365 4.325 3.960 -0.000 0.000 0.276 887 G HA3 0.365 4.325 3.960 -0.000 0.000 0.276 887 G C -0.008 174.968 174.900 0.126 0.000 1.337 887 G CA 0.450 45.596 45.100 0.077 0.000 1.030 887 G HN 0.778 nan 8.290 nan 0.000 0.534 888 G N -1.925 106.956 108.800 0.135 0.000 2.777 888 G HA2 0.295 4.255 3.960 -0.000 0.000 0.686 888 G HA3 0.295 4.255 3.960 -0.000 0.000 0.686 888 G C 0.092 175.067 174.900 0.125 0.000 1.177 888 G CA 0.215 45.395 45.100 0.133 0.000 0.775 888 G HN 1.983 nan 8.290 nan 0.000 0.613 889 S N 0.920 116.684 115.700 0.108 0.000 2.549 889 S HA 0.279 4.749 4.470 -0.000 0.000 0.286 889 S C 1.132 175.791 174.600 0.097 0.000 1.314 889 S CA 0.468 58.718 58.200 0.082 0.000 1.062 889 S CB 1.686 64.929 63.200 0.071 0.000 0.865 889 S HN 0.626 nan 8.310 nan 0.000 0.498 890 D N 2.460 122.890 120.400 0.050 0.000 2.203 890 D HA -0.185 4.455 4.640 -0.000 0.000 0.199 890 D C 2.027 178.411 176.300 0.140 0.000 0.997 890 D CA 1.686 55.715 54.000 0.048 0.000 0.863 890 D CB -0.312 40.488 40.800 0.000 0.000 0.928 890 D HN 0.778 nan 8.370 nan 0.000 0.458 891 A N 1.067 123.954 122.820 0.111 0.000 1.858 891 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 891 A C 2.383 180.049 177.584 0.138 0.000 1.190 891 A CA 2.224 54.328 52.037 0.113 0.000 0.617 891 A CB -0.774 18.271 19.000 0.076 0.000 0.827 891 A HN 0.248 nan 8.150 nan 0.000 0.443 892 A N -1.515 121.387 122.820 0.135 0.000 1.972 892 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 892 A C 2.017 179.717 177.584 0.194 0.000 1.169 892 A CA 1.541 53.657 52.037 0.133 0.000 0.635 892 A CB -0.726 18.343 19.000 0.115 0.000 0.810 892 A HN 0.665 nan 8.150 nan 0.000 0.446 893 F N 0.639 120.636 119.950 0.079 0.000 2.095 893 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 893 F C 2.188 178.098 175.800 0.183 0.000 1.104 893 F CA 2.259 60.307 58.000 0.082 0.000 1.232 893 F CB -0.177 38.812 39.000 -0.018 0.000 0.987 893 F HN 0.394 nan 8.300 nan 0.000 0.475 894 E N 0.331 120.733 120.200 0.336 0.000 2.017 894 E HA -0.301 4.049 4.350 -0.000 0.000 0.193 894 E C 2.187 178.835 176.600 0.081 0.000 0.997 894 E CA 1.325 57.883 56.400 0.264 0.000 0.804 894 E CB -0.303 29.524 29.700 0.213 0.000 0.757 894 E HN 0.312 nan 8.360 nan 0.000 0.448 895 K N 0.380 120.801 120.400 0.035 0.000 2.444 895 K HA -0.223 4.096 4.320 -0.000 0.000 0.200 895 K C 2.001 178.570 176.600 -0.052 0.000 1.045 895 K CA 1.162 57.425 56.287 -0.041 0.000 0.934 895 K CB 0.056 32.545 32.500 -0.017 0.000 0.756 895 K HN -0.029 nan 8.250 nan 0.000 0.477 896 R N -1.472 119.022 120.500 -0.010 0.000 2.167 896 R HA 0.030 4.370 4.340 -0.000 0.000 0.195 896 R C 1.112 177.292 176.300 -0.199 0.000 1.027 896 R CA 0.342 56.387 56.100 -0.092 0.000 1.114 896 R CB 0.175 30.468 30.300 -0.011 0.000 1.075 896 R HN 0.145 nan 8.270 nan 0.000 0.538 897 Y N 0.098 120.241 120.300 -0.262 0.000 2.458 897 Y HA 0.295 4.845 4.550 -0.000 0.000 0.254 897 Y C 0.416 176.340 175.900 0.040 0.000 1.120 897 Y CA -0.297 57.674 58.100 -0.214 0.000 1.282 897 Y CB 0.143 38.294 38.460 -0.515 0.000 1.109 897 Y HN -0.132 nan 8.280 nan 0.000 0.526 898 R N 1.202 121.850 120.500 0.246 0.000 2.389 898 R HA 0.459 4.798 4.340 -0.000 0.000 0.295 898 R C -1.472 174.804 176.300 -0.040 0.000 1.075 898 R CA -0.045 56.101 56.100 0.076 0.000 1.005 898 R CB 0.306 30.531 30.300 -0.124 0.000 0.987 898 R HN -0.088 nan 8.270 nan 0.000 0.452 899 V N 4.913 124.801 119.914 -0.044 0.000 2.569 899 V HA 0.296 4.416 4.120 -0.000 0.000 0.301 899 V C -1.129 174.942 176.094 -0.038 0.000 1.044 899 V CA -0.806 61.471 62.300 -0.038 0.000 0.874 899 V CB 1.914 33.725 31.823 -0.020 0.000 1.002 899 V HN 0.781 nan 8.190 nan 0.000 0.424 900 D N 4.324 124.719 120.400 -0.008 0.000 2.462 900 D HA 0.383 5.023 4.640 -0.000 0.000 0.245 900 D C 0.536 176.842 176.300 0.009 0.000 1.122 900 D CA -0.348 53.656 54.000 0.006 0.000 0.864 900 D CB 1.971 42.807 40.800 0.060 0.000 1.098 900 D HN 0.431 nan 8.370 nan 0.000 0.541 901 L N 3.123 124.342 121.223 -0.006 0.000 2.599 901 L HA 0.117 4.457 4.340 -0.000 0.000 0.230 901 L C 0.979 177.843 176.870 -0.010 0.000 1.141 901 L CA 0.494 55.329 54.840 -0.008 0.000 0.877 901 L CB 0.024 42.075 42.059 -0.012 0.000 1.009 901 L HN 0.325 nan 8.230 nan 0.000 0.447 902 L N -0.230 120.985 121.223 -0.012 0.000 3.047 902 L HA 0.361 4.700 4.340 -0.000 0.000 0.242 902 L C -0.404 176.449 176.870 -0.029 0.000 1.315 902 L CA -0.040 54.788 54.840 -0.020 0.000 1.042 902 L CB -0.379 41.666 42.059 -0.024 0.000 1.420 902 L HN 0.175 nan 8.230 nan 0.000 0.517 903 N N -1.022 117.666 118.700 -0.021 0.000 2.999 903 N HA 0.058 4.798 4.740 -0.000 0.000 0.244 903 N C 0.553 176.056 175.510 -0.012 0.000 1.106 903 N CA -0.113 52.914 53.050 -0.038 0.000 1.018 903 N CB 1.409 39.855 38.487 -0.068 0.000 1.600 903 N HN 0.004 nan 8.380 nan 0.000 0.621 904 T N 0.734 115.275 114.554 -0.022 0.000 2.778 904 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 904 T C 0.437 175.149 174.700 0.020 0.000 1.050 904 T CA 1.269 63.365 62.100 -0.005 0.000 1.137 904 T CB -0.094 68.766 68.868 -0.013 0.000 0.860 904 T HN 0.569 nan 8.240 nan 0.000 0.468 905 D N -0.538 119.884 120.400 0.036 0.000 2.398 905 D HA 0.063 4.703 4.640 -0.000 0.000 0.210 905 D C 0.619 177.132 176.300 0.353 0.000 1.094 905 D CA 0.330 54.410 54.000 0.133 0.000 0.839 905 D CB 0.242 41.108 40.800 0.110 0.000 0.963 905 D HN 0.393 nan 8.370 nan 0.000 0.506 906 H N -0.525 118.526 119.070 -0.031 0.000 2.662 906 H HA 0.287 4.843 4.556 -0.000 0.000 0.268 906 H C 0.044 175.346 175.328 -0.043 0.000 1.152 906 H CA -0.170 55.854 56.048 -0.039 0.000 1.072 906 H CB 0.542 30.276 29.762 -0.048 0.000 1.660 906 H HN -0.162 nan 8.280 nan 0.000 0.584 907 T N 0.739 115.334 114.554 0.068 0.000 2.936 907 T HA 0.436 4.786 4.350 -0.000 0.000 0.282 907 T C 0.304 175.000 174.700 -0.007 0.000 1.003 907 T CA -0.765 61.345 62.100 0.017 0.000 1.005 907 T CB 1.076 69.950 68.868 0.009 0.000 1.097 907 T HN 0.081 nan 8.240 nan 0.000 0.532 908 L N 2.395 123.605 121.223 -0.022 0.000 2.361 908 L HA 0.245 4.585 4.340 -0.000 0.000 0.278 908 L C 0.894 177.749 176.870 -0.025 0.000 1.113 908 L CA -0.557 54.263 54.840 -0.034 0.000 0.849 908 L CB 0.120 42.153 42.059 -0.043 0.000 1.155 908 L HN 0.601 nan 8.230 nan 0.000 0.452 909 D N 6.612 126.997 120.400 -0.025 0.000 2.458 909 D HA 0.009 4.649 4.640 -0.000 0.000 0.243 909 D C -1.446 174.843 176.300 -0.019 0.000 1.146 909 D CA -1.205 52.784 54.000 -0.018 0.000 0.877 909 D CB 1.555 42.345 40.800 -0.016 0.000 1.176 909 D HN 0.360 nan 8.370 nan 0.000 0.461 910 P HA -0.115 nan 4.420 nan 0.000 0.234 910 P C 0.896 178.188 177.300 -0.015 0.000 1.162 910 P CA 0.509 63.599 63.100 -0.016 0.000 0.759 910 P CB -0.043 31.649 31.700 -0.013 0.000 0.813 911 S N -1.760 113.932 115.700 -0.013 0.000 2.562 911 S HA 0.058 4.528 4.470 -0.000 0.000 0.221 911 S C 1.665 176.259 174.600 -0.010 0.000 0.975 911 S CA 0.070 58.265 58.200 -0.009 0.000 0.918 911 S CB -0.839 62.357 63.200 -0.006 0.000 0.772 911 S HN 0.123 nan 8.310 nan 0.000 0.531 912 L N -0.498 120.714 121.223 -0.018 0.000 2.379 912 L HA 0.470 4.810 4.340 -0.000 0.000 0.190 912 L C 0.762 177.615 176.870 -0.029 0.000 1.111 912 L CA -0.234 54.593 54.840 -0.023 0.000 0.820 912 L CB -0.617 41.421 42.059 -0.035 0.000 1.046 912 L HN 0.289 nan 8.230 nan 0.000 0.485 913 L N 0.600 121.802 121.223 -0.035 0.000 2.375 913 L HA 0.124 4.464 4.340 -0.000 0.000 0.271 913 L C 1.135 177.987 176.870 -0.030 0.000 1.107 913 L CA 0.444 55.260 54.840 -0.040 0.000 0.806 913 L CB 1.011 43.042 42.059 -0.047 0.000 1.146 913 L HN 0.161 nan 8.230 nan 0.000 0.447 914 E N 0.707 120.889 120.200 -0.031 0.000 2.047 914 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 914 E C 0.880 177.467 176.600 -0.022 0.000 0.987 914 E CA 1.204 57.590 56.400 -0.023 0.000 0.799 914 E CB 0.114 29.800 29.700 -0.023 0.000 0.752 914 E HN 0.809 nan 8.360 nan 0.000 0.449 915 S N -0.445 115.240 115.700 -0.026 0.000 2.815 915 S HA 0.222 4.692 4.470 -0.000 0.000 0.254 915 S C 1.205 175.791 174.600 -0.024 0.000 1.197 915 S CA -0.159 58.027 58.200 -0.024 0.000 1.216 915 S CB 0.533 63.718 63.200 -0.026 0.000 0.871 915 S HN 0.332 nan 8.310 nan 0.000 0.473 916 G N 3.091 111.878 108.800 -0.022 0.000 2.524 916 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.215 916 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.215 916 G C 1.718 176.608 174.900 -0.018 0.000 1.239 916 G CA 1.021 46.108 45.100 -0.022 0.000 0.798 916 G HN 0.780 nan 8.290 nan 0.000 0.557 917 S N 1.544 117.235 115.700 -0.015 0.000 2.383 917 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 917 S C 2.025 176.617 174.600 -0.013 0.000 1.030 917 S CA 1.840 60.033 58.200 -0.012 0.000 1.002 917 S CB -0.525 62.669 63.200 -0.010 0.000 0.829 917 S HN 0.751 nan 8.310 nan 0.000 0.467 918 E N 0.827 121.019 120.200 -0.013 0.000 2.526 918 E HA 0.112 4.462 4.350 -0.000 0.000 0.198 918 E C 1.500 178.091 176.600 -0.014 0.000 1.091 918 E CA 0.476 56.868 56.400 -0.013 0.000 0.880 918 E CB -0.346 29.346 29.700 -0.013 0.000 0.873 918 E HN 0.665 nan 8.360 nan 0.000 0.527 919 I N 0.236 120.797 120.570 -0.016 0.000 3.300 919 I HA 0.052 4.222 4.170 -0.000 0.000 0.279 919 I C 1.141 177.249 176.117 -0.015 0.000 1.172 919 I CA -0.421 60.869 61.300 -0.017 0.000 1.431 919 I CB 0.291 38.278 38.000 -0.021 0.000 1.240 919 I HN 0.195 nan 8.210 nan 0.000 0.453 920 L N 2.740 123.955 121.223 -0.014 0.000 2.822 920 L HA -0.172 4.168 4.340 -0.000 0.000 0.288 920 L C 1.117 177.980 176.870 -0.012 0.000 1.182 920 L CA 1.308 56.140 54.840 -0.012 0.000 0.936 920 L CB -0.077 41.976 42.059 -0.011 0.000 1.269 920 L HN 0.640 nan 8.230 nan 0.000 0.476 921 G N 2.622 111.414 108.800 -0.013 0.000 2.284 921 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.230 921 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.230 921 G C 0.313 175.206 174.900 -0.012 0.000 1.021 921 G CA 0.142 45.234 45.100 -0.013 0.000 0.619 921 G HN 0.743 nan 8.290 nan 0.000 0.510 922 D N 0.947 121.340 120.400 -0.012 0.000 2.658 922 D HA 0.107 4.747 4.640 -0.000 0.000 0.230 922 D C 1.678 177.972 176.300 -0.011 0.000 1.118 922 D CA 0.446 54.440 54.000 -0.011 0.000 0.848 922 D CB 0.430 41.222 40.800 -0.012 0.000 1.160 922 D HN 0.286 nan 8.370 nan 0.000 0.497 923 L N 3.954 125.172 121.223 -0.009 0.000 2.249 923 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 923 L C 2.395 179.262 176.870 -0.006 0.000 1.090 923 L CA 0.381 55.216 54.840 -0.008 0.000 0.802 923 L CB 0.016 42.070 42.059 -0.008 0.000 0.947 923 L HN 0.341 nan 8.230 nan 0.000 0.453 924 K N 0.045 120.441 120.400 -0.006 0.000 2.288 924 K HA -0.054 4.266 4.320 -0.000 0.000 0.201 924 K C 1.933 178.530 176.600 -0.005 0.000 1.048 924 K CA 0.873 57.157 56.287 -0.005 0.000 0.956 924 K CB 0.156 32.653 32.500 -0.006 0.000 0.746 924 K HN 0.300 nan 8.250 nan 0.000 0.461 925 L N 0.313 121.531 121.223 -0.007 0.000 2.168 925 L HA -0.054 4.286 4.340 -0.000 0.000 0.203 925 L C 2.148 179.015 176.870 -0.005 0.000 1.078 925 L CA 0.515 55.350 54.840 -0.008 0.000 0.780 925 L CB -0.277 41.774 42.059 -0.013 0.000 0.939 925 L HN 0.114 nan 8.230 nan 0.000 0.451 926 Q N 0.137 119.934 119.800 -0.005 0.000 2.561 926 Q HA -0.095 4.245 4.340 -0.000 0.000 0.217 926 Q C 1.966 177.968 176.000 0.003 0.000 0.980 926 Q CA 0.789 56.589 55.803 -0.004 0.000 0.927 926 Q CB -0.043 28.690 28.738 -0.008 0.000 0.980 926 Q HN 0.355 nan 8.270 nan 0.000 0.525 927 V N -0.483 119.434 119.914 0.004 0.000 2.575 927 V HA -0.117 4.003 4.120 -0.000 0.000 0.242 927 V C 2.141 178.245 176.094 0.016 0.000 1.045 927 V CA 0.703 63.009 62.300 0.010 0.000 1.065 927 V CB -0.163 31.663 31.823 0.006 0.000 0.717 927 V HN 0.263 nan 8.190 nan 0.000 0.467 928 L N -0.742 120.489 121.223 0.012 0.000 2.044 928 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 928 L C 2.430 179.317 176.870 0.028 0.000 1.075 928 L CA 1.038 55.888 54.840 0.016 0.000 0.747 928 L CB -0.512 41.551 42.059 0.006 0.000 0.903 928 L HN 0.280 nan 8.230 nan 0.000 0.435 929 L N -0.053 121.183 121.223 0.023 0.000 2.187 929 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 929 L C 2.003 178.911 176.870 0.064 0.000 1.100 929 L CA 1.797 56.658 54.840 0.034 0.000 0.765 929 L CB -0.925 41.141 42.059 0.012 0.000 0.904 929 L HN 0.350 nan 8.230 nan 0.000 0.437 930 D N -1.048 119.384 120.400 0.053 0.000 2.216 930 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 930 D C 1.986 178.350 176.300 0.107 0.000 0.960 930 D CA 0.381 54.426 54.000 0.075 0.000 0.861 930 D CB 0.344 41.168 40.800 0.039 0.000 0.985 930 D HN 0.348 nan 8.370 nan 0.000 0.493 931 E N 1.050 121.293 120.200 0.071 0.000 2.038 931 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 931 E C 1.892 178.539 176.600 0.079 0.000 1.000 931 E CA 1.024 57.461 56.400 0.062 0.000 0.803 931 E CB 0.061 29.783 29.700 0.037 0.000 0.750 931 E HN 0.342 nan 8.360 nan 0.000 0.448 932 E N 0.075 120.326 120.200 0.085 0.000 2.013 932 E HA -0.284 4.066 4.350 -0.000 0.000 0.202 932 E C 2.068 178.746 176.600 0.130 0.000 1.018 932 E CA 1.550 58.004 56.400 0.090 0.000 0.834 932 E CB -0.416 29.339 29.700 0.091 0.000 0.770 932 E HN 0.304 nan 8.360 nan 0.000 0.459 933 Y N 1.129 121.460 120.300 0.052 0.000 2.151 933 Y HA -0.232 4.318 4.550 -0.000 0.000 0.284 933 Y C 2.189 178.144 175.900 0.092 0.000 1.166 933 Y CA 2.210 60.358 58.100 0.080 0.000 1.163 933 Y CB 0.033 38.538 38.460 0.076 0.000 0.974 933 Y HN 0.019 nan 8.280 nan 0.000 0.511 934 K N -0.595 119.949 120.400 0.240 0.000 2.280 934 K HA -0.249 4.071 4.320 -0.000 0.000 0.202 934 K C 1.996 178.625 176.600 0.049 0.000 1.047 934 K CA 1.383 57.757 56.287 0.145 0.000 0.942 934 K CB -0.065 32.502 32.500 0.111 0.000 0.739 934 K HN 0.326 nan 8.250 nan 0.000 0.457 935 Q N 0.896 120.714 119.800 0.030 0.000 2.107 935 Q HA 0.024 4.364 4.340 -0.000 0.000 0.195 935 Q C 1.766 177.747 176.000 -0.033 0.000 0.964 935 Q CA 1.077 56.877 55.803 -0.005 0.000 0.833 935 Q CB -0.087 28.650 28.738 -0.001 0.000 0.910 935 Q HN 0.206 nan 8.270 nan 0.000 0.465 936 L N -0.124 121.071 121.223 -0.047 0.000 2.189 936 L HA -0.168 4.172 4.340 -0.000 0.000 0.214 936 L C 2.192 179.046 176.870 -0.028 0.000 1.097 936 L CA 0.753 55.564 54.840 -0.050 0.000 0.764 936 L CB -0.591 41.395 42.059 -0.121 0.000 0.900 936 L HN 0.120 nan 8.230 nan 0.000 0.436 937 V N -0.061 119.793 119.914 -0.100 0.000 2.407 937 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 937 V C 2.627 178.659 176.094 -0.103 0.000 1.041 937 V CA 1.571 63.774 62.300 -0.161 0.000 1.040 937 V CB -0.282 31.465 31.823 -0.126 0.000 0.671 937 V HN 0.430 nan 8.190 nan 0.000 0.455 938 K N -0.010 120.363 120.400 -0.045 0.000 2.063 938 K HA -0.251 4.069 4.320 -0.000 0.000 0.208 938 K C 1.737 178.344 176.600 0.012 0.000 1.048 938 K CA 2.135 58.415 56.287 -0.012 0.000 0.928 938 K CB -0.234 32.262 32.500 -0.007 0.000 0.713 938 K HN 0.439 nan 8.250 nan 0.000 0.442 939 D N 0.280 120.671 120.400 -0.014 0.000 2.120 939 D HA -0.205 4.435 4.640 -0.000 0.000 0.191 939 D C 1.942 178.276 176.300 0.058 0.000 0.994 939 D CA 1.585 55.591 54.000 0.010 0.000 0.838 939 D CB -0.188 40.600 40.800 -0.021 0.000 0.976 939 D HN 0.154 nan 8.370 nan 0.000 0.447 940 R N 0.576 121.051 120.500 -0.041 0.000 2.162 940 R HA -0.221 4.119 4.340 -0.000 0.000 0.245 940 R C 1.942 178.223 176.300 -0.031 0.000 1.129 940 R CA 1.976 58.018 56.100 -0.097 0.000 0.940 940 R CB -0.015 30.075 30.300 -0.352 0.000 0.875 940 R HN 0.023 nan 8.270 nan 0.000 0.437 941 K N -0.329 120.043 120.400 -0.046 0.000 2.152 941 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 941 K C 1.990 178.603 176.600 0.021 0.000 1.048 941 K CA 1.538 57.810 56.287 -0.024 0.000 0.933 941 K CB -0.641 31.840 32.500 -0.033 0.000 0.721 941 K HN 0.304 nan 8.250 nan 0.000 0.447 942 F N 1.826 121.743 119.950 -0.054 0.000 2.102 942 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 942 F C 1.931 177.712 175.800 -0.031 0.000 1.105 942 F CA 1.181 59.153 58.000 -0.047 0.000 1.239 942 F CB -0.105 38.868 39.000 -0.044 0.000 0.991 942 F HN -0.141 nan 8.300 nan 0.000 0.474 943 L N -0.006 121.353 121.223 0.228 0.000 2.027 943 L HA -0.152 4.188 4.340 -0.000 0.000 0.206 943 L C 2.444 179.362 176.870 0.079 0.000 1.074 943 L CA 1.269 56.236 54.840 0.212 0.000 0.745 943 L CB -0.858 41.364 42.059 0.270 0.000 0.898 943 L HN 0.006 nan 8.230 nan 0.000 0.433 944 R N 0.124 120.660 120.500 0.060 0.000 2.355 944 R HA -0.154 4.186 4.340 -0.000 0.000 0.219 944 R C 1.725 178.001 176.300 -0.040 0.000 1.107 944 R CA 0.798 56.938 56.100 0.067 0.000 1.021 944 R CB -0.099 30.247 30.300 0.078 0.000 0.852 944 R HN 0.484 nan 8.270 nan 0.000 0.475 945 E N -0.668 119.427 120.200 -0.176 0.000 2.415 945 E HA -0.006 4.344 4.350 -0.000 0.000 0.197 945 E C 1.348 177.720 176.600 -0.379 0.000 1.007 945 E CA 0.101 56.340 56.400 -0.268 0.000 0.890 945 E CB 0.670 30.165 29.700 -0.342 0.000 0.891 945 E HN 0.050 nan 8.360 nan 0.000 0.496 946 V N -0.060 119.566 119.914 -0.479 0.000 2.581 946 V HA 0.025 4.145 4.120 -0.000 0.000 0.240 946 V C 0.250 175.903 176.094 -0.735 0.000 1.054 946 V CA 0.814 62.690 62.300 -0.707 0.000 1.076 946 V CB 0.137 31.376 31.823 -0.974 0.000 0.748 946 V HN 0.101 nan 8.190 nan 0.000 0.474 947 F N 0.070 119.867 119.950 -0.254 0.000 2.344 947 F HA 0.395 4.922 4.527 -0.000 0.000 0.344 947 F C 1.111 176.881 175.800 -0.050 0.000 1.140 947 F CA -0.320 57.577 58.000 -0.171 0.000 1.256 947 F CB 0.286 39.193 39.000 -0.155 0.000 1.573 947 F HN -0.206 nan 8.300 nan 0.000 0.547 948 V N 0.342 120.288 119.914 0.054 0.000 2.568 948 V HA -0.293 3.827 4.120 -0.000 0.000 0.253 948 V C 1.954 178.144 176.094 0.160 0.000 1.072 948 V CA 1.825 64.176 62.300 0.086 0.000 1.084 948 V CB -0.299 31.531 31.823 0.013 0.000 0.676 948 V HN 0.621 nan 8.190 nan 0.000 0.469 949 D N 0.066 120.551 120.400 0.142 0.000 2.265 949 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 949 D C 1.991 178.275 176.300 -0.027 0.000 0.977 949 D CA 1.605 55.671 54.000 0.110 0.000 0.871 949 D CB 0.054 40.938 40.800 0.140 0.000 0.925 949 D HN 0.611 nan 8.370 nan 0.000 0.485 950 G N 1.045 109.763 108.800 -0.137 0.000 2.241 950 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.244 950 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.244 950 G C 0.358 175.065 174.900 -0.321 0.000 0.998 950 G CA 0.341 45.023 45.100 -0.697 0.000 0.621 950 G HN 0.353 nan 8.290 nan 0.000 0.519 951 E N 1.105 121.261 120.200 -0.074 0.000 2.493 951 E HA 0.537 4.887 4.350 -0.000 0.000 0.255 951 E C 1.174 177.801 176.600 0.046 0.000 0.999 951 E CA 1.009 57.375 56.400 -0.057 0.000 0.934 951 E CB 0.607 30.280 29.700 -0.045 0.000 0.940 951 E HN 0.824 nan 8.360 nan 0.000 0.473 952 A N 5.120 127.879 122.820 -0.102 0.000 2.348 952 A HA 0.122 4.442 4.320 -0.000 0.000 0.224 952 A C -0.018 177.500 177.584 -0.110 0.000 1.227 952 A CA -0.324 51.685 52.037 -0.047 0.000 0.885 952 A CB 0.100 19.066 19.000 -0.057 0.000 0.933 952 A HN 0.536 nan 8.150 nan 0.000 0.506 953 N N 0.278 118.731 118.700 -0.411 0.000 2.439 953 N HA 0.399 5.139 4.740 -0.000 0.000 0.249 953 N C -1.608 173.363 175.510 -0.898 0.000 1.003 953 N CA 0.176 52.957 53.050 -0.449 0.000 0.942 953 N CB 0.680 38.953 38.487 -0.357 0.000 1.115 953 N HN 0.431 nan 8.380 nan 0.000 0.505 954 W N 1.903 123.105 121.300 -0.164 0.000 3.031 954 W HA 0.418 5.078 4.660 -0.000 0.000 0.337 954 W C -2.124 174.379 176.519 -0.028 0.000 1.187 954 W CA -1.693 55.577 57.345 -0.125 0.000 1.166 954 W CB 0.999 30.331 29.460 -0.214 0.000 1.437 954 W HN 0.265 nan 8.180 nan 0.000 0.551 955 P HA 0.331 nan 4.420 nan 0.000 0.276 955 P C -1.015 176.397 177.300 0.188 0.000 1.243 955 P CA 0.379 63.600 63.100 0.202 0.000 0.768 955 P CB 1.265 33.111 31.700 0.243 0.000 0.856 956 L N 5.096 126.405 121.223 0.143 0.000 2.505 956 L HA 0.424 4.764 4.340 -0.000 0.000 0.259 956 L C -2.381 174.512 176.870 0.038 0.000 0.952 956 L CA -2.513 52.397 54.840 0.117 0.000 0.840 956 L CB 3.277 45.466 42.059 0.216 0.000 1.358 956 L HN 0.208 nan 8.230 nan 0.000 0.409 957 P HA 0.052 nan 4.420 nan 0.000 0.270 957 P C -0.462 176.741 177.300 -0.161 0.000 1.227 957 P CA 0.163 63.138 63.100 -0.208 0.000 0.788 957 P CB 0.993 32.410 31.700 -0.473 0.000 0.926 958 V N -0.417 119.446 119.914 -0.086 0.000 3.585 958 V HA -0.214 3.906 4.120 -0.000 0.000 0.489 958 V C 0.520 176.676 176.094 0.103 0.000 0.682 958 V CA 0.327 62.647 62.300 0.033 0.000 2.013 958 V CB -1.532 30.375 31.823 0.141 0.000 2.442 958 V HN 0.902 nan 8.190 nan 0.000 0.504 959 N N 5.199 123.927 118.700 0.046 0.000 2.402 959 N HA 0.297 5.037 4.740 -0.000 0.000 0.252 959 N C 0.847 176.379 175.510 0.036 0.000 1.118 959 N CA -0.031 53.041 53.050 0.037 0.000 0.945 959 N CB 0.918 39.395 38.487 -0.017 0.000 1.147 959 N HN 0.691 nan 8.380 nan 0.000 0.495 960 I N 2.932 123.539 120.570 0.063 0.000 2.333 960 I HA -0.163 4.007 4.170 -0.000 0.000 0.246 960 I C 2.486 178.587 176.117 -0.027 0.000 1.106 960 I CA 0.329 61.642 61.300 0.020 0.000 1.411 960 I CB -0.133 37.889 38.000 0.036 0.000 1.082 960 I HN 0.573 nan 8.210 nan 0.000 0.420 961 R N 1.600 122.097 120.500 -0.005 0.000 2.143 961 R HA -0.262 4.077 4.340 -0.000 0.000 0.239 961 R C 2.447 178.716 176.300 -0.051 0.000 1.126 961 R CA 2.155 58.243 56.100 -0.020 0.000 0.927 961 R CB -0.324 29.980 30.300 0.007 0.000 0.860 961 R HN 0.265 nan 8.270 nan 0.000 0.433 962 R N 0.161 120.640 120.500 -0.035 0.000 2.083 962 R HA -0.130 4.210 4.340 -0.000 0.000 0.237 962 R C 2.517 178.792 176.300 -0.041 0.000 1.137 962 R CA 1.678 57.753 56.100 -0.042 0.000 0.951 962 R CB -0.638 29.650 30.300 -0.020 0.000 0.851 962 R HN 0.417 nan 8.270 nan 0.000 0.434 963 I N 0.889 121.434 120.570 -0.041 0.000 2.381 963 I HA -0.318 3.852 4.170 -0.000 0.000 0.255 963 I C 1.947 178.058 176.117 -0.011 0.000 1.140 963 I CA 1.391 62.662 61.300 -0.048 0.000 1.404 963 I CB 0.084 38.027 38.000 -0.096 0.000 1.075 963 I HN 0.217 nan 8.210 nan 0.000 0.433 964 I N -0.367 120.154 120.570 -0.081 0.000 2.429 964 I HA -0.228 3.942 4.170 -0.000 0.000 0.247 964 I C 2.351 178.422 176.117 -0.076 0.000 1.099 964 I CA 0.645 61.869 61.300 -0.127 0.000 1.422 964 I CB -0.328 37.438 38.000 -0.389 0.000 1.112 964 I HN 0.206 nan 8.210 nan 0.000 0.430 965 Q N 0.761 120.485 119.800 -0.128 0.000 2.242 965 Q HA -0.267 4.073 4.340 -0.000 0.000 0.211 965 Q C 1.791 177.679 176.000 -0.187 0.000 0.992 965 Q CA 1.652 57.317 55.803 -0.230 0.000 0.889 965 Q CB -0.216 28.300 28.738 -0.371 0.000 0.913 965 Q HN 0.558 nan 8.270 nan 0.000 0.422 966 N N 0.014 118.709 118.700 -0.009 0.000 2.148 966 N HA -0.069 4.671 4.740 -0.000 0.000 0.186 966 N C 1.767 177.364 175.510 0.145 0.000 1.031 966 N CA 1.119 54.240 53.050 0.118 0.000 0.848 966 N CB -0.511 38.158 38.487 0.303 0.000 1.005 966 N HN 0.198 nan 8.380 nan 0.000 0.427 967 A N 2.468 125.490 122.820 0.336 0.000 1.954 967 A HA -0.268 4.052 4.320 -0.000 0.000 0.222 967 A C 2.041 179.680 177.584 0.093 0.000 1.199 967 A CA 1.509 53.688 52.037 0.237 0.000 0.657 967 A CB -0.618 18.538 19.000 0.260 0.000 0.823 967 A HN 0.314 nan 8.150 nan 0.000 0.463 968 Q N -0.585 119.239 119.800 0.040 0.000 1.336 968 Q HA -0.251 4.089 4.340 -0.000 0.000 0.641 968 Q C 2.009 178.020 176.000 0.018 0.000 0.951 968 Q CA 1.809 57.624 55.803 0.020 0.000 0.888 968 Q CB -0.908 27.838 28.738 0.013 0.000 0.929 968 Q HN 0.962 nan 8.270 nan 0.000 0.335 969 Q N 0.269 120.081 119.800 0.021 0.000 2.656 969 Q HA -0.072 4.268 4.340 -0.000 0.000 0.221 969 Q C 1.034 176.907 176.000 -0.212 0.000 0.974 969 Q CA 1.505 57.298 55.803 -0.016 0.000 0.959 969 Q CB -0.274 28.532 28.738 0.114 0.000 0.989 969 Q HN 0.215 nan 8.270 nan 0.000 0.579 970 T N -0.791 113.633 114.554 -0.215 0.000 3.040 970 T HA 0.154 4.504 4.350 -0.000 0.000 0.252 970 T C -0.163 174.115 174.700 -0.704 0.000 1.064 970 T CA 0.361 62.180 62.100 -0.469 0.000 1.110 970 T CB 0.080 68.598 68.868 -0.583 0.000 0.921 970 T HN 0.403 nan 8.240 nan 0.000 0.480 971 F N 0.948 120.648 119.950 -0.417 0.000 2.735 971 F HA 0.352 4.879 4.527 -0.000 0.000 0.304 971 F C 0.325 176.024 175.800 -0.168 0.000 1.119 971 F CA -1.052 56.768 58.000 -0.301 0.000 1.280 971 F CB -0.330 38.528 39.000 -0.237 0.000 0.994 971 F HN 0.121 nan 8.300 nan 0.000 0.520 972 H N 0.570 119.665 119.070 0.042 0.000 2.445 972 H HA -0.192 4.364 4.556 -0.000 0.000 0.322 972 H C 0.637 175.968 175.328 0.004 0.000 1.053 972 H CA 0.402 56.459 56.048 0.016 0.000 1.109 972 H CB -1.331 28.431 29.762 -0.001 0.000 1.546 972 H HN 0.326 nan 8.280 nan 0.000 0.397 973 I N 2.733 123.338 120.570 0.058 0.000 2.598 973 I HA -0.085 4.085 4.170 -0.000 0.000 0.284 973 I C 0.888 176.922 176.117 -0.138 0.000 1.140 973 I CA 0.297 61.574 61.300 -0.038 0.000 1.420 973 I CB 0.491 38.438 38.000 -0.089 0.000 1.387 973 I HN 0.229 nan 8.210 nan 0.000 0.553 974 D N 6.652 126.995 120.400 -0.096 0.000 2.317 974 D HA 0.052 4.692 4.640 -0.000 0.000 0.234 974 D C 0.639 176.881 176.300 -0.096 0.000 1.112 974 D CA -0.424 53.525 54.000 -0.085 0.000 0.840 974 D CB 0.774 41.571 40.800 -0.004 0.000 1.078 974 D HN 0.471 nan 8.370 nan 0.000 0.486 975 H N 1.664 120.759 119.070 0.042 0.000 2.566 975 H HA -0.045 4.511 4.556 -0.000 0.000 0.277 975 H C 1.394 176.733 175.328 0.019 0.000 1.046 975 H CA 1.067 57.133 56.048 0.031 0.000 1.172 975 H CB -0.170 29.612 29.762 0.033 0.000 1.319 975 H HN 0.661 nan 8.280 nan 0.000 0.621 976 T N -2.392 112.216 114.554 0.089 0.000 3.252 976 T HA 0.063 4.413 4.350 -0.000 0.000 0.233 976 T C 1.038 175.757 174.700 0.032 0.000 0.975 976 T CA -0.323 61.812 62.100 0.058 0.000 1.318 976 T CB 0.598 69.493 68.868 0.046 0.000 1.014 976 T HN 0.021 nan 8.240 nan 0.000 0.418 977 K N 3.059 123.471 120.400 0.019 0.000 2.276 977 K HA 0.304 4.624 4.320 -0.000 0.000 0.259 977 K C -2.335 174.267 176.600 0.004 0.000 1.001 977 K CA -1.585 54.707 56.287 0.009 0.000 0.927 977 K CB 0.130 32.633 32.500 0.005 0.000 0.969 977 K HN 0.378 nan 8.250 nan 0.000 0.490 978 P HA -0.011 nan 4.420 nan 0.000 0.277 978 P C -0.177 177.113 177.300 -0.017 0.000 1.240 978 P CA -0.245 62.849 63.100 -0.010 0.000 0.798 978 P CB 1.421 33.114 31.700 -0.012 0.000 0.979 979 S N 0.893 116.578 115.700 -0.025 0.000 2.647 979 S HA 0.046 4.516 4.470 -0.000 0.000 0.251 979 S C 0.458 175.036 174.600 -0.037 0.000 1.320 979 S CA 0.507 58.686 58.200 -0.035 0.000 0.968 979 S CB -0.286 62.884 63.200 -0.050 0.000 1.005 979 S HN 0.700 nan 8.310 nan 0.000 0.576 980 D N 0.213 120.585 120.400 -0.046 0.000 2.996 980 D HA 0.177 4.817 4.640 -0.000 0.000 0.343 980 D C -0.647 175.620 176.300 -0.057 0.000 1.574 980 D CA -0.216 53.759 54.000 -0.041 0.000 0.773 980 D CB -1.106 39.678 40.800 -0.027 0.000 1.241 980 D HN 0.356 nan 8.370 nan 0.000 0.469 981 L N 0.710 121.882 121.223 -0.084 0.000 2.309 981 L HA 0.459 4.799 4.340 -0.000 0.000 0.282 981 L C 0.544 177.351 176.870 -0.105 0.000 1.036 981 L CA -0.532 54.235 54.840 -0.122 0.000 0.806 981 L CB 1.779 43.713 42.059 -0.210 0.000 1.220 981 L HN -0.168 nan 8.230 nan 0.000 0.429 982 T N 1.996 116.493 114.554 -0.095 0.000 2.882 982 T HA 0.258 4.608 4.350 -0.000 0.000 0.287 982 T C 1.511 176.153 174.700 -0.097 0.000 1.014 982 T CA -0.376 61.680 62.100 -0.074 0.000 1.049 982 T CB 1.565 70.401 68.868 -0.052 0.000 1.001 982 T HN 0.444 nan 8.240 nan 0.000 0.525 983 I N 0.734 121.259 120.570 -0.076 0.000 2.546 983 I HA -0.090 4.080 4.170 -0.000 0.000 0.255 983 I C 2.522 178.597 176.117 -0.071 0.000 1.163 983 I CA 1.104 62.356 61.300 -0.080 0.000 1.457 983 I CB -0.117 37.850 38.000 -0.056 0.000 1.092 983 I HN 0.653 nan 8.210 nan 0.000 0.434 984 K N 0.474 120.842 120.400 -0.053 0.000 2.097 984 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 984 K C 1.598 178.173 176.600 -0.042 0.000 1.050 984 K CA 1.169 57.434 56.287 -0.036 0.000 0.938 984 K CB -0.027 32.459 32.500 -0.024 0.000 0.718 984 K HN 0.198 nan 8.250 nan 0.000 0.442 985 D N 1.120 121.480 120.400 -0.066 0.000 2.120 985 D HA -0.190 4.450 4.640 -0.000 0.000 0.191 985 D C 1.870 178.104 176.300 -0.110 0.000 0.994 985 D CA 1.200 55.155 54.000 -0.075 0.000 0.838 985 D CB -0.299 40.432 40.800 -0.116 0.000 0.976 985 D HN 0.089 nan 8.370 nan 0.000 0.447 986 I N 0.304 120.715 120.570 -0.265 0.000 2.032 986 I HA -0.305 3.865 4.170 -0.000 0.000 0.228 986 I C 2.581 178.663 176.117 -0.058 0.000 1.030 986 I CA 0.819 61.893 61.300 -0.378 0.000 1.318 986 I CB -0.611 37.144 38.000 -0.408 0.000 1.049 986 I HN -0.094 nan 8.210 nan 0.000 0.387 987 V N 1.043 120.930 119.914 -0.046 0.000 2.311 987 V HA -0.334 3.786 4.120 -0.000 0.000 0.256 987 V C 2.281 178.392 176.094 0.029 0.000 1.077 987 V CA 2.043 64.348 62.300 0.009 0.000 1.067 987 V CB -0.613 31.209 31.823 -0.002 0.000 0.659 987 V HN 0.391 nan 8.190 nan 0.000 0.451 988 L N -0.295 120.940 121.223 0.020 0.000 2.478 988 L HA 0.041 4.381 4.340 -0.000 0.000 0.223 988 L C 2.244 179.145 176.870 0.051 0.000 1.140 988 L CA 0.975 55.831 54.840 0.027 0.000 0.842 988 L CB -0.484 41.583 42.059 0.014 0.000 0.953 988 L HN 0.474 nan 8.230 nan 0.000 0.452 989 G N -1.454 107.409 108.800 0.105 0.000 2.608 989 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.210 989 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.210 989 G C 1.453 176.421 174.900 0.115 0.000 1.139 989 G CA 0.141 45.328 45.100 0.146 0.000 0.812 989 G HN 0.108 nan 8.290 nan 0.000 0.529 990 V N 0.584 120.589 119.914 0.151 0.000 2.515 990 V HA -0.061 4.059 4.120 -0.000 0.000 0.250 990 V C 2.626 178.725 176.094 0.008 0.000 1.058 990 V CA 1.968 64.317 62.300 0.082 0.000 1.064 990 V CB -0.127 31.766 31.823 0.117 0.000 0.675 990 V HN 0.327 nan 8.190 nan 0.000 0.461 991 K N -0.470 119.939 120.400 0.015 0.000 2.116 991 K HA -0.139 4.180 4.320 -0.000 0.000 0.203 991 K C 1.788 178.374 176.600 -0.023 0.000 1.052 991 K CA 1.129 57.409 56.287 -0.011 0.000 0.952 991 K CB -0.085 32.413 32.500 -0.003 0.000 0.729 991 K HN 0.337 nan 8.250 nan 0.000 0.446 992 D N 0.673 121.068 120.400 -0.009 0.000 2.371 992 D HA -0.101 4.539 4.640 -0.000 0.000 0.221 992 D C 1.607 177.881 176.300 -0.043 0.000 0.986 992 D CA 0.346 54.334 54.000 -0.019 0.000 0.899 992 D CB 0.341 41.140 40.800 -0.003 0.000 0.902 992 D HN 0.126 nan 8.370 nan 0.000 0.530 993 L N 0.931 122.120 121.223 -0.057 0.000 2.034 993 L HA -0.082 4.258 4.340 -0.000 0.000 0.203 993 L C 2.113 178.912 176.870 -0.117 0.000 1.074 993 L CA 1.588 56.372 54.840 -0.092 0.000 0.748 993 L CB -0.692 41.300 42.059 -0.113 0.000 0.905 993 L HN -0.128 nan 8.230 nan 0.000 0.439 994 Q N -0.346 119.383 119.800 -0.119 0.000 2.217 994 Q HA -0.246 4.094 4.340 -0.000 0.000 0.209 994 Q C 1.870 177.797 176.000 -0.121 0.000 0.988 994 Q CA 1.672 57.394 55.803 -0.135 0.000 0.878 994 Q CB -0.294 28.376 28.738 -0.114 0.000 0.909 994 Q HN 0.537 nan 8.270 nan 0.000 0.424 995 E N 0.317 120.462 120.200 -0.091 0.000 2.268 995 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 995 E C 1.115 177.666 176.600 -0.082 0.000 0.995 995 E CA 0.657 57.014 56.400 -0.073 0.000 0.836 995 E CB -0.035 29.634 29.700 -0.052 0.000 0.763 995 E HN 0.371 nan 8.360 nan 0.000 0.491 996 N N 0.098 118.735 118.700 -0.105 0.000 2.236 996 N HA 0.061 4.801 4.740 -0.000 0.000 0.196 996 N C 0.357 175.765 175.510 -0.170 0.000 1.114 996 N CA 0.030 53.017 53.050 -0.106 0.000 0.859 996 N CB 0.611 39.048 38.487 -0.084 0.000 0.982 996 N HN 0.141 nan 8.380 nan 0.000 0.493 997 L N 1.960 123.005 121.223 -0.296 0.000 2.672 997 L HA 0.223 4.563 4.340 -0.000 0.000 0.238 997 L C -0.414 176.249 176.870 -0.346 0.000 1.392 997 L CA -0.254 54.185 54.840 -0.669 0.000 1.238 997 L CB -0.784 40.663 42.059 -1.020 0.000 1.548 997 L HN -0.172 nan 8.230 nan 0.000 0.423 998 L N 0.366 121.545 121.223 -0.073 0.000 2.418 998 L HA 0.077 4.417 4.340 -0.000 0.000 0.274 998 L C 1.145 178.122 176.870 0.179 0.000 1.135 998 L CA 0.259 55.128 54.840 0.048 0.000 0.870 998 L CB 1.111 43.184 42.059 0.023 0.000 1.154 998 L HN 0.081 nan 8.230 nan 0.000 0.462 999 V N 3.475 123.491 119.914 0.170 0.000 2.521 999 V HA 0.154 4.274 4.120 -0.000 0.000 0.239 999 V C 0.711 176.857 176.094 0.086 0.000 1.053 999 V CA 0.529 62.921 62.300 0.153 0.000 1.073 999 V CB 0.111 32.026 31.823 0.153 0.000 0.746 999 V HN 0.471 nan 8.190 nan 0.000 0.476 1000 L N -0.723 120.544 121.223 0.073 0.000 2.332 1000 L HA 0.470 4.810 4.340 -0.000 0.000 0.269 1000 L C 1.078 177.973 176.870 0.040 0.000 1.016 1000 L CA -0.235 54.640 54.840 0.057 0.000 0.809 1000 L CB 1.896 43.989 42.059 0.057 0.000 1.280 1000 L HN -0.013 nan 8.230 nan 0.000 0.447 1001 R N 0.389 120.909 120.500 0.033 0.000 2.276 1001 R HA 0.206 4.546 4.340 -0.000 0.000 0.195 1001 R C 0.531 176.839 176.300 0.012 0.000 0.908 1001 R CA 0.247 56.358 56.100 0.018 0.000 1.083 1001 R CB 0.272 30.579 30.300 0.011 0.000 1.182 1001 R HN 0.834 nan 8.270 nan 0.000 0.608 1002 G N 2.131 110.941 108.800 0.017 0.000 2.956 1002 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.258 1002 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.258 1002 G C -0.242 174.661 174.900 0.004 0.000 0.437 1002 G CA 0.313 45.421 45.100 0.012 0.000 1.163 1002 G HN 0.128 nan 8.290 nan 0.000 0.231 1003 K N 1.267 121.668 120.400 0.002 0.000 3.141 1003 K HA 0.309 4.629 4.320 -0.000 0.000 0.248 1003 K C 0.472 177.070 176.600 -0.002 0.000 1.282 1003 K CA -0.088 56.198 56.287 -0.002 0.000 1.251 1003 K CB -0.332 32.166 32.500 -0.003 0.000 1.533 1003 K HN 0.898 nan 8.250 nan 0.000 0.409 1004 N N -2.828 115.870 118.700 -0.003 0.000 3.308 1004 N HA 0.067 4.807 4.740 -0.000 0.000 0.276 1004 N C 0.195 175.700 175.510 -0.008 0.000 1.533 1004 N CA -0.733 52.314 53.050 -0.005 0.000 0.878 1004 N CB 0.674 39.159 38.487 -0.004 0.000 1.566 1004 N HN -0.102 nan 8.380 nan 0.000 0.546 1005 E N 0.188 120.381 120.200 -0.011 0.000 2.021 1005 E HA 0.197 4.547 4.350 -0.000 0.000 0.189 1005 E C 1.395 177.983 176.600 -0.020 0.000 0.980 1005 E CA 1.348 57.739 56.400 -0.015 0.000 0.803 1005 E CB -0.280 29.410 29.700 -0.015 0.000 0.766 1005 E HN 0.588 nan 8.360 nan 0.000 0.449 1006 I N 0.854 121.410 120.570 -0.023 0.000 2.145 1006 I HA -0.321 3.849 4.170 -0.000 0.000 0.244 1006 I C 2.057 178.154 176.117 -0.033 0.000 1.075 1006 I CA 1.041 62.321 61.300 -0.035 0.000 1.332 1006 I CB -0.345 37.633 38.000 -0.038 0.000 1.033 1006 I HN 0.284 nan 8.210 nan 0.000 0.410 1007 I N 0.029 120.588 120.570 -0.018 0.000 2.110 1007 I HA -0.251 3.919 4.170 -0.000 0.000 0.236 1007 I C 2.441 178.555 176.117 -0.005 0.000 1.068 1007 I CA 1.409 62.706 61.300 -0.006 0.000 1.333 1007 I CB -1.401 36.603 38.000 0.007 0.000 1.054 1007 I HN 0.342 nan 8.210 nan 0.000 0.402 1008 Q N 0.647 120.444 119.800 -0.006 0.000 2.449 1008 Q HA -0.192 4.147 4.340 -0.000 0.000 0.214 1008 Q C 1.719 177.711 176.000 -0.012 0.000 0.986 1008 Q CA 0.850 56.649 55.803 -0.007 0.000 0.893 1008 Q CB -0.522 28.210 28.738 -0.010 0.000 0.940 1008 Q HN 0.495 nan 8.270 nan 0.000 0.477 1009 N N -0.464 118.226 118.700 -0.018 0.000 2.395 1009 N HA 0.015 4.755 4.740 -0.000 0.000 0.175 1009 N C 1.336 176.833 175.510 -0.022 0.000 1.029 1009 N CA 0.787 53.823 53.050 -0.023 0.000 0.897 1009 N CB 0.326 38.795 38.487 -0.030 0.000 0.991 1009 N HN 0.184 nan 8.380 nan 0.000 0.441 1010 A N 0.658 123.467 122.820 -0.019 0.000 1.930 1010 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 1010 A C 2.103 179.692 177.584 0.008 0.000 1.176 1010 A CA 1.181 53.211 52.037 -0.011 0.000 0.632 1010 A CB -0.553 18.442 19.000 -0.008 0.000 0.819 1010 A HN 0.263 nan 8.150 nan 0.000 0.445 1011 Q N 0.692 120.499 119.800 0.012 0.000 2.012 1011 Q HA -0.255 4.085 4.340 -0.000 0.000 0.211 1011 Q C 2.086 178.095 176.000 0.014 0.000 1.009 1011 Q CA 2.615 58.430 55.803 0.021 0.000 0.866 1011 Q CB -0.520 28.225 28.738 0.011 0.000 0.945 1011 Q HN 0.645 nan 8.270 nan 0.000 0.414 1012 R N 0.257 120.754 120.500 -0.006 0.000 2.113 1012 R HA -0.184 4.156 4.340 -0.000 0.000 0.244 1012 R C 2.099 178.389 176.300 -0.017 0.000 1.142 1012 R CA 1.563 57.651 56.100 -0.020 0.000 0.953 1012 R CB -0.626 29.654 30.300 -0.033 0.000 0.860 1012 R HN 0.522 nan 8.270 nan 0.000 0.438 1013 D N 0.919 121.313 120.400 -0.009 0.000 2.095 1013 D HA -0.160 4.480 4.640 -0.000 0.000 0.192 1013 D C 1.543 177.853 176.300 0.017 0.000 0.990 1013 D CA 1.642 55.640 54.000 -0.003 0.000 0.836 1013 D CB -0.356 40.444 40.800 -0.000 0.000 0.979 1013 D HN 0.251 nan 8.370 nan 0.000 0.447 1014 A N 0.319 123.160 122.820 0.035 0.000 2.265 1014 A HA 0.044 4.364 4.320 -0.000 0.000 0.203 1014 A C 1.675 179.319 177.584 0.099 0.000 1.285 1014 A CA 0.645 52.717 52.037 0.058 0.000 0.839 1014 A CB -0.263 18.777 19.000 0.066 0.000 0.758 1014 A HN 0.177 nan 8.150 nan 0.000 0.502 1015 V N -3.101 116.865 119.914 0.088 0.000 3.294 1015 V HA -0.075 4.045 4.120 -0.000 0.000 0.255 1015 V C 2.157 178.315 176.094 0.107 0.000 1.528 1015 V CA 1.055 63.444 62.300 0.149 0.000 1.086 1015 V CB -0.573 31.311 31.823 0.102 0.000 0.906 1015 V HN 0.462 nan 8.190 nan 0.000 0.433 1016 T N 2.072 116.628 114.554 0.004 0.000 2.522 1016 T HA -0.362 3.988 4.350 -0.000 0.000 0.253 1016 T C 1.832 176.485 174.700 -0.079 0.000 1.218 1016 T CA 2.675 64.713 62.100 -0.103 0.000 1.155 1016 T CB -0.526 68.226 68.868 -0.193 0.000 0.855 1016 T HN 0.258 nan 8.240 nan 0.000 0.435 1017 L N 0.623 121.854 121.223 0.014 0.000 1.971 1017 L HA -0.068 4.272 4.340 -0.000 0.000 0.215 1017 L C 2.123 179.073 176.870 0.133 0.000 1.072 1017 L CA 1.809 56.705 54.840 0.092 0.000 0.758 1017 L CB -1.456 40.697 42.059 0.157 0.000 0.889 1017 L HN 0.303 nan 8.230 nan 0.000 0.433 1018 F N 0.218 120.196 119.950 0.046 0.000 2.085 1018 F HA -0.343 4.184 4.527 -0.000 0.000 0.299 1018 F C 2.609 178.426 175.800 0.028 0.000 1.096 1018 F CA 1.958 60.001 58.000 0.072 0.000 1.227 1018 F CB -1.138 37.955 39.000 0.155 0.000 0.983 1018 F HN 0.285 nan 8.300 nan 0.000 0.482 1019 C N -0.258 118.934 119.300 -0.181 0.000 2.413 1019 C HA -0.235 4.224 4.460 -0.000 0.000 0.276 1019 C C 3.056 177.905 174.990 -0.235 0.000 1.248 1019 C CA 0.997 59.828 59.018 -0.312 0.000 1.742 1019 C CB -1.948 25.684 27.740 -0.180 0.000 2.017 1019 C HN 0.714 nan 8.230 nan 0.000 0.481 1020 C N 0.596 119.809 119.300 -0.144 0.000 2.401 1020 C HA -0.163 4.297 4.460 -0.000 0.000 0.276 1020 C C 2.565 177.516 174.990 -0.065 0.000 1.233 1020 C CA 1.356 60.320 59.018 -0.090 0.000 1.753 1020 C CB -1.671 26.043 27.740 -0.043 0.000 2.029 1020 C HN 0.690 nan 8.230 nan 0.000 0.478 1021 L N 0.465 121.641 121.223 -0.078 0.000 2.093 1021 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 1021 L C 2.205 178.995 176.870 -0.133 0.000 1.085 1021 L CA 1.578 56.387 54.840 -0.052 0.000 0.755 1021 L CB -0.861 41.203 42.059 0.008 0.000 0.904 1021 L HN 0.246 nan 8.230 nan 0.000 0.435 1022 L N 0.168 121.196 121.223 -0.326 0.000 1.976 1022 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 1022 L C 2.725 179.514 176.870 -0.135 0.000 1.071 1022 L CA 1.883 56.519 54.840 -0.340 0.000 0.746 1022 L CB -0.707 41.029 42.059 -0.538 0.000 0.890 1022 L HN 0.261 nan 8.230 nan 0.000 0.432 1023 R N -0.929 119.508 120.500 -0.105 0.000 2.127 1023 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 1023 R C 2.492 178.833 176.300 0.068 0.000 1.134 1023 R CA 1.269 57.359 56.100 -0.016 0.000 0.975 1023 R CB -0.721 29.564 30.300 -0.026 0.000 0.865 1023 R HN 0.544 nan 8.270 nan 0.000 0.447 1024 S N 0.583 116.326 115.700 0.072 0.000 2.399 1024 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 1024 S C 1.624 176.349 174.600 0.209 0.000 1.022 1024 S CA 0.963 59.280 58.200 0.195 0.000 0.983 1024 S CB 0.112 63.390 63.200 0.130 0.000 0.803 1024 S HN 0.212 nan 8.310 nan 0.000 0.480 1025 R N 0.142 120.715 120.500 0.120 0.000 2.334 1025 R HA 0.378 4.718 4.340 -0.000 0.000 0.212 1025 R C 0.260 176.677 176.300 0.196 0.000 0.897 1025 R CA 0.134 56.330 56.100 0.160 0.000 1.056 1025 R CB -0.204 30.174 30.300 0.130 0.000 1.046 1025 R HN 0.419 nan 8.270 nan 0.000 0.513 1026 L N 1.069 122.372 121.223 0.134 0.000 3.096 1026 L HA 0.465 4.805 4.340 -0.000 0.000 0.272 1026 L C -0.176 176.771 176.870 0.129 0.000 1.311 1026 L CA -0.537 54.415 54.840 0.187 0.000 0.943 1026 L CB 1.090 43.249 42.059 0.167 0.000 1.348 1026 L HN -0.116 nan 8.230 nan 0.000 0.562 1027 A N -0.533 122.320 122.820 0.056 0.000 2.290 1027 A HA 0.508 4.828 4.320 -0.000 0.000 0.310 1027 A C 1.335 178.884 177.584 -0.059 0.000 1.202 1027 A CA -0.208 51.835 52.037 0.009 0.000 0.837 1027 A CB 0.676 19.683 19.000 0.011 0.000 1.139 1027 A HN 0.387 nan 8.150 nan 0.000 0.509 1028 T N 2.072 116.599 114.554 -0.045 0.000 2.522 1028 T HA -0.297 4.052 4.350 -0.000 0.000 0.253 1028 T C 2.128 176.754 174.700 -0.123 0.000 1.218 1028 T CA 2.047 64.097 62.100 -0.083 0.000 1.155 1028 T CB -0.351 68.480 68.868 -0.061 0.000 0.855 1028 T HN 0.677 nan 8.240 nan 0.000 0.435 1029 R N 0.738 121.154 120.500 -0.140 0.000 2.133 1029 R HA -0.097 4.243 4.340 -0.000 0.000 0.245 1029 R C 2.663 178.807 176.300 -0.259 0.000 1.137 1029 R CA 1.884 57.872 56.100 -0.186 0.000 0.947 1029 R CB -0.623 29.554 30.300 -0.204 0.000 0.865 1029 R HN 0.428 nan 8.270 nan 0.000 0.437 1030 R N -0.388 119.899 120.500 -0.355 0.000 2.088 1030 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 1030 R C 2.290 178.321 176.300 -0.449 0.000 1.136 1030 R CA 1.880 57.689 56.100 -0.485 0.000 0.926 1030 R CB -0.572 29.420 30.300 -0.513 0.000 0.837 1030 R HN 0.048 nan 8.270 nan 0.000 0.429 1031 V N 1.002 120.814 119.914 -0.170 0.000 2.511 1031 V HA -0.280 3.840 4.120 -0.000 0.000 0.257 1031 V C 1.877 177.985 176.094 0.023 0.000 1.088 1031 V CA 1.753 64.111 62.300 0.097 0.000 1.098 1031 V CB -0.507 31.380 31.823 0.107 0.000 0.674 1031 V HN 0.292 nan 8.190 nan 0.000 0.470 1032 L N -1.781 119.386 121.223 -0.094 0.000 2.445 1032 L HA 0.119 4.459 4.340 -0.000 0.000 0.207 1032 L C 2.339 179.164 176.870 -0.076 0.000 1.053 1032 L CA 0.977 55.775 54.840 -0.071 0.000 0.841 1032 L CB -0.417 41.590 42.059 -0.086 0.000 1.074 1032 L HN 0.135 nan 8.230 nan 0.000 0.479 1033 Q N 0.083 119.802 119.800 -0.134 0.000 2.163 1033 Q HA -0.091 4.249 4.340 -0.000 0.000 0.198 1033 Q C 1.832 177.749 176.000 -0.139 0.000 0.954 1033 Q CA 1.066 56.797 55.803 -0.120 0.000 0.851 1033 Q CB 0.395 29.050 28.738 -0.138 0.000 0.928 1033 Q HN 0.475 nan 8.270 nan 0.000 0.459 1034 E N -0.435 119.601 120.200 -0.273 0.000 2.030 1034 E HA -0.088 4.262 4.350 -0.000 0.000 0.189 1034 E C -0.345 176.177 176.600 -0.130 0.000 0.974 1034 E CA 0.655 56.869 56.400 -0.310 0.000 0.807 1034 E CB 0.219 29.566 29.700 -0.589 0.000 0.771 1034 E HN 0.350 nan 8.360 nan 0.000 0.451 1035 Y N 0.070 120.389 120.300 0.032 0.000 2.919 1035 Y HA 0.407 4.956 4.550 -0.000 0.000 0.341 1035 Y C -0.368 175.557 175.900 0.042 0.000 1.045 1035 Y CA -1.083 57.059 58.100 0.070 0.000 1.218 1035 Y CB 0.202 38.694 38.460 0.052 0.000 1.137 1035 Y HN -0.292 nan 8.280 nan 0.000 0.577 1036 R N 3.174 123.782 120.500 0.180 0.000 3.971 1036 R HA -0.042 4.298 4.340 -0.000 0.000 0.168 1036 R C -0.232 176.094 176.300 0.043 0.000 1.468 1036 R CA 0.345 56.492 56.100 0.078 0.000 1.078 1036 R CB -0.755 29.567 30.300 0.037 0.000 1.156 1036 R HN 0.755 nan 8.270 nan 0.000 0.572 1037 L N 1.017 122.291 121.223 0.084 0.000 2.417 1037 L HA 0.109 4.449 4.340 -0.000 0.000 0.268 1037 L C 1.507 178.366 176.870 -0.018 0.000 1.158 1037 L CA 0.069 54.933 54.840 0.040 0.000 0.819 1037 L CB 0.925 43.068 42.059 0.141 0.000 1.112 1037 L HN 0.375 nan 8.230 nan 0.000 0.458 1038 T N -1.063 113.447 114.554 -0.073 0.000 2.897 1038 T HA 0.188 4.538 4.350 -0.000 0.000 0.278 1038 T C 0.847 175.515 174.700 -0.054 0.000 0.981 1038 T CA -0.681 61.373 62.100 -0.076 0.000 0.973 1038 T CB 1.631 70.437 68.868 -0.103 0.000 1.092 1038 T HN 0.610 nan 8.240 nan 0.000 0.543 1039 K N 0.110 120.487 120.400 -0.039 0.000 2.097 1039 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 1039 K C 2.397 179.008 176.600 0.019 0.000 1.049 1039 K CA 1.844 58.135 56.287 0.007 0.000 0.933 1039 K CB -0.451 32.051 32.500 0.002 0.000 0.717 1039 K HN 0.731 nan 8.250 nan 0.000 0.442 1040 Q N -0.236 119.525 119.800 -0.064 0.000 2.002 1040 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 1040 Q C 2.012 177.823 176.000 -0.316 0.000 0.988 1040 Q CA 2.038 57.767 55.803 -0.124 0.000 0.843 1040 Q CB -0.399 28.269 28.738 -0.117 0.000 0.908 1040 Q HN 0.450 nan 8.270 nan 0.000 0.420 1041 A N 0.298 122.754 122.820 -0.607 0.000 1.873 1041 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 1041 A C 1.915 179.447 177.584 -0.088 0.000 1.193 1041 A CA 1.671 53.311 52.037 -0.662 0.000 0.629 1041 A CB -1.222 17.470 19.000 -0.514 0.000 0.826 1041 A HN 0.612 nan 8.150 nan 0.000 0.447 1042 F N 1.120 120.993 119.950 -0.128 0.000 2.069 1042 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 1042 F C 2.015 177.818 175.800 0.005 0.000 1.113 1042 F CA 2.325 60.301 58.000 -0.040 0.000 1.214 1042 F CB -0.308 38.669 39.000 -0.038 0.000 0.978 1042 F HN 0.278 nan 8.300 nan 0.000 0.474 1043 D N -1.114 119.368 120.400 0.137 0.000 2.221 1043 D HA -0.248 4.392 4.640 -0.000 0.000 0.204 1043 D C 1.787 178.116 176.300 0.048 0.000 0.982 1043 D CA 1.320 55.357 54.000 0.062 0.000 0.857 1043 D CB -0.478 40.392 40.800 0.116 0.000 0.934 1043 D HN 0.505 nan 8.370 nan 0.000 0.475 1044 W N 1.202 122.432 121.300 -0.117 0.000 2.452 1044 W HA -0.130 4.530 4.660 -0.000 0.000 0.313 1044 W C 2.243 178.694 176.519 -0.114 0.000 1.176 1044 W CA 0.643 57.953 57.345 -0.059 0.000 1.350 1044 W CB -0.579 28.891 29.460 0.016 0.000 1.148 1044 W HN -0.300 nan 8.180 nan 0.000 0.498 1045 V N 1.744 121.673 119.914 0.024 0.000 2.317 1045 V HA -0.377 3.743 4.120 -0.000 0.000 0.251 1045 V C 2.324 178.215 176.094 -0.338 0.000 1.065 1045 V CA 2.091 64.268 62.300 -0.205 0.000 1.049 1045 V CB -1.192 30.521 31.823 -0.183 0.000 0.651 1045 V HN 0.260 nan 8.190 nan 0.000 0.450 1046 L N -0.233 120.755 121.223 -0.391 0.000 1.988 1046 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 1046 L C 2.762 179.486 176.870 -0.243 0.000 1.071 1046 L CA 1.991 56.623 54.840 -0.346 0.000 0.744 1046 L CB -0.984 40.852 42.059 -0.371 0.000 0.893 1046 L HN 0.433 nan 8.230 nan 0.000 0.433 1047 S N 0.165 115.735 115.700 -0.216 0.000 2.389 1047 S HA -0.255 4.215 4.470 -0.000 0.000 0.231 1047 S C 1.836 176.298 174.600 -0.229 0.000 1.052 1047 S CA 1.981 60.071 58.200 -0.183 0.000 1.053 1047 S CB -0.325 62.785 63.200 -0.149 0.000 0.886 1047 S HN 0.415 nan 8.310 nan 0.000 0.456 1048 N N 0.951 119.431 118.700 -0.367 0.000 2.080 1048 N HA 0.027 4.767 4.740 -0.000 0.000 0.189 1048 N C 1.908 177.302 175.510 -0.193 0.000 1.036 1048 N CA 1.584 54.416 53.050 -0.364 0.000 0.846 1048 N CB -0.526 37.586 38.487 -0.625 0.000 1.015 1048 N HN 0.460 nan 8.380 nan 0.000 0.423 1049 I N 1.600 122.071 120.570 -0.165 0.000 2.236 1049 I HA -0.312 3.858 4.170 -0.000 0.000 0.249 1049 I C 2.535 178.676 176.117 0.041 0.000 1.102 1049 I CA 1.267 62.553 61.300 -0.024 0.000 1.365 1049 I CB -0.230 37.760 38.000 -0.018 0.000 1.051 1049 I HN 0.305 nan 8.210 nan 0.000 0.420 1050 E N 1.363 121.542 120.200 -0.034 0.000 2.007 1050 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 1050 E C 2.267 178.890 176.600 0.039 0.000 0.999 1050 E CA 1.577 57.969 56.400 -0.013 0.000 0.811 1050 E CB -0.215 29.448 29.700 -0.062 0.000 0.762 1050 E HN 0.388 nan 8.360 nan 0.000 0.450 1051 A N 0.536 123.345 122.820 -0.019 0.000 1.892 1051 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 1051 A C 2.240 179.824 177.584 -0.001 0.000 1.188 1051 A CA 2.079 54.107 52.037 -0.016 0.000 0.631 1051 A CB -0.916 18.052 19.000 -0.053 0.000 0.822 1051 A HN 0.494 nan 8.150 nan 0.000 0.447 1052 Q N -1.862 117.932 119.800 -0.009 0.000 2.096 1052 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 1052 Q C 1.807 177.800 176.000 -0.011 0.000 0.982 1052 Q CA 1.933 57.730 55.803 -0.010 0.000 0.850 1052 Q CB -0.275 28.454 28.738 -0.015 0.000 0.901 1052 Q HN 0.735 nan 8.270 nan 0.000 0.422 1053 F N 0.625 120.507 119.950 -0.113 0.000 1.997 1053 F HA -0.264 4.263 4.527 -0.000 0.000 0.296 1053 F C 1.754 177.454 175.800 -0.167 0.000 1.160 1053 F CA 1.627 59.522 58.000 -0.174 0.000 1.176 1053 F CB -0.434 38.487 39.000 -0.132 0.000 0.964 1053 F HN 0.022 nan 8.300 nan 0.000 0.484 1054 L N 0.213 121.599 121.223 0.272 0.000 2.326 1054 L HA -0.337 4.003 4.340 -0.000 0.000 0.218 1054 L C 2.481 179.279 176.870 -0.120 0.000 1.098 1054 L CA 1.506 56.405 54.840 0.097 0.000 0.778 1054 L CB -0.643 41.466 42.059 0.084 0.000 0.893 1054 L HN 0.293 nan 8.230 nan 0.000 0.440 1055 R N -1.351 119.046 120.500 -0.171 0.000 2.140 1055 R HA 0.011 4.351 4.340 -0.000 0.000 0.213 1055 R C 2.210 178.195 176.300 -0.525 0.000 1.059 1055 R CA 1.011 56.964 56.100 -0.244 0.000 1.000 1055 R CB -0.091 30.122 30.300 -0.145 0.000 0.910 1055 R HN 0.225 nan 8.270 nan 0.000 0.455 1056 S N 0.788 116.137 115.700 -0.586 0.000 2.555 1056 S HA 0.024 4.493 4.470 -0.000 0.000 0.230 1056 S C 0.991 175.284 174.600 -0.512 0.000 0.978 1056 S CA 0.111 57.893 58.200 -0.696 0.000 0.934 1056 S CB -0.032 62.874 63.200 -0.489 0.000 0.766 1056 S HN -0.024 nan 8.310 nan 0.000 0.533 1057 V N 1.679 121.318 119.914 -0.458 0.000 3.503 1057 V HA 0.087 4.207 4.120 -0.000 0.000 0.300 1057 V C 0.673 176.668 176.094 -0.164 0.000 1.099 1057 V CA -0.322 61.797 62.300 -0.301 0.000 1.117 1057 V CB 0.498 32.183 31.823 -0.231 0.000 1.122 1057 V HN 0.082 nan 8.190 nan 0.000 0.476 1058 V N 1.000 120.885 119.914 -0.049 0.000 2.539 1058 V HA 0.257 4.377 4.120 -0.000 0.000 0.292 1058 V C 0.108 176.210 176.094 0.012 0.000 1.045 1058 V CA -0.601 61.735 62.300 0.059 0.000 0.945 1058 V CB 1.064 32.977 31.823 0.151 0.000 0.993 1058 V HN 0.770 nan 8.190 nan 0.000 0.464 1059 H N 4.714 123.763 119.070 -0.034 0.000 2.864 1059 H HA 0.182 4.738 4.556 -0.000 0.000 0.281 1059 H C -2.291 172.994 175.328 -0.071 0.000 1.093 1059 H CA -1.744 54.290 56.048 -0.024 0.000 1.453 1059 H CB 1.032 30.787 29.762 -0.012 0.000 1.462 1059 H HN 0.415 nan 8.280 nan 0.000 0.480 1060 P HA -0.030 nan 4.420 nan 0.000 0.257 1060 P C 0.903 178.023 177.300 -0.300 0.000 1.189 1060 P CA 0.907 63.887 63.100 -0.200 0.000 0.780 1060 P CB 0.500 32.049 31.700 -0.252 0.000 0.772 1061 G N 2.514 111.160 108.800 -0.256 0.000 3.382 1061 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.214 1061 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.214 1061 G C -0.037 174.760 174.900 -0.172 0.000 1.025 1061 G CA -0.465 44.517 45.100 -0.195 0.000 0.869 1061 G HN 0.425 nan 8.290 nan 0.000 0.458 1062 E N 2.084 122.189 120.200 -0.157 0.000 2.498 1062 E HA 0.104 4.454 4.350 -0.000 0.000 0.252 1062 E C 0.461 176.922 176.600 -0.232 0.000 1.025 1062 E CA 0.289 56.584 56.400 -0.176 0.000 0.938 1062 E CB 0.329 29.918 29.700 -0.185 0.000 0.947 1062 E HN 0.189 nan 8.360 nan 0.000 0.478 1063 M N 4.554 124.039 119.600 -0.191 0.000 3.596 1063 M HA -0.009 4.471 4.480 -0.000 0.000 0.212 1063 M C 1.164 177.351 176.300 -0.188 0.000 1.519 1063 M CA -0.049 55.138 55.300 -0.189 0.000 1.670 1063 M CB -0.729 31.784 32.600 -0.146 0.000 1.113 1063 M HN 0.243 nan 8.290 nan 0.000 0.565 1064 V N 0.932 120.689 119.914 -0.261 0.000 2.439 1064 V HA -0.269 3.851 4.120 -0.000 0.000 0.253 1064 V C 2.361 178.388 176.094 -0.112 0.000 1.074 1064 V CA 2.346 64.492 62.300 -0.256 0.000 1.076 1064 V CB -1.392 30.131 31.823 -0.500 0.000 0.664 1064 V HN 0.801 nan 8.190 nan 0.000 0.461 1065 G N 0.149 108.877 108.800 -0.120 0.000 2.511 1065 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 1065 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 1065 G C 1.655 176.499 174.900 -0.094 0.000 1.218 1065 G CA 1.340 46.385 45.100 -0.093 0.000 0.788 1065 G HN 0.371 nan 8.290 nan 0.000 0.560 1066 V N 1.148 120.995 119.914 -0.111 0.000 2.282 1066 V HA -0.189 3.931 4.120 -0.000 0.000 0.249 1066 V C 2.698 178.732 176.094 -0.101 0.000 1.057 1066 V CA 1.639 63.871 62.300 -0.112 0.000 1.032 1066 V CB -0.680 31.079 31.823 -0.107 0.000 0.645 1066 V HN 0.323 nan 8.190 nan 0.000 0.447 1067 L N 0.927 122.100 121.223 -0.083 0.000 1.933 1067 L HA -0.221 4.119 4.340 -0.000 0.000 0.220 1067 L C 2.629 179.427 176.870 -0.120 0.000 1.078 1067 L CA 2.932 57.730 54.840 -0.071 0.000 0.773 1067 L CB -1.749 40.305 42.059 -0.008 0.000 0.890 1067 L HN 0.322 nan 8.230 nan 0.000 0.434 1068 A N -0.357 122.463 122.820 -0.000 0.000 1.915 1068 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 1068 A C 2.450 179.963 177.584 -0.118 0.000 1.198 1068 A CA 3.057 55.108 52.037 0.024 0.000 0.647 1068 A CB -1.242 17.886 19.000 0.213 0.000 0.825 1068 A HN 0.723 nan 8.150 nan 0.000 0.456 1069 A N -0.815 121.943 122.820 -0.104 0.000 1.849 1069 A HA -0.297 4.022 4.320 -0.000 0.000 0.217 1069 A C 2.134 179.629 177.584 -0.149 0.000 1.202 1069 A CA 2.012 53.973 52.037 -0.128 0.000 0.629 1069 A CB -0.908 18.005 19.000 -0.145 0.000 0.834 1069 A HN 0.688 nan 8.150 nan 0.000 0.447 1070 Q N -0.371 119.337 119.800 -0.153 0.000 2.045 1070 Q HA -0.170 4.170 4.340 -0.000 0.000 0.206 1070 Q C 2.417 178.301 176.000 -0.193 0.000 0.991 1070 Q CA 1.881 57.589 55.803 -0.157 0.000 0.851 1070 Q CB -0.433 28.237 28.738 -0.114 0.000 0.911 1070 Q HN 0.647 nan 8.270 nan 0.000 0.418 1071 S N 0.649 116.192 115.700 -0.260 0.000 2.413 1071 S HA -0.195 4.275 4.470 -0.000 0.000 0.237 1071 S C 1.853 176.321 174.600 -0.219 0.000 1.044 1071 S CA 1.289 59.288 58.200 -0.335 0.000 1.024 1071 S CB -0.238 62.436 63.200 -0.877 0.000 0.829 1071 S HN 0.298 nan 8.310 nan 0.000 0.475 1072 I N 0.238 120.704 120.570 -0.173 0.000 2.556 1072 I HA 0.059 4.229 4.170 -0.000 0.000 0.251 1072 I C 2.688 178.740 176.117 -0.109 0.000 1.105 1072 I CA 0.760 61.998 61.300 -0.104 0.000 1.436 1072 I CB -0.764 37.194 38.000 -0.070 0.000 1.139 1072 I HN 0.353 nan 8.210 nan 0.000 0.438 1073 G N 0.538 109.264 108.800 -0.124 0.000 2.470 1073 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 1073 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 1073 G C 1.531 176.346 174.900 -0.140 0.000 1.121 1073 G CA 0.470 45.498 45.100 -0.120 0.000 0.766 1073 G HN 0.267 nan 8.290 nan 0.000 0.553 1074 E N 1.269 121.355 120.200 -0.190 0.000 2.006 1074 E HA -0.066 4.283 4.350 -0.000 0.000 0.192 1074 E C -0.057 176.428 176.600 -0.192 0.000 0.993 1074 E CA 1.041 57.283 56.400 -0.262 0.000 0.808 1074 E CB -0.860 28.563 29.700 -0.461 0.000 0.764 1074 E HN 0.350 nan 8.360 nan 0.000 0.449 1075 P HA -0.061 nan 4.420 nan 0.000 0.236 1075 P C 0.666 177.918 177.300 -0.080 0.000 1.172 1075 P CA 1.134 64.175 63.100 -0.098 0.000 0.759 1075 P CB -0.027 31.632 31.700 -0.069 0.000 0.843 1076 A N -0.130 122.638 122.820 -0.087 0.000 1.975 1076 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 1076 A C 2.224 179.773 177.584 -0.058 0.000 1.170 1076 A CA 1.520 53.517 52.037 -0.066 0.000 0.656 1076 A CB -1.384 17.577 19.000 -0.064 0.000 0.821 1076 A HN 0.160 nan 8.150 nan 0.000 0.449 1077 T N 0.133 114.644 114.554 -0.072 0.000 2.857 1077 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 1077 T C 1.825 176.493 174.700 -0.052 0.000 1.048 1077 T CA 1.206 63.270 62.100 -0.060 0.000 1.139 1077 T CB -0.177 68.648 68.868 -0.072 0.000 0.874 1077 T HN 0.411 nan 8.240 nan 0.000 0.455 1078 Q N 0.720 120.484 119.800 -0.060 0.000 2.437 1078 Q HA 0.127 4.467 4.340 -0.000 0.000 0.210 1078 Q C 0.763 176.741 176.000 -0.036 0.000 0.972 1078 Q CA 0.412 56.188 55.803 -0.046 0.000 0.903 1078 Q CB -0.519 28.191 28.738 -0.046 0.000 0.967 1078 Q HN 0.571 nan 8.270 nan 0.000 0.486 1079 M N 2.079 121.657 119.600 -0.038 0.000 3.102 1079 M HA 0.009 4.489 4.480 -0.000 0.000 0.269 1079 M C -0.303 175.980 176.300 -0.027 0.000 1.551 1079 M CA 0.510 55.790 55.300 -0.032 0.000 1.629 1079 M CB -0.553 32.026 32.600 -0.035 0.000 1.324 1079 M HN -0.206 nan 8.290 nan 0.000 0.509 1080 T N 4.737 119.276 114.554 -0.024 0.000 2.723 1080 T HA 0.618 4.968 4.350 -0.000 0.000 0.297 1080 T C 0.092 174.781 174.700 -0.020 0.000 0.925 1080 T CA -0.027 62.060 62.100 -0.022 0.000 1.030 1080 T CB 0.570 69.427 68.868 -0.019 0.000 0.905 1080 T HN 0.492 nan 8.240 nan 0.000 0.502 1093 K N 2.637 123.040 120.400 0.004 0.000 2.333 1093 K HA 0.269 4.588 4.320 -0.000 0.000 0.241 1093 K C -0.271 176.328 176.600 -0.001 0.000 1.193 1093 K CA -0.098 56.188 56.287 -0.002 0.000 1.142 1093 K CB 0.861 33.359 32.500 -0.004 0.000 1.731 1093 K HN -0.112 nan 8.250 nan 0.000 0.344 1094 V N 0.055 119.967 119.914 -0.002 0.000 3.488 1094 V HA 0.074 4.194 4.120 -0.000 0.000 0.291 1094 V C 1.575 177.665 176.094 -0.007 0.000 1.163 1094 V CA -0.414 61.884 62.300 -0.003 0.000 0.971 1094 V CB 1.715 33.536 31.823 -0.004 0.000 1.245 1094 V HN 0.494 nan 8.190 nan 0.000 0.456 1095 T N -0.060 114.489 114.554 -0.007 0.000 2.995 1095 T HA 0.096 4.446 4.350 -0.000 0.000 0.269 1095 T C 0.554 175.247 174.700 -0.010 0.000 1.091 1095 T CA 1.116 63.212 62.100 -0.006 0.000 1.128 1095 T CB -0.076 68.793 68.868 0.001 0.000 0.891 1095 T HN 0.736 nan 8.240 nan 0.000 0.492 1096 S N -1.179 114.510 115.700 -0.017 0.000 4.068 1096 S HA -0.018 4.452 4.470 -0.000 0.000 0.638 1096 S C 0.893 175.475 174.600 -0.029 0.000 1.485 1096 S CA -0.401 57.786 58.200 -0.023 0.000 1.677 1096 S CB -1.384 61.805 63.200 -0.019 0.000 0.328 1096 S HN 0.615 nan 8.310 nan 0.000 1.758 1097 G N 0.297 109.079 108.800 -0.030 0.000 3.311 1097 G HA2 0.410 4.370 3.960 -0.000 0.000 0.169 1097 G HA3 0.410 4.370 3.960 -0.000 0.000 0.169 1097 G C 1.346 176.232 174.900 -0.025 0.000 1.852 1097 G CA 0.530 45.609 45.100 -0.035 0.000 1.010 1097 G HN 1.208 nan 8.290 nan 0.000 0.530 1098 V N 3.116 123.016 119.914 -0.022 0.000 2.285 1098 V HA -0.265 3.855 4.120 -0.000 0.000 0.259 1098 V C 0.619 176.714 176.094 0.002 0.000 1.088 1098 V CA 3.045 65.339 62.300 -0.011 0.000 1.098 1098 V CB -1.676 30.142 31.823 -0.009 0.000 0.738 1098 V HN 0.601 nan 8.190 nan 0.000 0.461 1099 P HA -0.203 nan 4.420 nan 0.000 0.217 1099 P C 1.552 178.863 177.300 0.019 0.000 1.150 1099 P CA 2.012 65.121 63.100 0.014 0.000 0.832 1099 P CB -0.105 31.599 31.700 0.008 0.000 0.787 1100 R N 0.565 121.069 120.500 0.006 0.000 2.066 1100 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 1100 R C 2.390 178.693 176.300 0.006 0.000 1.131 1100 R CA 1.196 57.299 56.100 0.005 0.000 0.955 1100 R CB -1.918 28.373 30.300 -0.015 0.000 0.851 1100 R HN 0.107 nan 8.270 nan 0.000 0.432 1101 L N 1.181 122.400 121.223 -0.007 0.000 2.042 1101 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 1101 L C 2.172 179.059 176.870 0.027 0.000 1.076 1101 L CA 2.134 56.969 54.840 -0.008 0.000 0.749 1101 L CB -0.721 41.327 42.059 -0.019 0.000 0.893 1101 L HN 0.313 nan 8.230 nan 0.000 0.432 1102 K N -0.446 119.978 120.400 0.041 0.000 2.063 1102 K HA -0.276 4.044 4.320 -0.000 0.000 0.208 1102 K C 2.169 178.823 176.600 0.091 0.000 1.048 1102 K CA 1.947 58.278 56.287 0.074 0.000 0.928 1102 K CB -0.194 32.351 32.500 0.074 0.000 0.713 1102 K HN 0.533 nan 8.250 nan 0.000 0.442 1103 E N 0.406 120.653 120.200 0.079 0.000 2.118 1103 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 1103 E C 1.948 178.643 176.600 0.159 0.000 0.992 1103 E CA 1.375 57.836 56.400 0.103 0.000 0.804 1103 E CB 0.004 29.753 29.700 0.083 0.000 0.741 1103 E HN 0.356 nan 8.360 nan 0.000 0.458 1104 I N 0.332 120.980 120.570 0.130 0.000 2.233 1104 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 1104 I C 2.132 178.379 176.117 0.217 0.000 1.093 1104 I CA 0.786 62.189 61.300 0.171 0.000 1.380 1104 I CB -0.147 37.842 38.000 -0.018 0.000 1.067 1104 I HN 0.175 nan 8.210 nan 0.000 0.413 1105 L N 0.534 121.841 121.223 0.140 0.000 2.275 1105 L HA -0.137 4.203 4.340 -0.000 0.000 0.215 1105 L C 1.938 178.910 176.870 0.171 0.000 1.119 1105 L CA 0.866 55.790 54.840 0.140 0.000 0.790 1105 L CB -0.599 41.516 42.059 0.093 0.000 0.919 1105 L HN 0.335 nan 8.230 nan 0.000 0.443 1106 N N -0.441 118.362 118.700 0.171 0.000 2.424 1106 N HA -0.007 4.733 4.740 -0.000 0.000 0.178 1106 N C 0.566 176.164 175.510 0.146 0.000 1.060 1106 N CA 0.326 53.475 53.050 0.166 0.000 0.901 1106 N CB 0.608 39.184 38.487 0.149 0.000 0.979 1106 N HN -0.048 nan 8.380 nan 0.000 0.451 1107 V N 0.972 120.992 119.914 0.177 0.000 6.016 1107 V HA -0.259 3.861 4.120 -0.000 0.000 0.265 1107 V C 0.266 176.376 176.094 0.026 0.000 0.621 1107 V CA 0.366 62.721 62.300 0.091 0.000 0.592 1107 V CB -2.323 29.515 31.823 0.025 0.000 0.298 1107 V HN 0.401 nan 8.190 nan 0.000 0.615 1108 A N 2.101 124.962 122.820 0.068 0.000 2.366 1108 A HA 0.663 4.983 4.320 -0.000 0.000 0.272 1108 A C 0.964 178.547 177.584 -0.000 0.000 1.135 1108 A CA 0.274 52.334 52.037 0.038 0.000 0.804 1108 A CB 1.021 20.060 19.000 0.065 0.000 1.064 1108 A HN 0.627 nan 8.150 nan 0.000 0.499 1109 K N 1.979 122.366 120.400 -0.022 0.000 2.103 1109 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 1109 K C 0.280 176.872 176.600 -0.014 0.000 1.052 1109 K CA 1.766 58.031 56.287 -0.036 0.000 0.945 1109 K CB 0.037 32.512 32.500 -0.041 0.000 0.722 1109 K HN 0.807 nan 8.250 nan 0.000 0.443 1110 N N 2.548 121.248 118.700 -0.001 0.000 2.955 1110 N HA 0.103 4.843 4.740 -0.000 0.000 0.242 1110 N C -0.524 174.998 175.510 0.019 0.000 1.123 1110 N CA -0.206 52.847 53.050 0.005 0.000 0.949 1110 N CB 0.355 38.842 38.487 -0.000 0.000 1.214 1110 N HN 0.199 nan 8.380 nan 0.000 0.504 1111 M N -0.795 118.823 119.600 0.030 0.000 2.217 1111 M HA 0.277 4.757 4.480 -0.000 0.000 0.354 1111 M C 0.933 177.248 176.300 0.025 0.000 1.225 1111 M CA -0.423 54.903 55.300 0.042 0.000 1.137 1111 M CB 1.445 34.088 32.600 0.071 0.000 1.576 1111 M HN 0.035 nan 8.290 nan 0.000 0.461 1112 K N 1.010 121.423 120.400 0.022 0.000 2.034 1112 K HA -0.089 4.231 4.320 -0.000 0.000 0.214 1112 K C 0.322 176.927 176.600 0.008 0.000 1.051 1112 K CA 1.698 57.992 56.287 0.012 0.000 0.931 1112 K CB -0.285 32.221 32.500 0.010 0.000 0.715 1112 K HN 0.750 nan 8.250 nan 0.000 0.446 1113 T N 1.375 115.935 114.554 0.009 0.000 2.795 1113 T HA 0.161 4.511 4.350 -0.000 0.000 0.282 1113 T C -1.974 172.728 174.700 0.004 0.000 0.980 1113 T CA -1.466 60.636 62.100 0.003 0.000 1.012 1113 T CB 2.099 70.967 68.868 -0.000 0.000 0.936 1113 T HN 0.098 nan 8.240 nan 0.000 0.457 1114 P HA 0.153 nan 4.420 nan 0.000 0.220 1114 P C 0.587 177.873 177.300 -0.024 0.000 1.115 1114 P CA 0.147 63.244 63.100 -0.005 0.000 0.942 1114 P CB 0.334 32.030 31.700 -0.006 0.000 0.888 1115 S N -0.027 115.659 115.700 -0.024 0.000 3.194 1115 S HA -0.092 4.378 4.470 -0.000 0.000 0.667 1115 S C -0.420 174.146 174.600 -0.057 0.000 2.742 1115 S CA 1.027 59.208 58.200 -0.033 0.000 2.901 1115 S CB -0.921 62.261 63.200 -0.029 0.000 0.318 1115 S HN 0.555 nan 8.310 nan 0.000 1.690 1116 L N -0.048 121.139 121.223 -0.059 0.000 4.439 1116 L HA 0.496 4.836 4.340 -0.000 0.000 0.261 1116 L C -0.617 176.227 176.870 -0.043 0.000 1.052 1116 L CA 0.091 54.888 54.840 -0.072 0.000 1.191 1116 L CB 0.615 42.648 42.059 -0.043 0.000 1.969 1116 L HN 0.549 nan 8.230 nan 0.000 0.580 1117 T N 4.333 118.866 114.554 -0.036 0.000 2.733 1117 T HA 0.656 5.006 4.350 -0.000 0.000 0.294 1117 T C 0.048 174.684 174.700 -0.107 0.000 0.956 1117 T CA 0.025 62.080 62.100 -0.075 0.000 0.987 1117 T CB 1.004 69.848 68.868 -0.040 0.000 0.920 1117 T HN 0.971 nan 8.240 nan 0.000 0.470 1118 V N 2.388 122.221 119.914 -0.134 0.000 2.370 1118 V HA 0.616 4.736 4.120 -0.000 0.000 0.283 1118 V C -0.957 175.066 176.094 -0.118 0.000 1.023 1118 V CA -1.149 61.123 62.300 -0.047 0.000 0.857 1118 V CB -0.080 31.750 31.823 0.011 0.000 0.985 1118 V HN 0.670 nan 8.190 nan 0.000 0.443 1119 Y N 3.927 124.283 120.300 0.093 0.000 2.335 1119 Y HA 0.645 5.195 4.550 -0.000 0.000 0.323 1119 Y C 0.615 176.564 175.900 0.082 0.000 1.224 1119 Y CA -0.715 57.439 58.100 0.090 0.000 1.241 1119 Y CB 0.945 39.467 38.460 0.103 0.000 1.235 1119 Y HN 0.514 nan 8.280 nan 0.000 0.492 1120 L N 0.573 121.942 121.223 0.243 0.000 2.440 1120 L HA 0.081 4.421 4.340 -0.000 0.000 0.184 1120 L C 0.453 177.431 176.870 0.179 0.000 1.111 1120 L CA -0.041 54.906 54.840 0.179 0.000 0.910 1120 L CB -0.132 42.034 42.059 0.178 0.000 1.455 1120 L HN 0.608 nan 8.230 nan 0.000 0.523 1121 E N -0.622 119.687 120.200 0.181 0.000 2.242 1121 E HA 0.205 4.555 4.350 -0.000 0.000 0.275 1121 E C -1.762 174.905 176.600 0.111 0.000 1.002 1121 E CA -1.612 54.885 56.400 0.161 0.000 0.841 1121 E CB 1.284 31.120 29.700 0.227 0.000 1.109 1121 E HN 0.244 nan 8.360 nan 0.000 0.394 1122 P HA -0.336 nan 4.420 nan 0.000 0.220 1122 P C 0.958 178.241 177.300 -0.029 0.000 0.849 1122 P CA 2.225 65.328 63.100 0.003 0.000 1.048 1122 P CB -0.099 31.590 31.700 -0.019 0.000 0.727 1123 G N -0.749 107.975 108.800 -0.126 0.000 2.552 1123 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 1123 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 1123 G C 0.270 175.085 174.900 -0.142 0.000 1.240 1123 G CA 0.700 45.685 45.100 -0.192 0.000 0.796 1123 G HN 0.452 nan 8.290 nan 0.000 0.568 1124 H N 1.504 120.598 119.070 0.040 0.000 3.327 1124 H HA 0.263 4.819 4.556 -0.000 0.000 0.229 1124 H C 0.907 176.280 175.328 0.074 0.000 0.895 1124 H CA 0.497 56.573 56.048 0.046 0.000 1.380 1124 H CB -0.032 29.751 29.762 0.035 0.000 1.545 1124 H HN 0.354 nan 8.280 nan 0.000 0.509 1125 A N 3.377 126.298 122.820 0.169 0.000 1.845 1125 A HA 0.428 4.748 4.320 -0.000 0.000 0.188 1125 A C 1.976 179.708 177.584 0.247 0.000 2.173 1125 A CA 0.357 52.505 52.037 0.184 0.000 1.255 1125 A CB -0.691 18.389 19.000 0.133 0.000 0.999 1125 A HN 0.542 nan 8.150 nan 0.000 0.634 1126 A N 0.152 123.103 122.820 0.218 0.000 2.259 1126 A HA 0.010 4.330 4.320 -0.000 0.000 0.212 1126 A C 0.351 178.065 177.584 0.217 0.000 1.178 1126 A CA 0.832 53.040 52.037 0.284 0.000 0.734 1126 A CB -0.730 18.382 19.000 0.186 0.000 0.774 1126 A HN 0.408 nan 8.150 nan 0.000 0.481 1127 D N 0.434 120.911 120.400 0.127 0.000 2.422 1127 D HA 0.062 4.702 4.640 -0.000 0.000 0.263 1127 D C 1.451 177.645 176.300 -0.177 0.000 1.334 1127 D CA 0.258 54.264 54.000 0.010 0.000 1.105 1127 D CB 0.579 41.405 40.800 0.044 0.000 1.107 1127 D HN 0.526 nan 8.370 nan 0.000 0.522 1128 Q N 2.806 122.426 119.800 -0.300 0.000 2.082 1128 Q HA -0.273 4.067 4.340 -0.000 0.000 0.211 1128 Q C 1.645 177.315 176.000 -0.550 0.000 1.002 1128 Q CA 2.061 57.442 55.803 -0.703 0.000 0.868 1128 Q CB -0.072 28.399 28.738 -0.446 0.000 0.931 1128 Q HN 0.592 nan 8.270 nan 0.000 0.414 1129 E N -0.984 119.033 120.200 -0.304 0.000 2.047 1129 E HA -0.270 4.079 4.350 -0.000 0.000 0.191 1129 E C 2.006 178.486 176.600 -0.200 0.000 0.987 1129 E CA 1.103 57.364 56.400 -0.230 0.000 0.799 1129 E CB -0.204 29.406 29.700 -0.151 0.000 0.752 1129 E HN 0.461 nan 8.360 nan 0.000 0.449 1130 Q N 0.749 120.451 119.800 -0.163 0.000 2.290 1130 Q HA -0.233 4.107 4.340 -0.000 0.000 0.211 1130 Q C 1.641 177.565 176.000 -0.128 0.000 0.991 1130 Q CA 2.028 57.749 55.803 -0.136 0.000 0.893 1130 Q CB -0.461 28.223 28.738 -0.091 0.000 0.913 1130 Q HN 0.366 nan 8.270 nan 0.000 0.428 1131 A N 0.320 123.041 122.820 -0.165 0.000 1.855 1131 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 1131 A C 1.951 179.457 177.584 -0.130 0.000 1.191 1131 A CA 1.643 53.602 52.037 -0.129 0.000 0.613 1131 A CB -0.487 18.401 19.000 -0.187 0.000 0.829 1131 A HN 0.439 nan 8.150 nan 0.000 0.442 1132 K N -0.202 120.088 120.400 -0.183 0.000 2.015 1132 K HA -0.188 4.132 4.320 -0.000 0.000 0.216 1132 K C 1.806 178.337 176.600 -0.115 0.000 1.052 1132 K CA 1.791 57.983 56.287 -0.158 0.000 0.937 1132 K CB -0.701 31.693 32.500 -0.176 0.000 0.719 1132 K HN 0.437 nan 8.250 nan 0.000 0.446 1133 L N 0.864 122.019 121.223 -0.112 0.000 2.211 1133 L HA -0.263 4.077 4.340 -0.000 0.000 0.216 1133 L C 2.260 179.087 176.870 -0.071 0.000 1.092 1133 L CA 1.261 56.047 54.840 -0.091 0.000 0.767 1133 L CB -0.577 41.422 42.059 -0.099 0.000 0.894 1133 L HN 0.283 nan 8.230 nan 0.000 0.437 1134 I N -1.722 118.809 120.570 -0.065 0.000 2.429 1134 I HA -0.143 4.027 4.170 -0.000 0.000 0.247 1134 I C 2.686 178.785 176.117 -0.030 0.000 1.099 1134 I CA 0.340 61.616 61.300 -0.040 0.000 1.422 1134 I CB -0.487 37.497 38.000 -0.026 0.000 1.112 1134 I HN 0.187 nan 8.210 nan 0.000 0.430 1135 R N 2.238 122.715 120.500 -0.039 0.000 2.154 1135 R HA -0.272 4.068 4.340 -0.000 0.000 0.236 1135 R C 2.332 178.622 176.300 -0.016 0.000 1.121 1135 R CA 2.993 59.078 56.100 -0.025 0.000 0.915 1135 R CB -0.747 29.521 30.300 -0.054 0.000 0.856 1135 R HN 0.460 nan 8.270 nan 0.000 0.431 1136 S N -0.456 115.221 115.700 -0.038 0.000 2.528 1136 S HA -0.028 4.442 4.470 -0.000 0.000 0.244 1136 S C 1.660 176.247 174.600 -0.022 0.000 0.982 1136 S CA 0.922 59.103 58.200 -0.031 0.000 0.953 1136 S CB 0.027 63.195 63.200 -0.054 0.000 0.754 1136 S HN 0.560 nan 8.310 nan 0.000 0.529 1137 A N 0.396 123.205 122.820 -0.018 0.000 2.303 1137 A HA 0.532 4.852 4.320 -0.000 0.000 0.217 1137 A C 1.715 179.301 177.584 0.005 0.000 1.205 1137 A CA 0.029 52.059 52.037 -0.012 0.000 0.875 1137 A CB -0.166 18.823 19.000 -0.018 0.000 0.910 1137 A HN 0.582 nan 8.150 nan 0.000 0.501 1138 I N -1.053 119.524 120.570 0.013 0.000 3.132 1138 I HA 0.085 4.255 4.170 -0.000 0.000 0.255 1138 I C 1.007 177.153 176.117 0.049 0.000 1.118 1138 I CA -0.094 61.222 61.300 0.027 0.000 1.463 1138 I CB -0.391 37.623 38.000 0.023 0.000 1.356 1138 I HN 0.301 nan 8.210 nan 0.000 0.463 1139 E N 2.684 122.915 120.200 0.052 0.000 2.765 1139 E HA -0.221 4.129 4.350 -0.000 0.000 0.256 1139 E C -0.155 176.503 176.600 0.098 0.000 0.935 1139 E CA 0.180 56.626 56.400 0.077 0.000 0.954 1139 E CB 0.214 29.963 29.700 0.082 0.000 0.908 1139 E HN 0.201 nan 8.360 nan 0.000 0.500 1140 H N 3.290 122.361 119.070 0.003 0.000 2.819 1140 H HA 0.200 4.756 4.556 -0.000 0.000 0.303 1140 H C -1.070 174.256 175.328 -0.004 0.000 1.058 1140 H CA 0.268 56.314 56.048 -0.004 0.000 1.471 1140 H CB 0.685 30.443 29.762 -0.007 0.000 1.480 1140 H HN 0.350 nan 8.280 nan 0.000 0.517 1141 T N 5.011 119.378 114.554 -0.311 0.000 2.841 1141 T HA 0.358 4.708 4.350 -0.000 0.000 0.285 1141 T C -0.602 173.888 174.700 -0.351 0.000 0.991 1141 T CA -0.853 61.103 62.100 -0.241 0.000 0.966 1141 T CB 0.938 69.734 68.868 -0.120 0.000 0.962 1141 T HN 0.714 nan 8.240 nan 0.000 0.438 1142 T N 1.199 115.598 114.554 -0.258 0.000 2.885 1142 T HA 0.444 4.794 4.350 -0.000 0.000 0.285 1142 T C 1.204 175.841 174.700 -0.105 0.000 1.019 1142 T CA -0.926 61.057 62.100 -0.195 0.000 1.010 1142 T CB 1.417 70.201 68.868 -0.141 0.000 1.022 1142 T HN 0.238 nan 8.240 nan 0.000 0.466 1143 L N 1.724 122.898 121.223 -0.082 0.000 2.103 1143 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 1143 L C 2.454 179.301 176.870 -0.039 0.000 1.080 1143 L CA 1.970 56.776 54.840 -0.057 0.000 0.764 1143 L CB -0.856 41.182 42.059 -0.035 0.000 0.890 1143 L HN 0.926 nan 8.230 nan 0.000 0.435 1144 K N -0.901 119.481 120.400 -0.031 0.000 2.211 1144 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 1144 K C 1.906 178.495 176.600 -0.019 0.000 1.047 1144 K CA 1.415 57.692 56.287 -0.016 0.000 0.935 1144 K CB -0.127 32.370 32.500 -0.006 0.000 0.728 1144 K HN 0.650 nan 8.250 nan 0.000 0.452 1145 S N -0.661 115.020 115.700 -0.032 0.000 2.562 1145 S HA -0.024 4.446 4.470 -0.000 0.000 0.221 1145 S C 1.462 176.048 174.600 -0.025 0.000 0.975 1145 S CA 0.499 58.683 58.200 -0.027 0.000 0.918 1145 S CB 0.401 63.580 63.200 -0.035 0.000 0.772 1145 S HN 0.206 nan 8.310 nan 0.000 0.531 1146 V N -2.425 117.470 119.914 -0.030 0.000 3.502 1146 V HA 0.334 4.454 4.120 -0.000 0.000 0.288 1146 V C 0.308 176.388 176.094 -0.023 0.000 1.461 1146 V CA -0.250 62.032 62.300 -0.029 0.000 1.029 1146 V CB -0.564 31.234 31.823 -0.042 0.000 0.843 1146 V HN 0.258 nan 8.190 nan 0.000 0.438 1147 T N 1.716 116.259 114.554 -0.019 0.000 2.817 1147 T HA 0.561 4.911 4.350 -0.000 0.000 0.293 1147 T C 1.126 175.824 174.700 -0.003 0.000 0.964 1147 T CA 0.078 62.171 62.100 -0.011 0.000 1.085 1147 T CB 1.989 70.853 68.868 -0.007 0.000 0.921 1147 T HN 0.181 nan 8.240 nan 0.000 0.502 1148 I N 1.352 121.922 120.570 0.001 0.000 2.731 1148 I HA 0.311 4.481 4.170 -0.000 0.000 0.260 1148 I C 1.148 177.273 176.117 0.013 0.000 1.138 1148 I CA 0.276 61.580 61.300 0.007 0.000 1.461 1148 I CB 0.150 38.155 38.000 0.008 0.000 1.128 1148 I HN 0.647 nan 8.210 nan 0.000 0.438 1149 A N 0.124 122.955 122.820 0.018 0.000 2.594 1149 A HA 0.578 4.898 4.320 -0.000 0.000 0.296 1149 A C -0.772 176.831 177.584 0.033 0.000 1.056 1149 A CA -0.461 51.593 52.037 0.027 0.000 0.693 1149 A CB 1.053 20.075 19.000 0.036 0.000 1.278 1149 A HN 0.080 nan 8.150 nan 0.000 0.408 1150 S N 0.702 116.425 115.700 0.039 0.000 2.503 1150 S HA 0.881 5.351 4.470 -0.000 0.000 0.301 1150 S C -0.701 173.945 174.600 0.078 0.000 1.087 1150 S CA -0.549 57.678 58.200 0.046 0.000 1.042 1150 S CB 1.708 64.927 63.200 0.032 0.000 1.043 1150 S HN 0.707 nan 8.310 nan 0.000 0.489 1151 E N 0.924 121.194 120.200 0.117 0.000 2.383 1151 E HA 0.512 4.862 4.350 -0.000 0.000 0.275 1151 E C -1.265 175.487 176.600 0.254 0.000 0.918 1151 E CA -0.760 55.768 56.400 0.213 0.000 0.764 1151 E CB 2.209 32.153 29.700 0.406 0.000 1.252 1151 E HN 0.694 nan 8.360 nan 0.000 0.449 1152 I N 2.479 123.211 120.570 0.271 0.000 2.464 1152 I HA 0.336 4.506 4.170 -0.000 0.000 0.277 1152 I C -0.964 175.401 176.117 0.414 0.000 1.040 1152 I CA -0.732 60.735 61.300 0.279 0.000 1.153 1152 I CB 0.041 38.102 38.000 0.102 0.000 1.274 1152 I HN 0.347 nan 8.210 nan 0.000 0.469 1153 Y N 3.914 124.340 120.300 0.210 0.000 2.418 1153 Y HA 0.330 4.880 4.550 -0.000 0.000 0.327 1153 Y C -0.308 175.850 175.900 0.429 0.000 1.309 1153 Y CA -0.985 57.272 58.100 0.260 0.000 1.423 1153 Y CB 0.571 39.119 38.460 0.147 0.000 1.423 1153 Y HN 0.397 nan 8.280 nan 0.000 0.532 1154 Y N 1.496 122.005 120.300 0.347 0.000 2.447 1154 Y HA 0.346 4.896 4.550 -0.000 0.000 0.325 1154 Y C -1.186 174.693 175.900 -0.035 0.000 0.976 1154 Y CA -0.855 57.248 58.100 0.005 0.000 1.280 1154 Y CB 0.517 38.869 38.460 -0.179 0.000 1.104 1154 Y HN 0.514 nan 8.280 nan 0.000 0.486 1155 D N 8.704 128.812 120.400 -0.487 0.000 2.421 1155 D HA 0.247 4.887 4.640 -0.000 0.000 0.254 1155 D C -2.300 173.680 176.300 -0.533 0.000 1.238 1155 D CA -1.613 52.163 54.000 -0.374 0.000 0.919 1155 D CB 2.492 43.212 40.800 -0.134 0.000 1.152 1155 D HN 0.316 nan 8.370 nan 0.000 0.552 1156 P HA 0.056 nan 4.420 nan 0.000 0.235 1156 P C 0.108 177.268 177.300 -0.233 0.000 1.177 1156 P CA 0.168 62.984 63.100 -0.473 0.000 0.785 1156 P CB 0.805 32.231 31.700 -0.456 0.000 0.885 1157 D N 2.050 122.349 120.400 -0.169 0.000 2.479 1157 D HA 0.131 4.771 4.640 -0.000 0.000 0.218 1157 D C -1.412 174.842 176.300 -0.077 0.000 1.131 1157 D CA -2.505 51.439 54.000 -0.094 0.000 0.916 1157 D CB 0.616 41.384 40.800 -0.054 0.000 1.022 1157 D HN 0.068 nan 8.370 nan 0.000 0.515 1158 P HA -0.087 nan 4.420 nan 0.000 0.250 1158 P C 0.401 177.675 177.300 -0.042 0.000 1.239 1158 P CA 0.444 63.498 63.100 -0.077 0.000 0.756 1158 P CB 0.228 31.856 31.700 -0.119 0.000 1.013 1159 R N -0.560 119.943 120.500 0.005 0.000 2.476 1159 R HA 0.208 4.548 4.340 -0.000 0.000 0.276 1159 R C 0.306 176.676 176.300 0.117 0.000 0.941 1159 R CA 0.176 56.336 56.100 0.100 0.000 1.088 1159 R CB 0.651 31.033 30.300 0.138 0.000 1.216 1159 R HN 0.229 nan 8.270 nan 0.000 0.533 1160 S N -1.018 114.708 115.700 0.044 0.000 2.558 1160 S HA 0.365 4.835 4.470 -0.000 0.000 0.277 1160 S C -0.725 173.877 174.600 0.002 0.000 1.143 1160 S CA -0.812 57.412 58.200 0.039 0.000 0.865 1160 S CB 2.388 65.612 63.200 0.040 0.000 1.102 1160 S HN -0.117 nan 8.310 nan 0.000 0.454 1161 T N 1.590 116.147 114.554 0.004 0.000 2.918 1161 T HA 0.486 4.835 4.350 -0.000 0.000 0.286 1161 T C 0.864 175.573 174.700 0.016 0.000 1.026 1161 T CA -0.655 61.441 62.100 -0.007 0.000 1.031 1161 T CB 1.586 70.439 68.868 -0.025 0.000 1.046 1161 T HN 0.660 nan 8.240 nan 0.000 0.479 1162 V N 2.154 122.089 119.914 0.035 0.000 3.636 1162 V HA 0.185 4.305 4.120 -0.000 0.000 0.279 1162 V C 0.325 176.473 176.094 0.090 0.000 1.263 1162 V CA 0.709 63.050 62.300 0.069 0.000 1.182 1162 V CB -1.296 30.588 31.823 0.102 0.000 0.955 1162 V HN 0.605 nan 8.190 nan 0.000 0.443 1163 I N 1.575 122.182 120.570 0.062 0.000 2.433 1163 I HA 0.319 4.489 4.170 -0.000 0.000 0.292 1163 I C -1.061 175.076 176.117 0.033 0.000 1.001 1163 I CA -2.050 59.287 61.300 0.061 0.000 1.119 1163 I CB 2.205 40.213 38.000 0.013 0.000 1.289 1163 I HN -0.058 nan 8.210 nan 0.000 0.438 1164 P HA -0.182 nan 4.420 nan 0.000 0.210 1164 P C 0.871 178.183 177.300 0.019 0.000 1.189 1164 P CA 1.599 64.717 63.100 0.029 0.000 0.920 1164 P CB 0.165 31.885 31.700 0.032 0.000 0.782 1165 E N -0.307 119.904 120.200 0.018 0.000 2.394 1165 E HA -0.192 4.158 4.350 -0.000 0.000 0.202 1165 E C 0.864 177.464 176.600 -0.000 0.000 1.029 1165 E CA 1.162 57.568 56.400 0.010 0.000 0.855 1165 E CB -0.600 29.106 29.700 0.011 0.000 0.770 1165 E HN 0.381 nan 8.360 nan 0.000 0.527 1166 D N -0.214 120.182 120.400 -0.008 0.000 2.369 1166 D HA 0.017 4.657 4.640 -0.000 0.000 0.211 1166 D C 1.179 177.476 176.300 -0.004 0.000 1.077 1166 D CA 0.064 54.052 54.000 -0.020 0.000 0.842 1166 D CB 0.281 41.050 40.800 -0.053 0.000 0.947 1166 D HN 0.166 nan 8.370 nan 0.000 0.509 1167 E N 0.799 121.007 120.200 0.013 0.000 2.038 1167 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 1167 E C 1.667 178.295 176.600 0.047 0.000 1.000 1167 E CA 0.837 57.257 56.400 0.033 0.000 0.803 1167 E CB 0.004 29.725 29.700 0.036 0.000 0.750 1167 E HN 0.357 nan 8.360 nan 0.000 0.448 1168 E N 0.688 120.910 120.200 0.036 0.000 2.267 1168 E HA -0.200 4.149 4.350 -0.000 0.000 0.197 1168 E C 1.910 178.531 176.600 0.036 0.000 0.998 1168 E CA 0.665 57.090 56.400 0.042 0.000 0.830 1168 E CB -0.028 29.690 29.700 0.030 0.000 0.751 1168 E HN 0.289 nan 8.360 nan 0.000 0.491 1169 I N 0.489 121.065 120.570 0.009 0.000 2.500 1169 I HA -0.204 3.966 4.170 -0.000 0.000 0.252 1169 I C 2.074 178.160 176.117 -0.052 0.000 1.142 1169 I CA 0.584 61.869 61.300 -0.025 0.000 1.451 1169 I CB -0.136 37.836 38.000 -0.047 0.000 1.093 1169 I HN 0.171 nan 8.210 nan 0.000 0.430 1170 I N 0.200 120.749 120.570 -0.035 0.000 2.333 1170 I HA -0.217 3.953 4.170 -0.000 0.000 0.246 1170 I C 2.337 178.371 176.117 -0.140 0.000 1.106 1170 I CA 1.072 62.293 61.300 -0.133 0.000 1.411 1170 I CB -0.678 37.283 38.000 -0.066 0.000 1.082 1170 I HN 0.196 nan 8.210 nan 0.000 0.420 1171 Q N 1.123 121.068 119.800 0.242 0.000 2.297 1171 Q HA -0.127 4.213 4.340 -0.000 0.000 0.208 1171 Q C 2.307 178.516 176.000 0.349 0.000 0.981 1171 Q CA 1.250 57.373 55.803 0.533 0.000 0.876 1171 Q CB -0.155 28.754 28.738 0.285 0.000 0.921 1171 Q HN 0.590 nan 8.270 nan 0.000 0.446 1172 L N -1.130 120.170 121.223 0.128 0.000 2.270 1172 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 1172 L C 2.064 178.952 176.870 0.030 0.000 1.104 1172 L CA 0.749 55.631 54.840 0.070 0.000 0.804 1172 L CB -0.200 41.871 42.059 0.021 0.000 0.937 1172 L HN 0.236 nan 8.230 nan 0.000 0.450 1173 H N -0.461 118.522 119.070 -0.145 0.000 2.535 1173 H HA -0.005 4.551 4.556 -0.000 0.000 0.273 1173 H C 1.868 177.108 175.328 -0.147 0.000 0.983 1173 H CA 0.654 56.585 56.048 -0.195 0.000 1.238 1173 H CB 0.059 29.657 29.762 -0.274 0.000 1.412 1173 H HN 0.129 nan 8.280 nan 0.000 0.562 1174 F N 0.836 120.755 119.950 -0.052 0.000 2.192 1174 F HA -0.238 4.289 4.527 -0.000 0.000 0.301 1174 F C 2.289 178.003 175.800 -0.142 0.000 1.079 1174 F CA 1.138 59.093 58.000 -0.075 0.000 1.303 1174 F CB -0.659 38.321 39.000 -0.034 0.000 1.024 1174 F HN 0.202 nan 8.300 nan 0.000 0.494 1175 S N 1.382 117.091 115.700 0.014 0.000 3.032 1175 S HA -0.032 4.438 4.470 -0.000 0.000 0.251 1175 S C 0.489 175.019 174.600 -0.117 0.000 1.017 1175 S CA -0.068 58.105 58.200 -0.044 0.000 1.098 1175 S CB -2.000 61.166 63.200 -0.056 0.000 0.846 1175 S HN 0.333 nan 8.310 nan 0.000 0.538 1188 Q N 1.340 121.096 119.800 -0.073 0.000 2.193 1188 Q HA 0.665 5.005 4.340 -0.000 0.000 0.246 1188 Q C -0.926 175.054 176.000 -0.034 0.000 0.959 1188 Q CA -0.502 55.266 55.803 -0.059 0.000 0.904 1188 Q CB 2.064 30.733 28.738 -0.114 0.000 1.238 1188 Q HN 0.234 nan 8.270 nan 0.000 0.469 1189 S N 0.833 116.535 115.700 0.002 0.000 2.586 1189 S HA 0.277 4.747 4.470 -0.000 0.000 0.274 1189 S C -1.749 172.825 174.600 -0.043 0.000 1.281 1189 S CA -1.700 56.514 58.200 0.025 0.000 1.035 1189 S CB 0.609 63.884 63.200 0.125 0.000 0.962 1189 S HN 0.471 nan 8.310 nan 0.000 0.512 1190 P HA 0.039 nan 4.420 nan 0.000 0.241 1190 P C -0.420 176.601 177.300 -0.465 0.000 1.191 1190 P CA 0.259 63.105 63.100 -0.424 0.000 0.771 1190 P CB -0.038 31.283 31.700 -0.632 0.000 0.929 1191 W N 1.155 122.422 121.300 -0.056 0.000 2.481 1191 W HA 0.326 4.986 4.660 -0.000 0.000 0.320 1191 W C 0.505 177.028 176.519 0.005 0.000 1.209 1191 W CA -1.002 56.353 57.345 0.017 0.000 1.400 1191 W CB 0.287 29.793 29.460 0.078 0.000 1.361 1191 W HN -0.094 nan 8.180 nan 0.000 0.456 1192 L N 5.250 126.653 121.223 0.300 0.000 2.399 1192 L HA 0.564 4.904 4.340 -0.000 0.000 0.266 1192 L C -0.819 176.158 176.870 0.178 0.000 1.114 1192 L CA -0.643 54.297 54.840 0.167 0.000 0.804 1192 L CB 0.815 42.925 42.059 0.085 0.000 1.146 1192 L HN 0.318 nan 8.230 nan 0.000 0.451 1193 L N 4.707 125.976 121.223 0.078 0.000 2.446 1193 L HA 0.545 4.885 4.340 -0.000 0.000 0.268 1193 L C -0.931 175.939 176.870 0.000 0.000 0.975 1193 L CA -0.297 54.575 54.840 0.054 0.000 0.848 1193 L CB 1.153 43.224 42.059 0.021 0.000 1.225 1193 L HN 0.732 nan 8.230 nan 0.000 0.410 1194 R N 4.697 125.193 120.500 -0.006 0.000 2.445 1194 R HA 0.811 5.151 4.340 -0.000 0.000 0.308 1194 R C -1.630 174.662 176.300 -0.013 0.000 0.961 1194 R CA -0.544 55.522 56.100 -0.057 0.000 0.862 1194 R CB 1.129 31.316 30.300 -0.189 0.000 1.144 1194 R HN 0.749 nan 8.270 nan 0.000 0.447 1195 L N 3.217 124.430 121.223 -0.017 0.000 2.356 1195 L HA 0.443 4.783 4.340 -0.000 0.000 0.277 1195 L C -0.379 176.488 176.870 -0.005 0.000 0.996 1195 L CA -0.609 54.229 54.840 -0.003 0.000 0.822 1195 L CB 1.973 44.029 42.059 -0.005 0.000 1.256 1195 L HN 0.632 nan 8.230 nan 0.000 0.413 1196 E N 4.317 124.519 120.200 0.004 0.000 2.109 1196 E HA 0.491 4.841 4.350 -0.000 0.000 0.278 1196 E C -1.205 175.395 176.600 -0.000 0.000 0.954 1196 E CA -0.554 55.848 56.400 0.003 0.000 0.779 1196 E CB 1.180 30.888 29.700 0.014 0.000 1.093 1196 E HN 0.490 nan 8.360 nan 0.000 0.401 1197 L N 2.639 123.858 121.223 -0.007 0.000 2.387 1197 L HA 0.379 4.719 4.340 -0.000 0.000 0.266 1197 L C 0.344 177.209 176.870 -0.009 0.000 1.059 1197 L CA -0.880 53.952 54.840 -0.013 0.000 0.801 1197 L CB 0.966 43.010 42.059 -0.027 0.000 1.223 1197 L HN 0.503 nan 8.230 nan 0.000 0.456 1198 D N 0.430 120.823 120.400 -0.011 0.000 2.232 1198 D HA 0.163 4.803 4.640 -0.000 0.000 0.242 1198 D C 0.760 177.054 176.300 -0.010 0.000 1.093 1198 D CA -0.215 53.781 54.000 -0.007 0.000 0.845 1198 D CB 1.665 42.462 40.800 -0.005 0.000 1.124 1198 D HN 0.397 nan 8.370 nan 0.000 0.467 1199 R N 2.715 123.211 120.500 -0.007 0.000 2.082 1199 R HA -0.179 4.161 4.340 -0.000 0.000 0.234 1199 R C 1.980 178.275 176.300 -0.009 0.000 1.136 1199 R CA 1.830 57.925 56.100 -0.008 0.000 0.935 1199 R CB -0.164 30.134 30.300 -0.004 0.000 0.842 1199 R HN 0.572 nan 8.270 nan 0.000 0.430 1200 A N 0.843 123.660 122.820 -0.005 0.000 1.869 1200 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 1200 A C 2.330 179.912 177.584 -0.003 0.000 1.203 1200 A CA 2.236 54.271 52.037 -0.003 0.000 0.638 1200 A CB -1.169 17.831 19.000 0.000 0.000 0.831 1200 A HN 0.547 nan 8.150 nan 0.000 0.450 1201 A N -1.788 121.030 122.820 -0.004 0.000 2.131 1201 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 1201 A C 1.944 179.520 177.584 -0.012 0.000 1.158 1201 A CA 1.832 53.866 52.037 -0.004 0.000 0.665 1201 A CB -0.443 18.552 19.000 -0.008 0.000 0.795 1201 A HN 0.464 nan 8.150 nan 0.000 0.460 1202 M N -0.402 119.187 119.600 -0.018 0.000 2.556 1202 M HA 0.064 4.544 4.480 -0.000 0.000 0.245 1202 M C 0.916 177.200 176.300 -0.027 0.000 1.128 1202 M CA 0.581 55.864 55.300 -0.028 0.000 1.069 1202 M CB -0.814 31.767 32.600 -0.032 0.000 1.469 1202 M HN 0.410 nan 8.290 nan 0.000 0.494 1203 N N -0.032 118.657 118.700 -0.019 0.000 2.482 1203 N HA -0.076 4.664 4.740 -0.000 0.000 0.179 1203 N C 1.351 176.849 175.510 -0.020 0.000 1.039 1203 N CA 0.506 53.543 53.050 -0.021 0.000 0.884 1203 N CB 0.031 38.508 38.487 -0.016 0.000 1.113 1203 N HN 0.333 nan 8.380 nan 0.000 0.440 1204 D N 1.467 121.865 120.400 -0.003 0.000 2.106 1204 D HA -0.130 4.510 4.640 -0.000 0.000 0.191 1204 D C -0.183 176.120 176.300 0.005 0.000 0.997 1204 D CA 1.185 55.195 54.000 0.017 0.000 0.834 1204 D CB 0.263 41.095 40.800 0.054 0.000 0.956 1204 D HN 0.189 nan 8.370 nan 0.000 0.448 1205 K N 1.767 122.169 120.400 0.004 0.000 2.404 1205 K HA 0.144 4.464 4.320 -0.000 0.000 0.257 1205 K C -0.814 175.766 176.600 -0.033 0.000 1.026 1205 K CA -0.687 55.595 56.287 -0.008 0.000 0.951 1205 K CB 1.668 34.170 32.500 0.003 0.000 1.203 1205 K HN -0.018 nan 8.250 nan 0.000 0.446 1206 D N 3.143 123.516 120.400 -0.046 0.000 2.877 1206 D HA -0.092 4.548 4.640 -0.000 0.000 0.220 1206 D C -0.381 175.887 176.300 -0.053 0.000 1.089 1206 D CA 1.263 55.233 54.000 -0.050 0.000 0.811 1206 D CB 0.454 41.221 40.800 -0.056 0.000 1.162 1206 D HN 0.365 nan 8.370 nan 0.000 0.513 1207 L N 1.976 123.166 121.223 -0.055 0.000 2.556 1207 L HA 0.275 4.615 4.340 -0.000 0.000 0.257 1207 L C -0.447 176.380 176.870 -0.072 0.000 0.955 1207 L CA -0.640 54.158 54.840 -0.069 0.000 0.850 1207 L CB 2.597 44.611 42.059 -0.074 0.000 1.398 1207 L HN 0.151 nan 8.230 nan 0.000 0.412 1208 T N 2.241 116.738 114.554 -0.094 0.000 2.841 1208 T HA 0.288 4.638 4.350 -0.000 0.000 0.285 1208 T C 1.061 175.656 174.700 -0.175 0.000 0.991 1208 T CA -0.667 61.375 62.100 -0.097 0.000 0.966 1208 T CB 1.809 70.634 68.868 -0.071 0.000 0.962 1208 T HN 0.429 nan 8.240 nan 0.000 0.438 1209 M N 1.859 121.348 119.600 -0.185 0.000 2.128 1209 M HA -0.151 4.329 4.480 -0.000 0.000 0.253 1209 M C 2.475 178.358 176.300 -0.695 0.000 1.079 1209 M CA 2.175 57.256 55.300 -0.365 0.000 1.082 1209 M CB -1.842 30.626 32.600 -0.220 0.000 1.335 1209 M HN 0.848 nan 8.290 nan 0.000 0.401 1210 G N 0.008 108.552 108.800 -0.425 0.000 2.631 1210 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.219 1210 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.219 1210 G C 1.440 176.066 174.900 -0.457 0.000 1.214 1210 G CA 1.279 46.161 45.100 -0.364 0.000 0.785 1210 G HN 0.586 nan 8.290 nan 0.000 0.596 1211 Q N -0.202 119.432 119.800 -0.276 0.000 1.967 1211 Q HA -0.155 4.185 4.340 -0.000 0.000 0.210 1211 Q C 2.845 178.669 176.000 -0.294 0.000 1.005 1211 Q CA 1.993 57.664 55.803 -0.221 0.000 0.862 1211 Q CB -0.755 27.893 28.738 -0.150 0.000 0.939 1211 Q HN 0.333 nan 8.270 nan 0.000 0.417 1212 V N 0.932 120.658 119.914 -0.313 0.000 2.238 1212 V HA -0.379 3.741 4.120 -0.000 0.000 0.253 1212 V C 2.233 178.116 176.094 -0.352 0.000 1.050 1212 V CA 2.314 64.438 62.300 -0.294 0.000 1.045 1212 V CB -1.673 29.970 31.823 -0.299 0.000 0.670 1212 V HN 0.701 nan 8.190 nan 0.000 0.469 1213 G N -1.033 107.388 108.800 -0.632 0.000 2.459 1213 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 1213 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 1213 G C 1.403 176.067 174.900 -0.394 0.000 1.183 1213 G CA 0.954 45.669 45.100 -0.642 0.000 0.776 1213 G HN 0.542 nan 8.290 nan 0.000 0.552 1214 E N 0.226 120.138 120.200 -0.481 0.000 2.164 1214 E HA -0.241 4.109 4.350 -0.000 0.000 0.206 1214 E C 2.581 179.145 176.600 -0.060 0.000 1.032 1214 E CA 1.340 57.667 56.400 -0.121 0.000 0.832 1214 E CB -0.174 29.469 29.700 -0.094 0.000 0.742 1214 E HN 0.237 nan 8.360 nan 0.000 0.460 1215 R N 0.600 121.035 120.500 -0.107 0.000 2.064 1215 R HA -0.020 4.320 4.340 -0.000 0.000 0.228 1215 R C 2.504 178.803 176.300 -0.002 0.000 1.144 1215 R CA 1.177 57.243 56.100 -0.056 0.000 0.932 1215 R CB -0.878 29.374 30.300 -0.080 0.000 0.833 1215 R HN 0.176 nan 8.270 nan 0.000 0.429 1216 I N 0.685 121.262 120.570 0.012 0.000 2.143 1216 I HA -0.402 3.768 4.170 -0.000 0.000 0.245 1216 I C 2.404 178.674 176.117 0.255 0.000 1.068 1216 I CA 1.951 63.343 61.300 0.153 0.000 1.326 1216 I CB -0.456 37.614 38.000 0.115 0.000 1.028 1216 I HN 0.228 nan 8.210 nan 0.000 0.412 1217 K N 1.146 121.643 120.400 0.161 0.000 2.057 1217 K HA -0.228 4.092 4.320 -0.000 0.000 0.207 1217 K C 2.099 178.797 176.600 0.162 0.000 1.049 1217 K CA 1.688 58.082 56.287 0.178 0.000 0.931 1217 K CB -0.080 32.521 32.500 0.168 0.000 0.714 1217 K HN 0.539 nan 8.250 nan 0.000 0.440 1218 Q N -1.133 118.728 119.800 0.101 0.000 2.444 1218 Q HA 0.022 4.362 4.340 -0.000 0.000 0.206 1218 Q C 0.671 176.683 176.000 0.020 0.000 0.948 1218 Q CA 0.916 56.755 55.803 0.060 0.000 0.946 1218 Q CB 0.490 29.248 28.738 0.033 0.000 1.027 1218 Q HN 0.083 nan 8.270 nan 0.000 0.513 1219 T N -0.398 114.168 114.554 0.020 0.000 3.044 1219 T HA 0.124 4.474 4.350 -0.000 0.000 0.255 1219 T C 0.519 175.002 174.700 -0.362 0.000 1.073 1219 T CA 0.564 62.557 62.100 -0.179 0.000 1.125 1219 T CB 0.016 68.737 68.868 -0.244 0.000 0.908 1219 T HN 0.314 nan 8.240 nan 0.000 0.480 1220 F N 0.562 120.523 119.950 0.018 0.000 2.637 1220 F HA 0.416 4.943 4.527 -0.000 0.000 0.284 1220 F C 1.138 176.956 175.800 0.030 0.000 1.105 1220 F CA -0.461 57.553 58.000 0.024 0.000 1.356 1220 F CB 0.188 39.205 39.000 0.029 0.000 1.096 1220 F HN -0.091 nan 8.300 nan 0.000 0.616 1221 K N -0.153 120.375 120.400 0.213 0.000 4.398 1221 K HA -0.274 4.046 4.320 -0.000 0.000 0.278 1221 K C -0.661 176.021 176.600 0.137 0.000 1.613 1221 K CA 1.037 57.406 56.287 0.137 0.000 0.649 1221 K CB -1.291 31.264 32.500 0.091 0.000 0.845 1221 K HN 0.037 nan 8.250 nan 0.000 0.613 1222 N N 2.804 121.569 118.700 0.108 0.000 3.034 1222 N HA 0.148 4.888 4.740 -0.000 0.000 0.265 1222 N C -1.044 174.523 175.510 0.096 0.000 1.166 1222 N CA 0.639 53.748 53.050 0.098 0.000 1.081 1222 N CB 0.226 38.758 38.487 0.075 0.000 1.378 1222 N HN 0.534 nan 8.380 nan 0.000 0.520 1223 D N 0.593 121.059 120.400 0.109 0.000 4.260 1223 D HA -0.028 4.612 4.640 -0.000 0.000 0.183 1223 D C -0.843 175.504 176.300 0.078 0.000 1.037 1223 D CA -0.372 53.684 54.000 0.094 0.000 0.736 1223 D CB -1.020 39.839 40.800 0.098 0.000 1.647 1223 D HN 0.196 nan 8.370 nan 0.000 0.561 1224 L N 0.937 122.208 121.223 0.081 0.000 2.929 1224 L HA 0.452 4.792 4.340 -0.000 0.000 0.246 1224 L C -2.122 174.791 176.870 0.071 0.000 0.960 1224 L CA -0.695 54.157 54.840 0.019 0.000 1.056 1224 L CB 0.879 42.857 42.059 -0.135 0.000 1.437 1224 L HN 0.024 nan 8.230 nan 0.000 0.514 1225 F N 5.432 125.352 119.950 -0.050 0.000 2.467 1225 F HA 0.691 5.218 4.527 -0.000 0.000 0.362 1225 F C -0.443 175.310 175.800 -0.078 0.000 1.090 1225 F CA 0.137 58.098 58.000 -0.064 0.000 1.202 1225 F CB 0.762 39.714 39.000 -0.081 0.000 1.113 1225 F HN 0.237 nan 8.300 nan 0.000 0.541 1226 V N 7.375 126.865 119.914 -0.708 0.000 2.876 1226 V HA 0.567 4.687 4.120 -0.000 0.000 0.312 1226 V C -0.126 175.514 176.094 -0.756 0.000 1.085 1226 V CA -0.925 61.064 62.300 -0.519 0.000 0.945 1226 V CB 1.935 33.696 31.823 -0.103 0.000 1.017 1226 V HN 0.679 nan 8.190 nan 0.000 0.428 1227 I N 2.004 122.272 120.570 -0.503 0.000 3.174 1227 I HA 0.763 4.933 4.170 -0.000 0.000 0.313 1227 I C -1.504 174.533 176.117 -0.133 0.000 1.155 1227 I CA -0.609 60.330 61.300 -0.601 0.000 0.977 1227 I CB 2.638 40.299 38.000 -0.566 0.000 1.248 1227 I HN 0.911 nan 8.210 nan 0.000 0.453 1228 W N 1.222 122.411 121.300 -0.185 0.000 3.419 1228 W HA 0.649 5.309 4.660 -0.000 0.000 0.298 1228 W C -0.605 175.866 176.519 -0.081 0.000 1.260 1228 W CA -0.885 56.388 57.345 -0.120 0.000 1.199 1228 W CB -0.097 29.301 29.460 -0.104 0.000 1.349 1228 W HN 0.591 nan 8.180 nan 0.000 0.557 1229 S N 0.466 116.285 115.700 0.198 0.000 2.632 1229 S HA 0.427 4.897 4.470 -0.000 0.000 0.254 1229 S C -0.230 174.489 174.600 0.197 0.000 1.291 1229 S CA -0.273 57.999 58.200 0.120 0.000 0.974 1229 S CB 0.685 63.929 63.200 0.073 0.000 1.016 1229 S HN 0.644 nan 8.310 nan 0.000 0.579 1230 E N -0.269 120.001 120.200 0.118 0.000 2.244 1230 E HA 0.244 4.594 4.350 -0.000 0.000 0.266 1230 E C 0.083 176.727 176.600 0.073 0.000 0.914 1230 E CA -0.695 55.775 56.400 0.117 0.000 0.794 1230 E CB 1.244 30.992 29.700 0.081 0.000 1.210 1230 E HN 0.580 nan 8.360 nan 0.000 0.414 1231 D N 1.334 121.771 120.400 0.062 0.000 2.228 1231 D HA -0.206 4.434 4.640 -0.000 0.000 0.203 1231 D C 1.182 177.497 176.300 0.024 0.000 0.988 1231 D CA 0.954 54.972 54.000 0.030 0.000 0.864 1231 D CB 0.207 41.019 40.800 0.020 0.000 0.928 1231 D HN 0.391 nan 8.370 nan 0.000 0.469 1232 N N 1.183 119.900 118.700 0.030 0.000 2.062 1232 N HA -0.103 4.636 4.740 -0.000 0.000 0.191 1232 N C 0.205 175.727 175.510 0.021 0.000 1.042 1232 N CA 0.686 53.749 53.050 0.022 0.000 0.845 1232 N CB 0.042 38.544 38.487 0.024 0.000 1.024 1232 N HN 0.081 nan 8.380 nan 0.000 0.424 1233 D N 0.866 121.282 120.400 0.026 0.000 2.567 1233 D HA -0.149 4.491 4.640 -0.000 0.000 0.228 1233 D C 1.112 177.422 176.300 0.018 0.000 1.185 1233 D CA 0.530 54.544 54.000 0.022 0.000 0.874 1233 D CB 0.455 41.271 40.800 0.027 0.000 1.219 1233 D HN 0.536 nan 8.370 nan 0.000 0.494 1234 E N 0.645 120.854 120.200 0.015 0.000 2.481 1234 E HA -0.042 4.308 4.350 -0.000 0.000 0.195 1234 E C -0.055 176.552 176.600 0.012 0.000 1.047 1234 E CA 0.675 57.083 56.400 0.012 0.000 0.867 1234 E CB 0.342 30.049 29.700 0.011 0.000 0.858 1234 E HN 0.181 nan 8.360 nan 0.000 0.513 1235 K N 1.294 121.702 120.400 0.013 0.000 2.541 1235 K HA 0.350 4.670 4.320 -0.000 0.000 0.250 1235 K C -1.148 175.461 176.600 0.015 0.000 0.950 1235 K CA -0.545 55.750 56.287 0.012 0.000 0.805 1235 K CB 1.997 34.504 32.500 0.011 0.000 1.166 1235 K HN 0.052 nan 8.250 nan 0.000 0.430 1236 L N 5.250 126.480 121.223 0.011 0.000 2.290 1236 L HA 0.528 4.868 4.340 -0.000 0.000 0.284 1236 L C -0.106 176.770 176.870 0.011 0.000 1.078 1236 L CA -0.297 54.551 54.840 0.014 0.000 0.815 1236 L CB 0.331 42.390 42.059 0.001 0.000 1.162 1236 L HN 0.463 nan 8.230 nan 0.000 0.435 1237 I N 4.063 124.648 120.570 0.025 0.000 2.841 1237 I HA 0.402 4.572 4.170 -0.000 0.000 0.298 1237 I C -0.904 175.240 176.117 0.045 0.000 1.304 1237 I CA -0.411 60.898 61.300 0.014 0.000 1.019 1237 I CB 3.031 41.025 38.000 -0.009 0.000 1.282 1237 I HN 0.441 nan 8.210 nan 0.000 0.432 1238 I N 4.859 125.442 120.570 0.023 0.000 2.439 1238 I HA 0.429 4.599 4.170 -0.000 0.000 0.283 1238 I C -0.451 175.662 176.117 -0.006 0.000 1.023 1238 I CA -0.484 60.844 61.300 0.047 0.000 1.100 1238 I CB 1.379 39.397 38.000 0.030 0.000 1.238 1238 I HN 0.409 nan 8.210 nan 0.000 0.445 1239 R N 5.186 125.668 120.500 -0.031 0.000 2.474 1239 R HA 0.804 5.144 4.340 -0.000 0.000 0.295 1239 R C -1.038 175.210 176.300 -0.087 0.000 0.980 1239 R CA -0.561 55.498 56.100 -0.069 0.000 0.934 1239 R CB 1.721 31.967 30.300 -0.089 0.000 1.101 1239 R HN 0.765 nan 8.270 nan 0.000 0.469 1240 C N 0.298 119.562 119.300 -0.061 0.000 3.046 1240 C HA 0.542 5.002 4.460 -0.000 0.000 0.388 1240 C C -0.675 174.311 174.990 -0.008 0.000 1.041 1240 C CA -1.384 57.596 59.018 -0.065 0.000 1.241 1240 C CB 1.383 29.062 27.740 -0.102 0.000 1.638 1240 C HN 0.895 nan 8.230 nan 0.000 0.539 1241 R N 1.563 122.094 120.500 0.051 0.000 2.873 1241 R HA 0.877 5.217 4.340 -0.000 0.000 0.264 1241 R C -0.741 175.592 176.300 0.056 0.000 1.026 1241 R CA -0.704 55.439 56.100 0.072 0.000 1.002 1241 R CB 1.959 32.315 30.300 0.094 0.000 1.174 1241 R HN 0.627 nan 8.270 nan 0.000 0.488 1242 V N 1.466 121.413 119.914 0.055 0.000 2.863 1242 V HA 0.433 4.553 4.120 -0.000 0.000 0.307 1242 V C -0.047 176.080 176.094 0.054 0.000 1.061 1242 V CA -0.499 61.825 62.300 0.040 0.000 1.024 1242 V CB 1.710 33.561 31.823 0.046 0.000 1.049 1242 V HN 0.420 nan 8.190 nan 0.000 0.471 1243 V N 3.657 123.600 119.914 0.049 0.000 2.971 1243 V HA 0.724 4.844 4.120 -0.000 0.000 0.309 1243 V C -0.415 175.702 176.094 0.039 0.000 1.130 1243 V CA -0.825 61.499 62.300 0.041 0.000 0.964 1243 V CB 2.344 34.188 31.823 0.036 0.000 1.029 1243 V HN 0.951 nan 8.190 nan 0.000 0.427 1244 R N 1.553 122.071 120.500 0.030 0.000 2.690 1244 R HA 0.562 4.902 4.340 -0.000 0.000 0.269 1244 R C -2.732 173.578 176.300 0.017 0.000 1.037 1244 R CA -1.542 54.575 56.100 0.028 0.000 0.877 1244 R CB 1.286 31.606 30.300 0.033 0.000 1.255 1244 R HN 0.582 nan 8.270 nan 0.000 0.467 1255 E N 0.332 120.574 120.200 0.070 0.000 2.346 1255 E HA -0.156 4.194 4.350 -0.000 0.000 0.200 1255 E C 0.468 177.093 176.600 0.042 0.000 1.331 1255 E CA 0.740 57.169 56.400 0.049 0.000 0.668 1255 E CB -0.744 28.954 29.700 -0.003 0.000 1.157 1255 E HN 0.768 nan 8.360 nan 0.000 0.393 1256 E N 0.446 120.676 120.200 0.049 0.000 2.122 1256 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 1256 E C 1.139 177.616 176.600 -0.206 0.000 0.977 1256 E CA 0.496 56.902 56.400 0.010 0.000 0.820 1256 E CB 0.140 29.989 29.700 0.248 0.000 0.770 1256 E HN 0.409 nan 8.360 nan 0.000 0.462 1257 D N 0.572 120.690 120.400 -0.471 0.000 2.144 1257 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 1257 D C 1.915 178.077 176.300 -0.231 0.000 0.984 1257 D CA 0.975 54.634 54.000 -0.567 0.000 0.834 1257 D CB -0.182 40.191 40.800 -0.711 0.000 0.955 1257 D HN 0.213 nan 8.370 nan 0.000 0.465 1258 H N 0.660 119.614 119.070 -0.193 0.000 2.389 1258 H HA -0.010 4.546 4.556 -0.000 0.000 0.299 1258 H C 1.987 177.268 175.328 -0.078 0.000 1.081 1258 H CA 0.911 56.893 56.048 -0.110 0.000 1.345 1258 H CB -0.043 29.676 29.762 -0.071 0.000 1.393 1258 H HN 0.142 nan 8.280 nan 0.000 0.520 1259 M N -0.083 119.581 119.600 0.108 0.000 2.248 1259 M HA -0.082 4.398 4.480 -0.000 0.000 0.265 1259 M C 1.245 177.559 176.300 0.024 0.000 1.079 1259 M CA 0.662 56.005 55.300 0.072 0.000 1.150 1259 M CB 0.035 32.663 32.600 0.047 0.000 1.366 1259 M HN 0.169 nan 8.290 nan 0.000 0.433 1260 L N 1.242 122.450 121.223 -0.025 0.000 2.855 1260 L HA 0.024 4.364 4.340 -0.000 0.000 0.257 1260 L C 1.033 177.876 176.870 -0.046 0.000 1.206 1260 L CA 1.198 56.016 54.840 -0.036 0.000 1.042 1260 L CB -1.035 41.000 42.059 -0.040 0.000 1.321 1260 L HN 0.261 nan 8.230 nan 0.000 0.417 1261 K N -1.739 118.641 120.400 -0.033 0.000 2.544 1261 K HA 0.158 4.477 4.320 -0.000 0.000 0.213 1261 K C 1.639 178.237 176.600 -0.004 0.000 1.392 1261 K CA 0.012 56.276 56.287 -0.040 0.000 0.980 1261 K CB 0.499 32.944 32.500 -0.092 0.000 1.177 1261 K HN 0.195 nan 8.250 nan 0.000 0.570 1262 K N 0.468 120.883 120.400 0.026 0.000 2.296 1262 K HA 0.114 4.434 4.320 -0.000 0.000 0.200 1262 K C 1.491 178.136 176.600 0.075 0.000 1.048 1262 K CA 0.802 57.121 56.287 0.053 0.000 0.966 1262 K CB 0.300 32.845 32.500 0.075 0.000 0.754 1262 K HN 0.122 nan 8.250 nan 0.000 0.466 1263 I N 0.764 121.374 120.570 0.066 0.000 3.226 1263 I HA -0.118 4.052 4.170 -0.000 0.000 0.277 1263 I C 2.256 178.414 176.117 0.068 0.000 1.243 1263 I CA 0.473 61.829 61.300 0.093 0.000 1.459 1263 I CB 0.075 38.067 38.000 -0.013 0.000 1.093 1263 I HN 0.130 nan 8.210 nan 0.000 0.453 1264 E N 1.990 122.210 120.200 0.033 0.000 2.077 1264 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 1264 E C 1.722 178.348 176.600 0.043 0.000 0.989 1264 E CA 1.802 58.216 56.400 0.025 0.000 0.800 1264 E CB -0.088 29.616 29.700 0.006 0.000 0.746 1264 E HN 0.378 nan 8.360 nan 0.000 0.452 1265 N N -0.474 118.255 118.700 0.048 0.000 2.220 1265 N HA -0.043 4.696 4.740 -0.000 0.000 0.182 1265 N C 1.665 177.216 175.510 0.070 0.000 1.023 1265 N CA 1.687 54.766 53.050 0.048 0.000 0.856 1265 N CB -0.670 37.838 38.487 0.035 0.000 0.997 1265 N HN 0.201 nan 8.380 nan 0.000 0.429 1266 T N 1.553 116.166 114.554 0.098 0.000 2.918 1266 T HA -0.060 4.290 4.350 -0.000 0.000 0.271 1266 T C 1.776 176.558 174.700 0.138 0.000 1.104 1266 T CA 0.882 63.048 62.100 0.111 0.000 1.114 1266 T CB -0.008 68.958 68.868 0.163 0.000 0.855 1266 T HN 0.219 nan 8.240 nan 0.000 0.518 1267 M N -0.333 119.367 119.600 0.166 0.000 2.486 1267 M HA 0.227 4.707 4.480 -0.000 0.000 0.264 1267 M C 1.623 177.969 176.300 0.076 0.000 1.125 1267 M CA 0.868 56.266 55.300 0.164 0.000 1.144 1267 M CB 0.076 32.766 32.600 0.151 0.000 1.353 1267 M HN 0.258 nan 8.290 nan 0.000 0.466 1268 L N -1.059 120.196 121.223 0.054 0.000 2.416 1268 L HA -0.005 4.335 4.340 -0.000 0.000 0.216 1268 L C 1.252 178.135 176.870 0.022 0.000 1.098 1268 L CA 0.732 55.589 54.840 0.029 0.000 0.840 1268 L CB 0.080 42.154 42.059 0.024 0.000 0.981 1268 L HN 0.267 nan 8.230 nan 0.000 0.462 1269 E N -1.449 118.768 120.200 0.028 0.000 2.568 1269 E HA 0.097 4.447 4.350 -0.000 0.000 0.220 1269 E C 0.643 177.261 176.600 0.030 0.000 0.869 1269 E CA -0.141 56.277 56.400 0.029 0.000 1.268 1269 E CB 0.564 30.281 29.700 0.029 0.000 1.252 1269 E HN 0.218 nan 8.360 nan 0.000 0.606 1270 N N 0.730 119.441 118.700 0.018 0.000 2.235 1270 N HA 0.211 4.951 4.740 -0.000 0.000 0.209 1270 N C -0.479 175.019 175.510 -0.020 0.000 1.122 1270 N CA 0.286 53.337 53.050 0.000 0.000 0.845 1270 N CB 1.257 39.734 38.487 -0.018 0.000 1.004 1270 N HN 0.140 nan 8.380 nan 0.000 0.499 1271 I N 0.749 121.312 120.570 -0.012 0.000 2.436 1271 I HA 0.192 4.362 4.170 -0.000 0.000 0.289 1271 I C -0.608 175.482 176.117 -0.045 0.000 1.010 1271 I CA -0.221 61.058 61.300 -0.034 0.000 1.098 1271 I CB 1.780 39.766 38.000 -0.023 0.000 1.266 1271 I HN -0.208 nan 8.210 nan 0.000 0.434 1272 T N 6.970 121.494 114.554 -0.050 0.000 2.829 1272 T HA 0.389 4.739 4.350 -0.000 0.000 0.280 1272 T C 0.536 175.176 174.700 -0.101 0.000 0.999 1272 T CA -0.469 61.570 62.100 -0.103 0.000 0.983 1272 T CB 2.194 71.065 68.868 0.005 0.000 0.968 1272 T HN 0.275 nan 8.240 nan 0.000 0.446 1273 L N 1.589 122.727 121.223 -0.141 0.000 2.194 1273 L HA 0.441 4.781 4.340 -0.000 0.000 0.197 1273 L C 1.139 177.958 176.870 -0.086 0.000 1.106 1273 L CA 1.123 55.898 54.840 -0.108 0.000 0.785 1273 L CB -0.223 41.766 42.059 -0.117 0.000 0.960 1273 L HN 0.417 nan 8.230 nan 0.000 0.465 1274 R N -1.260 119.185 120.500 -0.092 0.000 2.750 1274 R HA 0.574 4.914 4.340 -0.000 0.000 0.281 1274 R C -0.633 175.652 176.300 -0.024 0.000 0.972 1274 R CA 0.010 56.079 56.100 -0.052 0.000 0.912 1274 R CB 1.803 32.073 30.300 -0.049 0.000 1.187 1274 R HN 0.342 nan 8.270 nan 0.000 0.464 1275 G N 0.355 109.167 108.800 0.020 0.000 2.498 1275 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.651 1275 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.651 1275 G C -1.571 173.402 174.900 0.121 0.000 1.284 1275 G CA -0.733 44.412 45.100 0.075 0.000 0.950 1275 G HN 0.481 nan 8.290 nan 0.000 0.511 1276 V N 0.610 120.597 119.914 0.121 0.000 2.604 1276 V HA 0.618 4.738 4.120 -0.000 0.000 0.305 1276 V C 0.769 176.854 176.094 -0.015 0.000 1.043 1276 V CA -0.146 62.191 62.300 0.063 0.000 0.888 1276 V CB 1.421 33.257 31.823 0.022 0.000 0.995 1276 V HN 1.278 nan 8.190 nan 0.000 0.429 1277 E N 4.055 124.175 120.200 -0.133 0.000 2.461 1277 E HA -0.029 4.321 4.350 -0.000 0.000 0.263 1277 E C 0.553 176.995 176.600 -0.263 0.000 1.143 1277 E CA 0.361 56.528 56.400 -0.389 0.000 0.994 1277 E CB 0.073 29.618 29.700 -0.257 0.000 0.973 1277 E HN 0.653 nan 8.360 nan 0.000 0.457 1278 N N -0.455 118.066 118.700 -0.299 0.000 2.624 1278 N HA -0.258 4.482 4.740 -0.000 0.000 0.222 1278 N C 0.022 175.472 175.510 -0.099 0.000 0.908 1278 N CA 1.980 54.937 53.050 -0.155 0.000 1.919 1278 N CB -1.268 37.160 38.487 -0.098 0.000 0.893 1278 N HN 0.612 nan 8.380 nan 0.000 0.549 1279 I N 3.057 123.579 120.570 -0.081 0.000 2.349 1279 I HA -0.013 4.157 4.170 -0.000 0.000 0.302 1279 I C 1.387 177.515 176.117 0.019 0.000 1.180 1279 I CA 0.422 61.710 61.300 -0.021 0.000 1.405 1279 I CB -0.048 37.950 38.000 -0.002 0.000 1.474 1279 I HN 0.155 nan 8.210 nan 0.000 0.632 1280 E N 5.744 125.953 120.200 0.014 0.000 4.213 1280 E HA 0.192 4.542 4.350 -0.000 0.000 0.562 1280 E C 0.345 176.961 176.600 0.026 0.000 0.538 1280 E CA -0.711 55.711 56.400 0.037 0.000 3.571 1280 E CB 0.286 29.996 29.700 0.018 0.000 2.299 1280 E HN 0.457 nan 8.360 nan 0.000 0.416 1281 R N -0.082 120.416 120.500 -0.004 0.000 2.445 1281 R HA -0.084 4.255 4.340 -0.000 0.000 0.276 1281 R C -0.875 175.435 176.300 0.017 0.000 0.960 1281 R CA 0.219 56.300 56.100 -0.030 0.000 1.087 1281 R CB -0.241 30.023 30.300 -0.061 0.000 0.848 1281 R HN 0.107 nan 8.270 nan 0.000 0.429 1282 V N 3.018 122.970 119.914 0.063 0.000 2.610 1282 V HA 0.273 4.393 4.120 -0.000 0.000 0.298 1282 V C -0.346 175.847 176.094 0.165 0.000 1.067 1282 V CA -0.795 61.562 62.300 0.095 0.000 0.894 1282 V CB 1.979 33.858 31.823 0.094 0.000 1.015 1282 V HN 0.517 nan 8.190 nan 0.000 0.432 1283 V N 4.680 124.659 119.914 0.109 0.000 2.919 1283 V HA 0.598 4.718 4.120 -0.000 0.000 0.316 1283 V C 0.000 176.141 176.094 0.078 0.000 1.077 1283 V CA -0.820 61.557 62.300 0.130 0.000 0.977 1283 V CB 2.256 34.140 31.823 0.102 0.000 1.039 1283 V HN 0.794 nan 8.190 nan 0.000 0.441 1284 M N 3.317 122.982 119.600 0.109 0.000 2.423 1284 M HA 0.648 5.128 4.480 -0.000 0.000 0.335 1284 M C -0.861 175.524 176.300 0.140 0.000 1.177 1284 M CA -0.274 55.124 55.300 0.163 0.000 1.038 1284 M CB 1.627 34.384 32.600 0.262 0.000 1.641 1284 M HN 0.394 nan 8.290 nan 0.000 0.455 1285 M N 1.985 121.606 119.600 0.035 0.000 2.365 1285 M HA 0.305 4.785 4.480 -0.000 0.000 0.287 1285 M C -1.302 174.694 176.300 -0.507 0.000 1.154 1285 M CA -0.559 54.600 55.300 -0.235 0.000 0.941 1285 M CB 2.425 34.812 32.600 -0.355 0.000 1.704 1285 M HN 0.557 nan 8.290 nan 0.000 0.479 1286 K N 3.132 123.154 120.400 -0.630 0.000 2.244 1286 K HA 0.396 4.716 4.320 -0.000 0.000 0.263 1286 K C -1.222 175.261 176.600 -0.195 0.000 1.103 1286 K CA -0.039 55.809 56.287 -0.732 0.000 0.966 1286 K CB 0.460 32.372 32.500 -0.980 0.000 1.429 1286 K HN 0.587 nan 8.250 nan 0.000 0.434 1287 Y N 1.268 121.460 120.300 -0.181 0.000 2.307 1287 Y HA 0.073 4.623 4.550 -0.000 0.000 0.324 1287 Y C 0.687 176.561 175.900 -0.043 0.000 1.238 1287 Y CA -1.199 56.863 58.100 -0.064 0.000 1.280 1287 Y CB 1.000 39.478 38.460 0.029 0.000 1.248 1287 Y HN 0.392 nan 8.280 nan 0.000 0.508 1288 D N 2.993 123.473 120.400 0.134 0.000 2.277 1288 D HA 0.160 4.800 4.640 -0.000 0.000 0.249 1288 D C -0.397 175.959 176.300 0.094 0.000 1.134 1288 D CA -0.020 54.024 54.000 0.073 0.000 0.863 1288 D CB 1.309 42.129 40.800 0.034 0.000 1.143 1288 D HN 0.373 nan 8.370 nan 0.000 0.458 1289 R N 2.705 123.263 120.500 0.097 0.000 2.500 1289 R HA 0.175 4.515 4.340 -0.000 0.000 0.299 1289 R C -0.622 175.735 176.300 0.094 0.000 1.038 1289 R CA -0.670 55.491 56.100 0.103 0.000 0.903 1289 R CB 1.111 31.485 30.300 0.122 0.000 1.177 1289 R HN 0.240 nan 8.270 nan 0.000 0.455 1290 K N 2.233 122.702 120.400 0.114 0.000 2.295 1290 K HA 0.420 4.740 4.320 -0.000 0.000 0.270 1290 K C -0.630 176.079 176.600 0.183 0.000 1.011 1290 K CA -0.401 55.986 56.287 0.168 0.000 0.953 1290 K CB 1.623 34.253 32.500 0.217 0.000 0.956 1290 K HN 0.216 nan 8.250 nan 0.000 0.477 1291 V N 2.725 122.707 119.914 0.114 0.000 3.264 1291 V HA 0.172 4.292 4.120 -0.000 0.000 0.294 1291 V C -2.641 173.241 176.094 -0.352 0.000 1.429 1291 V CA -1.917 60.334 62.300 -0.082 0.000 1.053 1291 V CB 2.484 34.281 31.823 -0.043 0.000 1.128 1291 V HN 0.600 nan 8.190 nan 0.000 0.452 1292 P HA 0.114 nan 4.420 nan 0.000 0.263 1292 P C -0.344 176.807 177.300 -0.248 0.000 1.247 1292 P CA 0.663 63.466 63.100 -0.495 0.000 0.876 1292 P CB 0.311 31.784 31.700 -0.379 0.000 0.928 1293 S N 5.728 121.310 115.700 -0.196 0.000 2.579 1293 S HA 0.129 4.599 4.470 -0.000 0.000 0.275 1293 S C -0.730 173.817 174.600 -0.089 0.000 1.345 1293 S CA -1.249 56.892 58.200 -0.099 0.000 1.031 1293 S CB -0.021 63.146 63.200 -0.056 0.000 0.892 1293 S HN 0.304 nan 8.310 nan 0.000 0.529 1294 P HA -0.114 nan 4.420 nan 0.000 0.216 1294 P C 1.481 178.757 177.300 -0.041 0.000 1.150 1294 P CA 1.603 64.673 63.100 -0.049 0.000 0.837 1294 P CB -0.513 31.168 31.700 -0.032 0.000 0.786 1295 T N -2.563 111.974 114.554 -0.028 0.000 3.025 1295 T HA 0.082 4.432 4.350 -0.000 0.000 0.270 1295 T C 1.473 176.164 174.700 -0.015 0.000 1.126 1295 T CA 2.003 64.095 62.100 -0.013 0.000 1.105 1295 T CB -0.838 68.030 68.868 0.000 0.000 0.884 1295 T HN 0.350 nan 8.240 nan 0.000 0.522 1296 G N 0.252 109.028 108.800 -0.041 0.000 2.316 1296 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.203 1296 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.203 1296 G C -0.120 174.761 174.900 -0.032 0.000 0.999 1296 G CA -0.021 45.052 45.100 -0.046 0.000 0.649 1296 G HN 0.662 nan 8.290 nan 0.000 0.489 1297 E N -0.343 119.854 120.200 -0.006 0.000 2.391 1297 E HA 0.534 4.884 4.350 -0.000 0.000 0.255 1297 E C -0.761 175.848 176.600 0.015 0.000 1.187 1297 E CA -0.490 55.937 56.400 0.046 0.000 0.941 1297 E CB 0.843 30.573 29.700 0.050 0.000 1.010 1297 E HN 0.281 nan 8.360 nan 0.000 0.458 1298 Y N 0.310 120.615 120.300 0.009 0.000 2.328 1298 Y HA 0.366 4.916 4.550 -0.000 0.000 0.337 1298 Y C -0.404 175.503 175.900 0.012 0.000 1.008 1298 Y CA -0.385 57.720 58.100 0.009 0.000 1.129 1298 Y CB 1.136 39.603 38.460 0.013 0.000 1.185 1298 Y HN 0.176 nan 8.280 nan 0.000 0.476 1299 V N 3.253 123.230 119.914 0.105 0.000 3.130 1299 V HA 0.338 4.458 4.120 -0.000 0.000 0.310 1299 V C -0.948 175.190 176.094 0.074 0.000 1.158 1299 V CA -1.962 60.387 62.300 0.082 0.000 1.029 1299 V CB 2.320 34.167 31.823 0.040 0.000 1.057 1299 V HN 0.521 nan 8.190 nan 0.000 0.436 1300 K N 2.199 122.636 120.400 0.063 0.000 2.351 1300 K HA 0.198 4.518 4.320 -0.000 0.000 0.287 1300 K C -0.088 176.538 176.600 0.044 0.000 1.068 1300 K CA 0.350 56.670 56.287 0.054 0.000 0.998 1300 K CB 0.403 32.929 32.500 0.043 0.000 0.968 1300 K HN 0.663 nan 8.250 nan 0.000 0.464 1301 E N 5.280 125.508 120.200 0.047 0.000 3.303 1301 E HA 0.138 4.488 4.350 -0.000 0.000 0.215 1301 E C -2.260 174.371 176.600 0.051 0.000 1.181 1301 E CA -2.176 54.249 56.400 0.042 0.000 0.998 1301 E CB 0.611 30.331 29.700 0.032 0.000 1.312 1301 E HN 0.357 nan 8.360 nan 0.000 0.412 1302 P HA -0.094 nan 4.420 nan 0.000 0.269 1302 P C -0.775 176.546 177.300 0.035 0.000 1.205 1302 P CA 0.526 63.639 63.100 0.022 0.000 0.780 1302 P CB 0.618 32.300 31.700 -0.029 0.000 0.858 1303 E N -0.023 120.190 120.200 0.023 0.000 2.366 1303 E HA 0.412 4.762 4.350 -0.000 0.000 0.278 1303 E C -1.522 175.076 176.600 -0.004 0.000 0.923 1303 E CA -0.973 55.477 56.400 0.083 0.000 0.761 1303 E CB 0.599 30.394 29.700 0.158 0.000 1.231 1303 E HN 0.250 nan 8.360 nan 0.000 0.443 1304 W N 1.738 123.053 121.300 0.025 0.000 2.261 1304 W HA 0.509 5.169 4.660 -0.000 0.000 0.323 1304 W C -0.516 175.953 176.519 -0.084 0.000 1.243 1304 W CA -0.044 57.276 57.345 -0.043 0.000 1.210 1304 W CB 1.422 30.864 29.460 -0.030 0.000 1.149 1304 W HN 0.317 nan 8.180 nan 0.000 0.562 1305 V N 3.950 123.859 119.914 -0.008 0.000 3.012 1305 V HA 0.388 4.508 4.120 -0.000 0.000 0.307 1305 V C -0.398 175.590 176.094 -0.176 0.000 1.166 1305 V CA -1.349 60.853 62.300 -0.163 0.000 0.974 1305 V CB 1.790 33.347 31.823 -0.443 0.000 1.040 1305 V HN 0.276 nan 8.190 nan 0.000 0.428 1306 L N 2.645 123.786 121.223 -0.137 0.000 2.312 1306 L HA 0.606 4.946 4.340 -0.000 0.000 0.281 1306 L C 0.006 176.809 176.870 -0.112 0.000 1.070 1306 L CA -0.344 54.445 54.840 -0.085 0.000 0.805 1306 L CB 1.084 43.121 42.059 -0.036 0.000 1.174 1306 L HN 0.635 nan 8.230 nan 0.000 0.434 1307 E N 1.587 121.749 120.200 -0.062 0.000 2.176 1307 E HA 0.310 4.660 4.350 -0.000 0.000 0.267 1307 E C -0.550 176.046 176.600 -0.007 0.000 0.893 1307 E CA -0.385 55.995 56.400 -0.033 0.000 0.761 1307 E CB 2.714 32.412 29.700 -0.003 0.000 1.133 1307 E HN 0.523 nan 8.360 nan 0.000 0.409 1308 T N 0.557 115.105 114.554 -0.010 0.000 2.924 1308 T HA 0.125 4.475 4.350 -0.000 0.000 0.301 1308 T C -0.019 174.680 174.700 -0.002 0.000 1.120 1308 T CA -0.061 62.038 62.100 -0.002 0.000 0.940 1308 T CB 0.510 69.374 68.868 -0.007 0.000 1.591 1308 T HN 0.463 nan 8.240 nan 0.000 0.578 1309 D N -0.870 119.528 120.400 -0.004 0.000 2.825 1309 D HA 0.267 4.907 4.640 -0.000 0.000 0.294 1309 D C -0.182 176.112 176.300 -0.011 0.000 1.651 1309 D CA -0.005 53.990 54.000 -0.007 0.000 0.847 1309 D CB 0.310 41.106 40.800 -0.007 0.000 1.389 1309 D HN 0.715 nan 8.370 nan 0.000 0.426 1310 G N -0.428 108.363 108.800 -0.013 0.000 2.608 1310 G HA2 0.512 4.472 3.960 -0.000 0.000 0.291 1310 G HA3 0.512 4.472 3.960 -0.000 0.000 0.291 1310 G C -1.681 173.207 174.900 -0.020 0.000 1.425 1310 G CA -0.348 44.740 45.100 -0.020 0.000 0.787 1310 G HN -0.058 nan 8.290 nan 0.000 0.484 1311 V N 1.585 121.485 119.914 -0.023 0.000 2.509 1311 V HA 0.523 4.643 4.120 -0.000 0.000 0.289 1311 V C -0.846 175.237 176.094 -0.019 0.000 1.026 1311 V CA -0.954 61.334 62.300 -0.019 0.000 0.872 1311 V CB 1.640 33.453 31.823 -0.015 0.000 1.017 1311 V HN 0.738 nan 8.190 nan 0.000 0.436 1312 N N 4.272 122.964 118.700 -0.014 0.000 2.707 1312 N HA 0.196 4.936 4.740 -0.000 0.000 0.249 1312 N C 0.321 175.833 175.510 0.002 0.000 1.299 1312 N CA -0.359 52.684 53.050 -0.012 0.000 0.769 1312 N CB 1.626 40.099 38.487 -0.024 0.000 1.236 1312 N HN 0.535 nan 8.380 nan 0.000 0.524 1313 L N 2.785 124.015 121.223 0.011 0.000 1.943 1313 L HA -0.136 4.204 4.340 -0.000 0.000 0.215 1313 L C 2.388 179.275 176.870 0.027 0.000 1.074 1313 L CA 2.438 57.294 54.840 0.027 0.000 0.759 1313 L CB -1.069 41.013 42.059 0.038 0.000 0.888 1313 L HN 0.625 nan 8.230 nan 0.000 0.433 1314 S N -1.560 114.153 115.700 0.023 0.000 2.464 1314 S HA -0.294 4.175 4.470 -0.000 0.000 0.255 1314 S C 1.533 176.144 174.600 0.019 0.000 1.027 1314 S CA 1.965 60.178 58.200 0.021 0.000 0.994 1314 S CB -0.677 62.532 63.200 0.014 0.000 0.769 1314 S HN 0.744 nan 8.310 nan 0.000 0.502 1315 E N -0.073 120.136 120.200 0.016 0.000 2.354 1315 E HA 0.153 4.503 4.350 -0.000 0.000 0.203 1315 E C 1.692 178.304 176.600 0.019 0.000 0.841 1315 E CA 0.554 56.963 56.400 0.014 0.000 1.046 1315 E CB 0.144 29.848 29.700 0.007 0.000 1.040 1315 E HN 0.378 nan 8.360 nan 0.000 0.504 1316 V N 1.861 121.788 119.914 0.020 0.000 3.186 1316 V HA -0.171 3.949 4.120 -0.000 0.000 0.270 1316 V C 2.093 178.209 176.094 0.035 0.000 1.149 1316 V CA 1.218 63.533 62.300 0.025 0.000 1.160 1316 V CB -0.476 31.361 31.823 0.024 0.000 0.758 1316 V HN 0.290 nan 8.190 nan 0.000 0.516 1317 M N 1.094 120.717 119.600 0.039 0.000 2.216 1317 M HA -0.089 4.391 4.480 -0.000 0.000 0.264 1317 M C 2.230 178.555 176.300 0.042 0.000 1.080 1317 M CA 1.945 57.274 55.300 0.049 0.000 1.153 1317 M CB -0.131 32.500 32.600 0.051 0.000 1.356 1317 M HN 0.538 nan 8.290 nan 0.000 0.432 1318 T N -0.787 113.786 114.554 0.033 0.000 3.427 1318 T HA 0.111 4.461 4.350 -0.000 0.000 0.256 1318 T C 0.212 174.927 174.700 0.025 0.000 1.172 1318 T CA -0.206 61.910 62.100 0.028 0.000 1.018 1318 T CB -1.178 67.703 68.868 0.022 0.000 0.981 1318 T HN 0.077 nan 8.240 nan 0.000 0.555 1319 V N 3.930 123.861 119.914 0.028 0.000 2.567 1319 V HA 0.394 4.514 4.120 -0.000 0.000 0.289 1319 V C -1.835 174.275 176.094 0.026 0.000 1.049 1319 V CA -2.145 60.169 62.300 0.023 0.000 0.969 1319 V CB 1.349 33.186 31.823 0.022 0.000 0.995 1319 V HN 0.391 nan 8.190 nan 0.000 0.471 1320 P HA 0.341 nan 4.420 nan 0.000 0.281 1320 P C 0.584 177.890 177.300 0.011 0.000 1.252 1320 P CA 0.607 63.717 63.100 0.017 0.000 0.778 1320 P CB 1.390 33.094 31.700 0.006 0.000 0.895 1321 G N 3.022 111.838 108.800 0.027 0.000 2.316 1321 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.203 1321 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.203 1321 G C 0.115 175.055 174.900 0.067 0.000 0.999 1321 G CA 0.122 45.235 45.100 0.022 0.000 0.649 1321 G HN 0.703 nan 8.290 nan 0.000 0.489 1322 I N -1.402 119.210 120.570 0.071 0.000 2.822 1322 I HA 0.770 4.940 4.170 -0.000 0.000 0.312 1322 I C -0.885 175.297 176.117 0.108 0.000 1.011 1322 I CA -1.055 60.304 61.300 0.098 0.000 1.105 1322 I CB 1.902 39.955 38.000 0.088 0.000 1.291 1322 I HN -0.074 nan 8.210 nan 0.000 0.474 1323 D N 5.175 125.657 120.400 0.136 0.000 2.479 1323 D HA 0.257 4.897 4.640 -0.000 0.000 0.218 1323 D C -1.782 174.587 176.300 0.115 0.000 1.131 1323 D CA -2.094 51.975 54.000 0.116 0.000 0.916 1323 D CB 1.082 41.952 40.800 0.118 0.000 1.022 1323 D HN 0.401 nan 8.370 nan 0.000 0.515 1324 P HA -0.025 nan 4.420 nan 0.000 0.261 1324 P C 0.628 177.973 177.300 0.076 0.000 1.297 1324 P CA 0.386 63.536 63.100 0.083 0.000 0.757 1324 P CB 0.295 32.033 31.700 0.063 0.000 1.149 1325 T N -0.892 113.705 114.554 0.072 0.000 2.975 1325 T HA 0.208 4.558 4.350 -0.000 0.000 0.257 1325 T C 1.376 176.103 174.700 0.045 0.000 1.003 1325 T CA 0.084 62.212 62.100 0.046 0.000 0.932 1325 T CB 0.283 69.162 68.868 0.017 0.000 1.087 1325 T HN 0.216 nan 8.240 nan 0.000 0.512 1326 R N 0.134 120.685 120.500 0.085 0.000 2.509 1326 R HA 0.439 4.779 4.340 -0.000 0.000 0.297 1326 R C 0.377 176.874 176.300 0.328 0.000 0.951 1326 R CA -0.238 55.907 56.100 0.076 0.000 1.103 1326 R CB 0.781 30.987 30.300 -0.157 0.000 1.283 1326 R HN 0.293 nan 8.270 nan 0.000 0.534 1327 I N 1.660 122.416 120.570 0.308 0.000 2.710 1327 I HA -0.064 4.106 4.170 -0.000 0.000 0.286 1327 I C -0.977 175.361 176.117 0.369 0.000 1.181 1327 I CA 0.299 61.794 61.300 0.325 0.000 1.430 1327 I CB 0.335 38.456 38.000 0.201 0.000 1.367 1327 I HN 0.018 nan 8.210 nan 0.000 0.577 1328 Y N 5.991 126.405 120.300 0.189 0.000 2.433 1328 Y HA 0.423 4.973 4.550 -0.000 0.000 0.337 1328 Y C -0.983 174.987 175.900 0.117 0.000 1.026 1328 Y CA -0.871 57.325 58.100 0.159 0.000 1.037 1328 Y CB 1.805 40.385 38.460 0.201 0.000 1.245 1328 Y HN 0.490 nan 8.280 nan 0.000 0.443 1329 T N 5.662 120.027 114.554 -0.316 0.000 2.807 1329 T HA 0.175 4.525 4.350 -0.000 0.000 0.279 1329 T C 0.733 174.996 174.700 -0.728 0.000 0.993 1329 T CA -0.620 61.252 62.100 -0.380 0.000 0.970 1329 T CB 0.734 69.542 68.868 -0.099 0.000 0.950 1329 T HN 0.736 nan 8.240 nan 0.000 0.441 1330 N N 1.321 119.669 118.700 -0.587 0.000 2.459 1330 N HA -0.061 4.679 4.740 -0.000 0.000 0.181 1330 N C 0.937 176.428 175.510 -0.032 0.000 1.046 1330 N CA 0.181 52.987 53.050 -0.407 0.000 0.904 1330 N CB 0.127 38.492 38.487 -0.204 0.000 0.964 1330 N HN 0.356 nan 8.380 nan 0.000 0.444 1331 S N 0.660 116.381 115.700 0.034 0.000 3.517 1331 S HA 0.102 4.572 4.470 -0.000 0.000 0.284 1331 S C 0.862 175.659 174.600 0.330 0.000 1.260 1331 S CA -0.940 57.396 58.200 0.227 0.000 0.975 1331 S CB -1.371 61.882 63.200 0.088 0.000 1.540 1331 S HN 0.393 nan 8.310 nan 0.000 0.506 1332 F N 2.615 122.595 119.950 0.050 0.000 2.115 1332 F HA -0.178 4.349 4.527 -0.000 0.000 0.300 1332 F C 1.926 177.768 175.800 0.070 0.000 1.092 1332 F CA 0.519 58.577 58.000 0.097 0.000 1.245 1332 F CB -0.630 38.440 39.000 0.117 0.000 0.995 1332 F HN 0.399 nan 8.300 nan 0.000 0.481 1333 I N 1.826 122.156 120.570 -0.401 0.000 2.121 1333 I HA -0.359 3.811 4.170 -0.000 0.000 0.243 1333 I C 2.226 178.282 176.117 -0.103 0.000 1.047 1333 I CA 2.082 63.161 61.300 -0.368 0.000 1.308 1333 I CB -0.962 36.818 38.000 -0.366 0.000 1.015 1333 I HN 0.334 nan 8.210 nan 0.000 0.410 1334 D N 0.415 120.799 120.400 -0.028 0.000 2.081 1334 D HA -0.143 4.497 4.640 -0.000 0.000 0.194 1334 D C 2.211 178.543 176.300 0.053 0.000 0.986 1334 D CA 1.153 55.160 54.000 0.012 0.000 0.837 1334 D CB -0.315 40.498 40.800 0.022 0.000 0.985 1334 D HN 0.318 nan 8.370 nan 0.000 0.448 1335 I N 1.237 121.871 120.570 0.107 0.000 2.576 1335 I HA -0.278 3.892 4.170 -0.000 0.000 0.263 1335 I C 2.343 178.535 176.117 0.125 0.000 1.183 1335 I CA 0.715 62.103 61.300 0.148 0.000 1.432 1335 I CB -0.152 37.995 38.000 0.245 0.000 1.100 1335 I HN 0.135 nan 8.210 nan 0.000 0.452 1336 M N 0.327 119.984 119.600 0.096 0.000 2.357 1336 M HA -0.097 4.383 4.480 -0.000 0.000 0.266 1336 M C 1.809 178.135 176.300 0.044 0.000 1.095 1336 M CA 1.650 56.994 55.300 0.073 0.000 1.156 1336 M CB -0.137 32.493 32.600 0.049 0.000 1.365 1336 M HN 0.184 nan 8.290 nan 0.000 0.447 1337 E N -0.474 119.741 120.200 0.026 0.000 2.285 1337 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 1337 E C 1.870 178.485 176.600 0.026 0.000 0.997 1337 E CA 0.700 57.110 56.400 0.016 0.000 0.845 1337 E CB 0.325 30.025 29.700 0.000 0.000 0.782 1337 E HN 0.355 nan 8.360 nan 0.000 0.491 1338 V N 0.658 120.595 119.914 0.039 0.000 2.502 1338 V HA -0.075 4.045 4.120 -0.000 0.000 0.234 1338 V C 2.037 178.160 176.094 0.048 0.000 1.072 1338 V CA 0.667 62.992 62.300 0.042 0.000 1.094 1338 V CB -0.291 31.562 31.823 0.050 0.000 0.761 1338 V HN 0.165 nan 8.190 nan 0.000 0.489 1339 L N 0.621 121.881 121.223 0.063 0.000 2.313 1339 L HA 0.365 4.705 4.340 -0.000 0.000 0.214 1339 L C 1.036 177.939 176.870 0.055 0.000 1.119 1339 L CA 1.010 55.888 54.840 0.063 0.000 0.809 1339 L CB -0.563 41.545 42.059 0.082 0.000 0.933 1339 L HN 0.621 nan 8.230 nan 0.000 0.449 1340 G N 0.041 108.875 108.800 0.057 0.000 3.434 1340 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.686 1340 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.686 1340 G C 0.356 175.292 174.900 0.060 0.000 1.099 1340 G CA -0.191 44.940 45.100 0.051 0.000 0.931 1340 G HN 0.099 nan 8.290 nan 0.000 0.520 1341 I N 0.509 121.115 120.570 0.060 0.000 3.314 1341 I HA -0.409 3.761 4.170 -0.000 0.000 0.192 1341 I C 2.579 178.742 176.117 0.077 0.000 0.802 1341 I CA 2.774 64.116 61.300 0.070 0.000 1.099 1341 I CB 0.065 38.101 38.000 0.060 0.000 0.859 1341 I HN 0.795 nan 8.210 nan 0.000 0.328 1342 E N 0.388 120.626 120.200 0.063 0.000 2.136 1342 E HA -0.305 4.045 4.350 -0.000 0.000 0.202 1342 E C 2.033 178.669 176.600 0.060 0.000 1.019 1342 E CA 1.892 58.326 56.400 0.056 0.000 0.819 1342 E CB -0.446 29.279 29.700 0.041 0.000 0.739 1342 E HN 0.761 nan 8.360 nan 0.000 0.458 1343 A N 0.347 123.205 122.820 0.064 0.000 2.016 1343 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 1343 A C 2.405 180.058 177.584 0.115 0.000 1.162 1343 A CA 1.522 53.601 52.037 0.071 0.000 0.662 1343 A CB -0.645 18.396 19.000 0.069 0.000 0.812 1343 A HN 0.326 nan 8.150 nan 0.000 0.450 1344 G N -0.328 108.551 108.800 0.130 0.000 2.433 1344 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 1344 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 1344 G C 1.722 176.743 174.900 0.202 0.000 1.186 1344 G CA 0.914 46.127 45.100 0.188 0.000 0.779 1344 G HN 0.494 nan 8.290 nan 0.000 0.543 1345 R N 0.610 121.202 120.500 0.153 0.000 2.112 1345 R HA -0.186 4.154 4.340 -0.000 0.000 0.242 1345 R C 2.884 179.274 176.300 0.150 0.000 1.137 1345 R CA 1.843 58.028 56.100 0.143 0.000 0.944 1345 R CB -0.584 29.771 30.300 0.092 0.000 0.857 1345 R HN 0.300 nan 8.270 nan 0.000 0.435 1346 A N 0.381 123.268 122.820 0.111 0.000 1.927 1346 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 1346 A C 2.325 179.998 177.584 0.148 0.000 1.185 1346 A CA 2.205 54.298 52.037 0.094 0.000 0.639 1346 A CB -0.771 18.250 19.000 0.036 0.000 0.820 1346 A HN 0.602 nan 8.150 nan 0.000 0.451 1347 A N -0.624 122.297 122.820 0.169 0.000 1.840 1347 A HA 0.079 4.399 4.320 -0.000 0.000 0.214 1347 A C 2.091 179.767 177.584 0.155 0.000 1.198 1347 A CA 1.571 53.740 52.037 0.220 0.000 0.608 1347 A CB -0.869 18.370 19.000 0.398 0.000 0.839 1347 A HN 0.933 nan 8.150 nan 0.000 0.443 1348 L N -1.022 120.283 121.223 0.135 0.000 2.085 1348 L HA -0.274 4.066 4.340 -0.000 0.000 0.218 1348 L C 2.254 179.109 176.870 -0.026 0.000 1.080 1348 L CA 2.934 57.742 54.840 -0.052 0.000 0.776 1348 L CB -1.118 41.061 42.059 0.199 0.000 0.891 1348 L HN 0.576 nan 8.230 nan 0.000 0.437 1349 Y N 0.255 120.552 120.300 -0.006 0.000 2.109 1349 Y HA -0.244 4.306 4.550 -0.000 0.000 0.285 1349 Y C 2.771 178.703 175.900 0.054 0.000 1.131 1349 Y CA 2.328 60.428 58.100 0.000 0.000 1.121 1349 Y CB -0.434 38.014 38.460 -0.020 0.000 0.987 1349 Y HN 0.247 nan 8.280 nan 0.000 0.495 1350 K N -0.009 120.526 120.400 0.225 0.000 2.107 1350 K HA -0.335 3.985 4.320 -0.000 0.000 0.211 1350 K C 2.041 178.677 176.600 0.061 0.000 1.049 1350 K CA 2.207 58.592 56.287 0.163 0.000 0.927 1350 K CB -0.241 32.345 32.500 0.143 0.000 0.714 1350 K HN 0.340 nan 8.250 nan 0.000 0.452 1351 E N 0.111 120.315 120.200 0.007 0.000 2.015 1351 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 1351 E C 1.876 178.395 176.600 -0.134 0.000 0.991 1351 E CA 1.372 57.735 56.400 -0.061 0.000 0.802 1351 E CB -0.215 29.367 29.700 -0.197 0.000 0.759 1351 E HN 0.140 nan 8.360 nan 0.000 0.447 1352 V N 0.747 120.543 119.914 -0.196 0.000 2.380 1352 V HA -0.288 3.832 4.120 -0.000 0.000 0.251 1352 V C 2.193 178.173 176.094 -0.191 0.000 1.063 1352 V CA 2.153 64.340 62.300 -0.188 0.000 1.055 1352 V CB -0.759 30.953 31.823 -0.185 0.000 0.657 1352 V HN 0.409 nan 8.190 nan 0.000 0.455 1353 Y N 1.614 121.661 120.300 -0.421 0.000 2.224 1353 Y HA -0.201 4.349 4.550 -0.000 0.000 0.289 1353 Y C 2.441 178.254 175.900 -0.144 0.000 1.146 1353 Y CA 1.813 59.705 58.100 -0.347 0.000 1.182 1353 Y CB -0.497 37.678 38.460 -0.475 0.000 0.983 1353 Y HN 0.283 nan 8.280 nan 0.000 0.524 1354 N N -0.031 118.497 118.700 -0.287 0.000 2.188 1354 N HA -0.152 4.588 4.740 -0.000 0.000 0.184 1354 N C 1.898 177.256 175.510 -0.254 0.000 1.018 1354 N CA 1.642 54.504 53.050 -0.313 0.000 0.858 1354 N CB -0.189 38.239 38.487 -0.098 0.000 0.989 1354 N HN 0.326 nan 8.380 nan 0.000 0.426 1355 V N 1.768 121.572 119.914 -0.184 0.000 2.407 1355 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 1355 V C 2.097 178.107 176.094 -0.140 0.000 1.055 1355 V CA 1.256 63.476 62.300 -0.134 0.000 1.049 1355 V CB -0.320 31.441 31.823 -0.103 0.000 0.662 1355 V HN 0.261 nan 8.190 nan 0.000 0.455 1356 I N -0.060 120.406 120.570 -0.174 0.000 3.226 1356 I HA 0.026 4.195 4.170 -0.000 0.000 0.277 1356 I C 2.404 178.422 176.117 -0.165 0.000 1.243 1356 I CA 0.875 62.097 61.300 -0.130 0.000 1.459 1356 I CB -0.325 37.631 38.000 -0.074 0.000 1.093 1356 I HN 0.242 nan 8.210 nan 0.000 0.453 1357 A N 0.921 123.553 122.820 -0.313 0.000 1.935 1357 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 1357 A C 2.445 179.920 177.584 -0.182 0.000 1.178 1357 A CA 1.241 53.087 52.037 -0.320 0.000 0.640 1357 A CB -0.551 18.071 19.000 -0.630 0.000 0.825 1357 A HN 0.437 nan 8.150 nan 0.000 0.447 1358 S N -0.037 115.565 115.700 -0.164 0.000 2.440 1358 S HA -0.190 4.280 4.470 -0.000 0.000 0.238 1358 S C 1.340 175.898 174.600 -0.070 0.000 1.010 1358 S CA 1.473 59.612 58.200 -0.101 0.000 0.972 1358 S CB -0.389 62.759 63.200 -0.087 0.000 0.774 1358 S HN 0.562 nan 8.310 nan 0.000 0.501 1359 D N 1.066 121.424 120.400 -0.071 0.000 2.348 1359 D HA 0.161 4.801 4.640 -0.000 0.000 0.211 1359 D C 1.355 177.638 176.300 -0.028 0.000 0.998 1359 D CA 0.828 54.802 54.000 -0.044 0.000 0.873 1359 D CB 0.132 40.907 40.800 -0.042 0.000 0.925 1359 D HN 0.624 nan 8.370 nan 0.000 0.524 1360 G N 0.842 109.622 108.800 -0.032 0.000 2.132 1360 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.234 1360 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.234 1360 G C 0.381 175.291 174.900 0.017 0.000 0.989 1360 G CA 0.440 45.534 45.100 -0.010 0.000 0.676 1360 G HN 0.303 nan 8.290 nan 0.000 0.522 1361 S N -1.086 114.626 115.700 0.020 0.000 2.745 1361 S HA 0.844 5.314 4.470 -0.000 0.000 0.292 1361 S C -0.840 173.859 174.600 0.164 0.000 1.127 1361 S CA -0.420 57.820 58.200 0.066 0.000 1.007 1361 S CB 1.847 65.064 63.200 0.030 0.000 1.165 1361 S HN 1.031 nan 8.310 nan 0.000 0.544 1362 Y N 0.344 120.661 120.300 0.029 0.000 2.441 1362 Y HA 0.604 5.154 4.550 -0.000 0.000 0.334 1362 Y C -1.872 174.093 175.900 0.108 0.000 1.061 1362 Y CA -1.300 56.849 58.100 0.081 0.000 1.032 1362 Y CB 0.580 39.088 38.460 0.080 0.000 1.266 1362 Y HN 0.347 nan 8.280 nan 0.000 0.441 1363 V N 6.448 126.528 119.914 0.277 0.000 2.531 1363 V HA 0.306 4.426 4.120 -0.000 0.000 0.301 1363 V C -0.236 175.955 176.094 0.160 0.000 1.034 1363 V CA -1.196 61.134 62.300 0.050 0.000 0.865 1363 V CB 1.805 33.726 31.823 0.165 0.000 0.995 1363 V HN 0.845 nan 8.190 nan 0.000 0.424 1364 N N 3.298 121.995 118.700 -0.006 0.000 2.427 1364 N HA -0.000 4.740 4.740 -0.000 0.000 0.269 1364 N C 1.083 176.734 175.510 0.235 0.000 1.235 1364 N CA -0.028 53.114 53.050 0.153 0.000 0.934 1364 N CB 0.280 38.757 38.487 -0.018 0.000 1.121 1364 N HN 0.743 nan 8.380 nan 0.000 0.480 1365 Y N 5.345 125.791 120.300 0.244 0.000 1.971 1365 Y HA -0.528 4.022 4.550 -0.000 0.000 0.181 1365 Y C 2.137 178.093 175.900 0.093 0.000 1.167 1365 Y CA 3.105 61.332 58.100 0.211 0.000 0.869 1365 Y CB -0.489 38.020 38.460 0.082 0.000 0.693 1365 Y HN 0.711 nan 8.280 nan 0.000 0.587 1366 R N -1.429 119.120 120.500 0.082 0.000 2.279 1366 R HA -0.340 4.000 4.340 -0.000 0.000 0.264 1366 R C 1.831 178.045 176.300 -0.143 0.000 1.138 1366 R CA 2.183 58.174 56.100 -0.183 0.000 0.981 1366 R CB -1.532 28.498 30.300 -0.449 0.000 0.909 1366 R HN 0.601 nan 8.270 nan 0.000 0.462 1367 H N 0.675 119.772 119.070 0.045 0.000 2.261 1367 H HA 0.040 4.596 4.556 -0.000 0.000 0.301 1367 H C 2.392 177.729 175.328 0.016 0.000 1.067 1367 H CA 1.873 57.952 56.048 0.051 0.000 1.297 1367 H CB -0.437 29.354 29.762 0.048 0.000 1.377 1367 H HN 0.245 nan 8.280 nan 0.000 0.492 1368 M N 0.398 120.107 119.600 0.182 0.000 2.149 1368 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 1368 M C 2.680 179.035 176.300 0.091 0.000 1.064 1368 M CA 1.337 56.705 55.300 0.114 0.000 1.102 1368 M CB -0.296 32.369 32.600 0.108 0.000 1.369 1368 M HN 0.242 nan 8.290 nan 0.000 0.408 1369 A N 0.929 123.710 122.820 -0.065 0.000 1.834 1369 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 1369 A C 2.075 179.605 177.584 -0.091 0.000 1.203 1369 A CA 1.690 53.560 52.037 -0.279 0.000 0.621 1369 A CB -1.156 17.366 19.000 -0.797 0.000 0.841 1369 A HN 0.412 nan 8.150 nan 0.000 0.446 1370 L N -0.392 120.803 121.223 -0.047 0.000 2.011 1370 L HA -0.267 4.073 4.340 -0.000 0.000 0.225 1370 L C 2.418 179.293 176.870 0.009 0.000 1.084 1370 L CA 2.794 57.645 54.840 0.017 0.000 0.791 1370 L CB -0.857 41.257 42.059 0.091 0.000 0.898 1370 L HN 0.522 nan 8.230 nan 0.000 0.440 1371 L N -1.357 119.876 121.223 0.017 0.000 1.990 1371 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 1371 L C 2.443 179.326 176.870 0.020 0.000 1.072 1371 L CA 2.141 56.982 54.840 0.001 0.000 0.755 1371 L CB -0.940 41.119 42.059 -0.001 0.000 0.889 1371 L HN 0.135 nan 8.230 nan 0.000 0.432 1372 V N 0.259 120.199 119.914 0.043 0.000 2.453 1372 V HA -0.311 3.808 4.120 -0.000 0.000 0.252 1372 V C 2.120 178.249 176.094 0.059 0.000 1.068 1372 V CA 2.332 64.677 62.300 0.075 0.000 1.070 1372 V CB -0.691 31.213 31.823 0.134 0.000 0.664 1372 V HN 0.634 nan 8.190 nan 0.000 0.461 1373 D N -0.620 119.795 120.400 0.025 0.000 2.137 1373 D HA -0.078 4.562 4.640 -0.000 0.000 0.202 1373 D C 2.124 178.434 176.300 0.017 0.000 0.970 1373 D CA 1.439 55.449 54.000 0.017 0.000 0.837 1373 D CB -0.116 40.680 40.800 -0.006 0.000 0.981 1373 D HN 0.420 nan 8.370 nan 0.000 0.475 1374 V N 1.419 121.336 119.914 0.005 0.000 2.490 1374 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 1374 V C 2.503 178.613 176.094 0.025 0.000 1.061 1374 V CA 1.235 63.532 62.300 -0.005 0.000 1.064 1374 V CB -0.485 31.313 31.823 -0.042 0.000 0.670 1374 V HN 0.182 nan 8.190 nan 0.000 0.461 1375 M N -0.409 119.219 119.600 0.046 0.000 2.394 1375 M HA -0.112 4.368 4.480 -0.000 0.000 0.264 1375 M C 2.250 178.604 176.300 0.090 0.000 1.073 1375 M CA 1.934 57.284 55.300 0.084 0.000 1.111 1375 M CB -0.312 32.353 32.600 0.109 0.000 1.401 1375 M HN 0.549 nan 8.290 nan 0.000 0.448 1376 T N -0.535 114.065 114.554 0.077 0.000 2.990 1376 T HA -0.068 4.282 4.350 -0.000 0.000 0.237 1376 T C 1.803 176.538 174.700 0.059 0.000 1.009 1376 T CA 1.806 63.952 62.100 0.077 0.000 1.195 1376 T CB -0.577 68.340 68.868 0.082 0.000 0.885 1376 T HN 0.517 nan 8.240 nan 0.000 0.424 1377 T N 1.584 116.165 114.554 0.044 0.000 2.314 1377 T HA -0.453 3.897 4.350 -0.000 0.000 0.215 1377 T C 1.842 176.567 174.700 0.042 0.000 1.534 1377 T CA 2.431 64.552 62.100 0.035 0.000 1.080 1377 T CB -1.626 67.248 68.868 0.009 0.000 0.833 1377 T HN 0.552 nan 8.240 nan 0.000 0.429 1378 Q N 1.425 121.250 119.800 0.042 0.000 2.265 1378 Q HA -0.282 4.058 4.340 -0.000 0.000 0.219 1378 Q C 2.177 178.205 176.000 0.047 0.000 1.031 1378 Q CA 2.605 58.437 55.803 0.047 0.000 0.949 1378 Q CB -0.865 27.908 28.738 0.058 0.000 1.022 1378 Q HN 0.979 nan 8.270 nan 0.000 0.419 1379 G N -3.107 105.722 108.800 0.049 0.000 4.081 1379 G HA2 0.130 4.090 3.960 -0.000 0.000 0.192 1379 G HA3 0.130 4.090 3.960 -0.000 0.000 0.192 1379 G C 0.264 175.191 174.900 0.045 0.000 0.917 1379 G CA 0.387 45.514 45.100 0.045 0.000 0.915 1379 G HN 0.627 nan 8.290 nan 0.000 0.330 1380 G N -0.285 108.543 108.800 0.047 0.000 3.508 1380 G HA2 0.478 4.438 3.960 -0.000 0.000 0.172 1380 G HA3 0.478 4.438 3.960 -0.000 0.000 0.172 1380 G C -1.126 173.806 174.900 0.052 0.000 1.231 1380 G CA -0.395 44.731 45.100 0.043 0.000 1.218 1380 G HN 0.450 nan 8.290 nan 0.000 0.709 1381 L N 2.758 124.002 121.223 0.034 0.000 2.360 1381 L HA 0.379 4.719 4.340 -0.000 0.000 0.265 1381 L C -0.296 176.609 176.870 0.059 0.000 1.066 1381 L CA -0.287 54.580 54.840 0.045 0.000 0.929 1381 L CB 0.961 43.004 42.059 -0.028 0.000 1.306 1381 L HN 0.265 nan 8.230 nan 0.000 0.434 1382 T N 0.737 115.344 114.554 0.089 0.000 2.794 1382 T HA 0.186 4.536 4.350 -0.000 0.000 0.296 1382 T C 0.546 175.334 174.700 0.146 0.000 0.949 1382 T CA -0.449 61.717 62.100 0.110 0.000 1.101 1382 T CB 1.054 69.995 68.868 0.123 0.000 0.905 1382 T HN 0.599 nan 8.240 nan 0.000 0.516 1383 S N 1.853 117.645 115.700 0.154 0.000 2.601 1383 S HA 0.270 4.740 4.470 -0.000 0.000 0.271 1383 S C 0.466 175.236 174.600 0.283 0.000 1.305 1383 S CA -0.955 57.358 58.200 0.189 0.000 1.022 1383 S CB 0.768 64.068 63.200 0.166 0.000 0.940 1383 S HN 0.420 nan 8.310 nan 0.000 0.525 1384 V N 3.094 123.182 119.914 0.291 0.000 2.248 1384 V HA 0.268 4.388 4.120 -0.000 0.000 0.309 1384 V C -0.002 176.347 176.094 0.425 0.000 1.722 1384 V CA 0.064 62.623 62.300 0.433 0.000 1.693 1384 V CB -1.775 30.163 31.823 0.192 0.000 1.470 1384 V HN 1.043 nan 8.190 nan 0.000 0.518 1385 T N -0.250 114.459 114.554 0.258 0.000 2.889 1385 T HA 0.263 4.613 4.350 -0.000 0.000 0.315 1385 T C 0.911 175.470 174.700 -0.236 0.000 1.291 1385 T CA -0.841 61.306 62.100 0.078 0.000 1.028 1385 T CB 1.992 70.941 68.868 0.135 0.000 1.235 1385 T HN 0.336 nan 8.240 nan 0.000 0.491 1386 R N 0.588 120.905 120.500 -0.304 0.000 2.267 1386 R HA -0.268 4.072 4.340 -0.000 0.000 0.259 1386 R C 1.052 177.123 176.300 -0.382 0.000 1.192 1386 R CA 1.912 57.713 56.100 -0.498 0.000 1.013 1386 R CB -0.427 29.512 30.300 -0.602 0.000 0.877 1386 R HN 0.668 nan 8.270 nan 0.000 0.474 1387 H N -0.975 118.012 119.070 -0.138 0.000 2.363 1387 H HA 0.067 4.623 4.556 -0.000 0.000 0.301 1387 H C 1.673 176.957 175.328 -0.073 0.000 1.074 1387 H CA 1.481 57.480 56.048 -0.082 0.000 1.354 1387 H CB -0.190 29.553 29.762 -0.032 0.000 1.397 1387 H HN 0.447 nan 8.280 nan 0.000 0.516 1388 G N 0.306 109.131 108.800 0.042 0.000 2.992 1388 G HA2 0.016 3.976 3.960 -0.000 0.000 0.201 1388 G HA3 0.016 3.976 3.960 -0.000 0.000 0.201 1388 G C 1.229 176.140 174.900 0.017 0.000 2.057 1388 G CA 0.319 45.453 45.100 0.056 0.000 0.800 1388 G HN 0.305 nan 8.290 nan 0.000 0.700 1389 F N 2.024 122.026 119.950 0.087 0.000 2.094 1389 F HA -0.277 4.250 4.527 -0.000 0.000 0.296 1389 F C 1.343 177.193 175.800 0.083 0.000 1.070 1389 F CA 1.851 59.894 58.000 0.071 0.000 1.255 1389 F CB -1.013 38.018 39.000 0.052 0.000 1.000 1389 F HN 0.222 nan 8.300 nan 0.000 0.490 1390 N N 0.360 118.772 118.700 -0.480 0.000 2.416 1390 N HA 0.018 4.758 4.740 -0.000 0.000 0.215 1390 N C 1.275 176.748 175.510 -0.061 0.000 1.208 1390 N CA 0.407 53.344 53.050 -0.187 0.000 0.834 1390 N CB -0.326 37.942 38.487 -0.364 0.000 1.072 1390 N HN 0.746 nan 8.380 nan 0.000 0.472 1391 R N -1.823 118.677 120.500 0.001 0.000 2.517 1391 R HA 0.208 4.548 4.340 -0.000 0.000 0.265 1391 R C 0.241 176.572 176.300 0.052 0.000 0.921 1391 R CA -0.215 55.893 56.100 0.013 0.000 1.054 1391 R CB -0.260 30.042 30.300 0.004 0.000 1.340 1391 R HN 0.134 nan 8.270 nan 0.000 0.551 1392 S N 1.024 116.778 115.700 0.090 0.000 2.592 1392 S HA -0.000 4.470 4.470 -0.000 0.000 0.256 1392 S C 0.607 175.251 174.600 0.072 0.000 1.369 1392 S CA -0.068 58.185 58.200 0.089 0.000 0.984 1392 S CB 0.287 63.557 63.200 0.116 0.000 0.919 1392 S HN 0.380 nan 8.310 nan 0.000 0.576 1393 N N 0.573 119.311 118.700 0.063 0.000 2.635 1393 N HA -0.043 4.697 4.740 -0.000 0.000 0.191 1393 N C 0.239 175.783 175.510 0.057 0.000 1.155 1393 N CA 0.675 53.757 53.050 0.053 0.000 0.927 1393 N CB -0.927 37.587 38.487 0.045 0.000 0.976 1393 N HN 0.616 nan 8.380 nan 0.000 0.448 1394 T N 0.605 115.200 114.554 0.068 0.000 2.856 1394 T HA 0.156 4.506 4.350 -0.000 0.000 0.329 1394 T C 1.338 176.080 174.700 0.070 0.000 1.094 1394 T CA 0.004 62.145 62.100 0.068 0.000 1.112 1394 T CB 0.534 69.454 68.868 0.086 0.000 1.009 1394 T HN 0.216 nan 8.240 nan 0.000 0.550 1395 G N -0.262 108.578 108.800 0.067 0.000 2.744 1395 G HA2 0.360 4.319 3.960 -0.000 0.000 0.257 1395 G HA3 0.360 4.319 3.960 -0.000 0.000 0.257 1395 G C 1.077 176.039 174.900 0.104 0.000 1.244 1395 G CA -0.216 44.933 45.100 0.082 0.000 0.916 1395 G HN 0.880 nan 8.290 nan 0.000 0.564 1396 A N -0.531 122.385 122.820 0.159 0.000 1.849 1396 A HA 0.125 4.445 4.320 -0.000 0.000 0.214 1396 A C 2.487 180.145 177.584 0.123 0.000 1.269 1396 A CA 1.107 53.227 52.037 0.139 0.000 0.605 1396 A CB -0.777 18.342 19.000 0.199 0.000 0.937 1396 A HN 0.590 nan 8.150 nan 0.000 0.461 1397 L N -0.784 120.562 121.223 0.206 0.000 2.198 1397 L HA -0.348 3.992 4.340 -0.000 0.000 0.218 1397 L C 2.798 179.718 176.870 0.083 0.000 1.084 1397 L CA 2.231 57.154 54.840 0.139 0.000 0.779 1397 L CB -0.510 41.630 42.059 0.135 0.000 0.890 1397 L HN 0.679 nan 8.230 nan 0.000 0.439 1398 M N -0.286 119.363 119.600 0.083 0.000 2.073 1398 M HA -0.199 4.281 4.480 -0.000 0.000 0.259 1398 M C 2.479 178.841 176.300 0.104 0.000 1.079 1398 M CA 1.699 57.045 55.300 0.077 0.000 1.131 1398 M CB -0.125 32.518 32.600 0.071 0.000 1.316 1398 M HN 0.000 nan 8.290 nan 0.000 0.415 1399 R N -0.147 120.421 120.500 0.114 0.000 2.117 1399 R HA -0.216 4.124 4.340 -0.000 0.000 0.243 1399 R C 2.508 178.866 176.300 0.096 0.000 1.143 1399 R CA 1.589 57.773 56.100 0.140 0.000 0.968 1399 R CB -1.425 28.930 30.300 0.091 0.000 0.863 1399 R HN 0.670 nan 8.270 nan 0.000 0.444 1400 C N 1.533 120.860 119.300 0.044 0.000 2.398 1400 C HA -0.122 4.338 4.460 -0.000 0.000 0.282 1400 C C 2.001 177.003 174.990 0.021 0.000 1.275 1400 C CA 1.411 60.427 59.018 -0.004 0.000 1.797 1400 C CB -0.999 26.733 27.740 -0.014 0.000 1.991 1400 C HN 0.528 nan 8.230 nan 0.000 0.505 1401 S N -1.153 114.594 115.700 0.078 0.000 2.849 1401 S HA 0.448 4.918 4.470 -0.000 0.000 0.244 1401 S C -0.431 174.303 174.600 0.223 0.000 1.297 1401 S CA -0.399 57.861 58.200 0.100 0.000 1.241 1401 S CB -0.690 62.556 63.200 0.077 0.000 0.958 1401 S HN 0.803 nan 8.310 nan 0.000 0.489 1402 F N 0.697 120.643 119.950 -0.008 0.000 3.075 1402 F HA 0.246 4.773 4.527 -0.000 0.000 0.327 1402 F C 0.141 175.921 175.800 -0.033 0.000 1.038 1402 F CA -0.835 57.167 58.000 0.003 0.000 1.285 1402 F CB -0.297 38.733 39.000 0.050 0.000 1.570 1402 F HN 0.336 nan 8.300 nan 0.000 0.762 1403 E N 2.286 122.150 120.200 -0.560 0.000 3.991 1403 E HA -0.293 4.057 4.350 -0.000 0.000 0.331 1403 E C 0.560 176.920 176.600 -0.400 0.000 0.628 1403 E CA 1.873 57.893 56.400 -0.634 0.000 1.192 1403 E CB -0.471 28.527 29.700 -1.170 0.000 1.683 1403 E HN 0.882 nan 8.360 nan 0.000 0.416 1404 E N -1.308 118.708 120.200 -0.306 0.000 2.665 1404 E HA 0.047 4.397 4.350 -0.000 0.000 0.225 1404 E C 0.820 177.303 176.600 -0.196 0.000 0.922 1404 E CA 0.667 56.929 56.400 -0.230 0.000 1.242 1404 E CB 0.734 30.302 29.700 -0.219 0.000 1.197 1404 E HN 0.246 nan 8.360 nan 0.000 0.581 1405 T N 1.008 115.458 114.554 -0.173 0.000 1.843 1405 T HA -0.382 3.968 4.350 -0.000 0.000 0.104 1405 T C 1.785 176.331 174.700 -0.258 0.000 1.817 1405 T CA 2.389 64.384 62.100 -0.175 0.000 0.783 1405 T CB -1.331 67.442 68.868 -0.157 0.000 0.774 1405 T HN 0.045 nan 8.240 nan 0.000 0.404 1406 V N 2.398 122.109 119.914 -0.339 0.000 2.252 1406 V HA -0.236 3.884 4.120 -0.000 0.000 0.249 1406 V C 2.761 178.473 176.094 -0.638 0.000 1.056 1406 V CA 2.648 64.585 62.300 -0.604 0.000 1.022 1406 V CB -0.919 30.488 31.823 -0.693 0.000 0.641 1406 V HN 0.577 nan 8.190 nan 0.000 0.445 1407 E N -0.372 119.605 120.200 -0.370 0.000 2.136 1407 E HA -0.274 4.076 4.350 -0.000 0.000 0.202 1407 E C 2.169 178.697 176.600 -0.120 0.000 1.019 1407 E CA 1.939 58.235 56.400 -0.173 0.000 0.819 1407 E CB -0.227 29.401 29.700 -0.120 0.000 0.739 1407 E HN 0.575 nan 8.360 nan 0.000 0.458 1408 I N 0.594 121.062 120.570 -0.170 0.000 2.233 1408 I HA -0.248 3.922 4.170 -0.000 0.000 0.243 1408 I C 2.436 178.448 176.117 -0.174 0.000 1.093 1408 I CA 0.677 61.895 61.300 -0.137 0.000 1.380 1408 I CB -0.115 37.806 38.000 -0.132 0.000 1.067 1408 I HN 0.148 nan 8.210 nan 0.000 0.413 1409 L N -0.016 121.044 121.223 -0.272 0.000 2.042 1409 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 1409 L C 2.575 179.335 176.870 -0.184 0.000 1.076 1409 L CA 1.731 56.353 54.840 -0.363 0.000 0.749 1409 L CB -0.559 41.265 42.059 -0.391 0.000 0.893 1409 L HN 0.183 nan 8.230 nan 0.000 0.432 1410 F N 0.429 120.298 119.950 -0.134 0.000 2.043 1410 F HA -0.316 4.211 4.527 -0.000 0.000 0.297 1410 F C 2.445 178.325 175.800 0.134 0.000 1.121 1410 F CA 1.178 59.179 58.000 0.003 0.000 1.199 1410 F CB -0.224 38.773 39.000 -0.005 0.000 0.968 1410 F HN 0.151 nan 8.300 nan 0.000 0.478 1411 E N 0.077 120.426 120.200 0.249 0.000 2.515 1411 E HA -0.103 4.247 4.350 -0.000 0.000 0.201 1411 E C 1.838 178.409 176.600 -0.047 0.000 1.071 1411 E CA 0.321 56.761 56.400 0.066 0.000 0.880 1411 E CB -0.063 29.637 29.700 0.000 0.000 0.828 1411 E HN 0.399 nan 8.360 nan 0.000 0.540 1412 A N 0.740 123.505 122.820 -0.093 0.000 1.861 1412 A HA 0.032 4.352 4.320 -0.000 0.000 0.212 1412 A C 2.340 179.884 177.584 -0.068 0.000 1.199 1412 A CA 1.189 53.118 52.037 -0.180 0.000 0.613 1412 A CB -0.614 18.037 19.000 -0.582 0.000 0.846 1412 A HN 0.334 nan 8.150 nan 0.000 0.446 1413 G N -1.002 107.764 108.800 -0.057 0.000 2.623 1413 G HA2 0.226 4.186 3.960 -0.000 0.000 0.214 1413 G HA3 0.226 4.186 3.960 -0.000 0.000 0.214 1413 G C 1.444 176.383 174.900 0.064 0.000 1.138 1413 G CA 1.057 46.206 45.100 0.081 0.000 0.794 1413 G HN 0.694 nan 8.290 nan 0.000 0.535 1414 A N 0.557 123.383 122.820 0.011 0.000 1.970 1414 A HA 0.209 4.528 4.320 -0.000 0.000 0.216 1414 A C 2.240 179.549 177.584 -0.458 0.000 1.170 1414 A CA 1.678 53.563 52.037 -0.252 0.000 0.645 1414 A CB 0.004 18.693 19.000 -0.517 0.000 0.816 1414 A HN 0.222 nan 8.150 nan 0.000 0.447 1415 S N -0.806 114.701 115.700 -0.321 0.000 2.568 1415 S HA 0.474 4.944 4.470 -0.000 0.000 0.232 1415 S C 0.810 175.342 174.600 -0.114 0.000 0.975 1415 S CA 0.341 58.336 58.200 -0.341 0.000 0.949 1415 S CB 0.158 63.198 63.200 -0.267 0.000 0.829 1415 S HN 1.529 nan 8.310 nan 0.000 0.479 1416 A N 1.958 124.772 122.820 -0.010 0.000 2.511 1416 A HA -0.229 4.091 4.320 -0.000 0.000 0.297 1416 A C 0.341 178.018 177.584 0.154 0.000 1.476 1416 A CA 0.708 52.827 52.037 0.136 0.000 0.757 1416 A CB -1.761 17.381 19.000 0.236 0.000 1.072 1416 A HN 0.625 nan 8.150 nan 0.000 0.413 1417 E N -1.526 118.769 120.200 0.158 0.000 2.425 1417 E HA 0.388 4.738 4.350 -0.000 0.000 0.258 1417 E C -0.091 176.592 176.600 0.138 0.000 1.151 1417 E CA -0.292 56.204 56.400 0.161 0.000 0.958 1417 E CB 0.462 30.290 29.700 0.212 0.000 0.968 1417 E HN 0.641 nan 8.360 nan 0.000 0.451 1418 L N 1.749 123.019 121.223 0.079 0.000 2.381 1418 L HA 0.317 4.657 4.340 -0.000 0.000 0.274 1418 L C -1.247 175.612 176.870 -0.017 0.000 0.988 1418 L CA -0.425 54.409 54.840 -0.009 0.000 0.824 1418 L CB 1.788 43.857 42.059 0.017 0.000 1.263 1418 L HN 0.367 nan 8.230 nan 0.000 0.410 1419 D N 2.922 123.262 120.400 -0.100 0.000 2.233 1419 D HA 0.189 4.828 4.640 -0.000 0.000 0.240 1419 D C 0.226 176.490 176.300 -0.060 0.000 1.074 1419 D CA -0.097 53.869 54.000 -0.058 0.000 0.838 1419 D CB 1.714 42.469 40.800 -0.075 0.000 1.124 1419 D HN 0.625 nan 8.370 nan 0.000 0.475 1420 D N 1.684 122.070 120.400 -0.024 0.000 2.117 1420 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 1420 D C 0.561 176.844 176.300 -0.028 0.000 0.982 1420 D CA 0.827 54.814 54.000 -0.022 0.000 0.828 1420 D CB 0.138 40.935 40.800 -0.006 0.000 0.967 1420 D HN 0.522 nan 8.370 nan 0.000 0.464 1421 C N 0.455 119.740 119.300 -0.024 0.000 4.388 1421 C HA -0.133 4.327 4.460 -0.000 0.000 0.310 1421 C C 1.208 176.187 174.990 -0.018 0.000 1.261 1421 C CA -0.110 58.892 59.018 -0.026 0.000 2.114 1421 C CB -2.326 25.388 27.740 -0.043 0.000 1.281 1421 C HN 0.431 nan 8.230 nan 0.000 0.706 1422 R N -0.271 120.224 120.500 -0.008 0.000 2.521 1422 R HA 0.237 4.577 4.340 -0.000 0.000 0.289 1422 R C 1.054 177.354 176.300 -0.000 0.000 0.936 1422 R CA 0.512 56.612 56.100 -0.001 0.000 1.089 1422 R CB 0.662 30.965 30.300 0.005 0.000 1.348 1422 R HN 0.556 nan 8.270 nan 0.000 0.536 1423 G N 0.669 109.468 108.800 -0.002 0.000 2.370 1423 G HA2 0.292 4.252 3.960 -0.000 0.000 0.272 1423 G HA3 0.292 4.252 3.960 -0.000 0.000 0.272 1423 G C 1.171 176.061 174.900 -0.017 0.000 1.208 1423 G CA -0.535 44.563 45.100 -0.004 0.000 0.856 1423 G HN -0.125 nan 8.290 nan 0.000 0.500 1424 V N 2.783 122.680 119.914 -0.029 0.000 2.250 1424 V HA -0.294 3.826 4.120 -0.000 0.000 0.253 1424 V C 3.029 179.104 176.094 -0.031 0.000 1.065 1424 V CA 2.732 65.008 62.300 -0.040 0.000 1.039 1424 V CB -1.004 30.786 31.823 -0.055 0.000 0.647 1424 V HN 0.742 nan 8.190 nan 0.000 0.446 1425 S N -0.319 115.368 115.700 -0.022 0.000 2.359 1425 S HA -0.276 4.194 4.470 -0.000 0.000 0.223 1425 S C 1.866 176.464 174.600 -0.003 0.000 1.039 1425 S CA 1.701 59.896 58.200 -0.009 0.000 1.042 1425 S CB -0.554 62.651 63.200 0.008 0.000 0.915 1425 S HN 0.669 nan 8.310 nan 0.000 0.439 1426 E N 1.860 122.060 120.200 0.001 0.000 2.108 1426 E HA -0.202 4.148 4.350 -0.000 0.000 0.203 1426 E C 1.796 178.388 176.600 -0.013 0.000 1.022 1426 E CA 1.317 57.717 56.400 -0.000 0.000 0.823 1426 E CB -0.721 28.976 29.700 -0.005 0.000 0.744 1426 E HN 0.592 nan 8.360 nan 0.000 0.456 1427 N N 0.319 119.006 118.700 -0.021 0.000 2.250 1427 N HA -0.067 4.673 4.740 -0.000 0.000 0.181 1427 N C 2.094 177.588 175.510 -0.027 0.000 1.017 1427 N CA 0.676 53.709 53.050 -0.028 0.000 0.866 1427 N CB -0.065 38.401 38.487 -0.035 0.000 0.985 1427 N HN -0.011 nan 8.380 nan 0.000 0.429 1428 V N 2.376 122.274 119.914 -0.026 0.000 2.453 1428 V HA -0.188 3.932 4.120 -0.000 0.000 0.252 1428 V C 2.174 178.257 176.094 -0.018 0.000 1.068 1428 V CA 1.283 63.568 62.300 -0.026 0.000 1.070 1428 V CB -0.362 31.445 31.823 -0.026 0.000 0.664 1428 V HN 0.279 nan 8.190 nan 0.000 0.461 1429 I N -1.096 119.467 120.570 -0.012 0.000 2.617 1429 I HA -0.124 4.046 4.170 -0.000 0.000 0.256 1429 I C 1.949 178.060 176.117 -0.010 0.000 1.167 1429 I CA 1.196 62.493 61.300 -0.005 0.000 1.469 1429 I CB -0.075 37.928 38.000 0.006 0.000 1.098 1429 I HN 0.282 nan 8.210 nan 0.000 0.436 1430 L N 0.101 121.313 121.223 -0.018 0.000 2.416 1430 L HA 0.243 4.583 4.340 -0.000 0.000 0.216 1430 L C 1.409 178.265 176.870 -0.023 0.000 1.098 1430 L CA 0.590 55.416 54.840 -0.023 0.000 0.840 1430 L CB -0.076 41.964 42.059 -0.031 0.000 0.981 1430 L HN 0.406 nan 8.230 nan 0.000 0.462 1431 G N 0.477 109.263 108.800 -0.024 0.000 2.165 1431 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.226 1431 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.226 1431 G C -0.073 174.810 174.900 -0.029 0.000 1.035 1431 G CA -0.297 44.788 45.100 -0.025 0.000 0.744 1431 G HN 0.388 nan 8.290 nan 0.000 0.501 1432 Q N -0.620 119.161 119.800 -0.032 0.000 2.297 1432 Q HA 0.641 4.981 4.340 -0.000 0.000 0.268 1432 Q C 0.384 176.358 176.000 -0.043 0.000 1.045 1432 Q CA -1.145 54.637 55.803 -0.036 0.000 0.861 1432 Q CB 1.636 30.353 28.738 -0.035 0.000 1.344 1432 Q HN 0.351 nan 8.270 nan 0.000 0.452 1433 M N 1.712 121.283 119.600 -0.049 0.000 2.246 1433 M HA 0.216 4.696 4.480 -0.000 0.000 0.350 1433 M C -0.584 175.676 176.300 -0.067 0.000 1.406 1433 M CA 0.021 55.283 55.300 -0.063 0.000 1.089 1433 M CB 0.413 32.969 32.600 -0.072 0.000 1.782 1433 M HN 0.811 nan 8.290 nan 0.000 0.457 1434 A N 7.266 130.043 122.820 -0.071 0.000 2.354 1434 A HA 0.492 4.812 4.320 -0.000 0.000 0.269 1434 A C -2.432 175.100 177.584 -0.087 0.000 1.109 1434 A CA -1.411 50.584 52.037 -0.069 0.000 0.800 1434 A CB -0.269 18.692 19.000 -0.065 0.000 1.045 1434 A HN 0.613 nan 8.150 nan 0.000 0.489 1435 P HA 0.282 nan 4.420 nan 0.000 0.259 1435 P C -1.087 176.159 177.300 -0.091 0.000 1.635 1435 P CA 0.908 63.963 63.100 -0.075 0.000 1.199 1435 P CB -0.366 31.317 31.700 -0.028 0.000 1.850 1436 I N 0.993 121.487 120.570 -0.128 0.000 2.610 1436 I HA 0.304 4.474 4.170 -0.000 0.000 0.289 1436 I C 1.281 177.307 176.117 -0.152 0.000 1.163 1436 I CA -0.683 60.537 61.300 -0.134 0.000 1.044 1436 I CB 2.053 39.985 38.000 -0.114 0.000 1.251 1436 I HN 0.363 nan 8.210 nan 0.000 0.424 1437 G N 3.979 112.693 108.800 -0.142 0.000 2.674 1437 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.375 1437 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.375 1437 G C 1.042 175.857 174.900 -0.141 0.000 1.175 1437 G CA 1.540 46.578 45.100 -0.103 0.000 0.925 1437 G HN 0.591 nan 8.290 nan 0.000 0.606 1438 T N 0.799 115.278 114.554 -0.124 0.000 2.824 1438 T HA -0.219 4.130 4.350 -0.000 0.000 0.259 1438 T C 1.985 176.367 174.700 -0.531 0.000 1.024 1438 T CA 2.768 64.744 62.100 -0.208 0.000 1.164 1438 T CB -0.586 68.201 68.868 -0.134 0.000 0.836 1438 T HN 1.499 nan 8.240 nan 0.000 0.485 1439 G N -0.641 107.907 108.800 -0.419 0.000 3.502 1439 G HA2 0.474 4.434 3.960 -0.000 0.000 0.267 1439 G HA3 0.474 4.434 3.960 -0.000 0.000 0.267 1439 G C 0.879 175.542 174.900 -0.394 0.000 1.090 1439 G CA 0.363 45.193 45.100 -0.451 0.000 0.795 1439 G HN 0.546 nan 8.290 nan 0.000 0.535 1440 A N 0.440 123.025 122.820 -0.392 0.000 2.310 1440 A HA 0.608 4.928 4.320 -0.000 0.000 0.230 1440 A C 0.181 177.855 177.584 0.149 0.000 1.294 1440 A CA -0.047 51.930 52.037 -0.099 0.000 0.898 1440 A CB -0.854 18.095 19.000 -0.084 0.000 0.917 1440 A HN 0.834 nan 8.150 nan 0.000 0.491 1441 F N -4.374 115.638 119.950 0.103 0.000 2.900 1441 F HA 0.622 5.149 4.527 -0.000 0.000 0.321 1441 F C -1.572 174.279 175.800 0.084 0.000 1.160 1441 F CA -1.916 56.170 58.000 0.143 0.000 0.890 1441 F CB 0.348 39.492 39.000 0.240 0.000 1.334 1441 F HN -0.167 nan 8.300 nan 0.000 0.459 1442 D N 0.780 121.426 120.400 0.410 0.000 2.299 1442 D HA 0.704 5.344 4.640 -0.000 0.000 0.243 1442 D C -1.089 175.391 176.300 0.300 0.000 0.982 1442 D CA -0.217 53.937 54.000 0.257 0.000 0.924 1442 D CB 2.665 43.547 40.800 0.137 0.000 1.238 1442 D HN 0.578 nan 8.370 nan 0.000 0.484 1443 V N 0.249 120.283 119.914 0.200 0.000 2.604 1443 V HA 0.673 4.793 4.120 -0.000 0.000 0.305 1443 V C -0.135 176.015 176.094 0.094 0.000 1.043 1443 V CA -0.740 61.655 62.300 0.158 0.000 0.888 1443 V CB 1.675 33.598 31.823 0.166 0.000 0.995 1443 V HN 0.464 nan 8.190 nan 0.000 0.429 1444 M N 3.837 123.479 119.600 0.070 0.000 2.550 1444 M HA 0.631 5.111 4.480 -0.000 0.000 0.292 1444 M C -1.480 174.846 176.300 0.043 0.000 1.221 1444 M CA -0.558 54.772 55.300 0.050 0.000 0.873 1444 M CB 2.661 35.285 32.600 0.039 0.000 1.727 1444 M HN 0.558 nan 8.290 nan 0.000 0.459 1445 I N 1.009 121.601 120.570 0.037 0.000 2.322 1445 I HA 0.203 4.373 4.170 -0.000 0.000 0.292 1445 I C -0.093 176.036 176.117 0.020 0.000 1.060 1445 I CA -0.195 61.126 61.300 0.036 0.000 1.309 1445 I CB -0.182 37.839 38.000 0.034 0.000 1.415 1445 I HN 0.424 nan 8.210 nan 0.000 0.492 1446 D N 5.716 126.123 120.400 0.012 0.000 2.374 1446 D HA -0.009 4.631 4.640 -0.000 0.000 0.240 1446 D C 1.214 177.500 176.300 -0.025 0.000 1.229 1446 D CA 0.081 54.074 54.000 -0.011 0.000 0.895 1446 D CB 0.695 41.480 40.800 -0.025 0.000 1.046 1446 D HN 0.562 nan 8.370 nan 0.000 0.498 1447 E N 3.532 123.721 120.200 -0.018 0.000 2.130 1447 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 1447 E C 0.949 177.520 176.600 -0.048 0.000 0.998 1447 E CA 1.150 57.537 56.400 -0.022 0.000 0.806 1447 E CB 0.327 30.018 29.700 -0.014 0.000 0.738 1447 E HN 0.675 nan 8.360 nan 0.000 0.459 1448 E N 0.092 120.257 120.200 -0.058 0.000 2.000 1448 E HA -0.178 4.172 4.350 -0.000 0.000 0.199 1448 E C 2.074 178.586 176.600 -0.147 0.000 1.011 1448 E CA 1.890 58.240 56.400 -0.082 0.000 0.836 1448 E CB -0.179 29.478 29.700 -0.072 0.000 0.778 1448 E HN 0.324 nan 8.360 nan 0.000 0.462 1449 S N 0.916 116.501 115.700 -0.190 0.000 2.462 1449 S HA -0.182 4.288 4.470 -0.000 0.000 0.243 1449 S C 1.743 176.046 174.600 -0.495 0.000 1.003 1449 S CA 0.777 58.742 58.200 -0.391 0.000 0.970 1449 S CB -0.189 62.816 63.200 -0.324 0.000 0.762 1449 S HN 0.200 nan 8.310 nan 0.000 0.510 1450 L N 0.998 122.100 121.223 -0.203 0.000 2.650 1450 L HA 0.340 4.680 4.340 -0.000 0.000 0.235 1450 L C 1.365 178.201 176.870 -0.057 0.000 1.149 1450 L CA 0.443 55.238 54.840 -0.074 0.000 0.887 1450 L CB -0.052 42.007 42.059 -0.002 0.000 1.021 1450 L HN 0.237 nan 8.230 nan 0.000 0.441 1451 V N -2.155 117.684 119.914 -0.124 0.000 3.219 1451 V HA 0.041 4.161 4.120 -0.000 0.000 0.240 1451 V C 2.045 178.099 176.094 -0.066 0.000 1.222 1451 V CA 0.263 62.526 62.300 -0.061 0.000 1.181 1451 V CB -0.073 31.718 31.823 -0.053 0.000 0.941 1451 V HN 0.221 nan 8.190 nan 0.000 0.471 1452 K N 0.038 120.336 120.400 -0.171 0.000 2.360 1452 K HA -0.065 4.255 4.320 -0.000 0.000 0.201 1452 K C 0.082 176.713 176.600 0.052 0.000 1.046 1452 K CA 1.035 57.251 56.287 -0.118 0.000 0.945 1452 K CB -0.143 32.231 32.500 -0.210 0.000 0.750 1452 K HN 0.522 nan 8.250 nan 0.000 0.464 1453 Y N 2.200 122.501 120.300 0.002 0.000 2.691 1453 Y HA 0.196 4.746 4.550 -0.000 0.000 0.338 1453 Y C 0.059 175.961 175.900 0.004 0.000 1.148 1453 Y CA -0.989 57.113 58.100 0.003 0.000 1.430 1453 Y CB -0.186 38.277 38.460 0.005 0.000 1.303 1453 Y HN 0.021 nan 8.280 nan 0.000 0.499 1454 M N 2.126 121.819 119.600 0.155 0.000 2.410 1454 M HA 0.337 4.817 4.480 -0.000 0.000 0.255 1454 M C -3.332 173.003 176.300 0.057 0.000 0.936 1454 M CA -1.251 54.099 55.300 0.084 0.000 0.828 1454 M CB 0.618 33.258 32.600 0.067 0.000 2.029 1454 M HN 0.158 nan 8.290 nan 0.000 0.537 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.117 63.100 0.028 0.000 0.800 1455 P CB 0.000 31.713 31.700 0.021 0.000 0.726