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 1nik_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 VPSXXXXXXL VSRGGCGNTQ PTIRKDGLKL VGSWKXXXXX XXXXXXXLRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSXX DATA SEQUENCE XXXXXXXEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQAXXXXXXP 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 VVXXXXXXXX DATA SEQUENCE XXAEEDHMLK KIENTMLENI TLRGVENIER VVMMKYDRKV PSPTGEYVKE DATA SEQUENCE PEWVLETDGV NLSEVMTVPG IDPTRIYTNS FIDIMEVLGI EAGRAALYKE DATA SEQUENCE VYNVIASDGS YVNYRHMALL VDVMTTQGGL TSVTRHGFNR SNTGALMRCS DATA SEQUENCE FEETVEILFE AGASAELDDC RGVSENVILG QMAPIGTGAF DVMIDEESLV DATA SEQUENCE K 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 0.000 176.081 176.094 -0.022 0.000 1.182 2 V CA 0.000 62.286 62.300 -0.024 0.000 1.235 2 V CB 0.000 31.811 31.823 -0.021 0.000 1.184 3 G N 0.684 109.471 108.800 -0.022 0.000 4.379 3 G HA2 0.605 4.570 3.960 0.009 0.000 0.290 3 G HA3 0.605 4.570 3.960 0.009 0.000 0.290 3 G C -0.251 174.638 174.900 -0.017 0.000 1.065 3 G CA 0.131 45.217 45.100 -0.024 0.000 0.833 3 G HN 0.419 nan 8.290 nan 0.000 0.512 4 Q N -0.354 119.439 119.800 -0.012 0.000 2.873 4 Q HA 0.473 4.818 4.340 0.009 0.000 0.297 4 Q C -0.185 175.823 176.000 0.013 0.000 1.064 4 Q CA -0.830 54.972 55.803 -0.002 0.000 0.816 4 Q CB 1.312 30.046 28.738 -0.006 0.000 1.481 4 Q HN 0.305 nan 8.270 nan 0.000 0.488 5 Q N -0.212 119.604 119.800 0.028 0.000 2.396 5 Q HA 0.146 4.491 4.340 0.009 0.000 0.221 5 Q C -0.677 175.378 176.000 0.092 0.000 1.025 5 Q CA -0.330 55.511 55.803 0.064 0.000 0.946 5 Q CB 0.199 28.974 28.738 0.061 0.000 1.224 5 Q HN 0.470 nan 8.270 nan 0.000 0.539 6 Y N 0.939 121.236 120.300 -0.005 0.000 2.139 6 Y HA -0.051 4.504 4.550 0.008 0.000 0.368 6 Y C 0.091 175.990 175.900 -0.000 0.000 1.260 6 Y CA 1.225 59.323 58.100 -0.003 0.000 1.696 6 Y CB 0.598 39.057 38.460 -0.001 0.000 1.439 6 Y HN 0.668 nan 8.280 nan 0.000 0.707 7 S N -0.725 114.890 115.700 -0.142 0.000 2.550 7 S HA 0.181 4.656 4.470 0.009 0.000 0.274 7 S C 0.134 174.699 174.600 -0.058 0.000 1.110 7 S CA -0.309 57.859 58.200 -0.054 0.000 1.013 7 S CB 0.408 63.546 63.200 -0.105 0.000 1.152 7 S HN 0.828 nan 8.310 nan 0.000 0.450 8 S N 2.785 118.547 115.700 0.103 0.000 2.392 8 S HA -0.028 4.448 4.470 0.009 0.000 0.232 8 S C 1.299 175.911 174.600 0.020 0.000 1.041 8 S CA 0.737 59.001 58.200 0.106 0.000 1.026 8 S CB -1.042 62.212 63.200 0.091 0.000 0.845 8 S HN 1.893 nan 8.310 nan 0.000 0.465 9 A N 4.239 127.054 122.820 -0.008 0.000 2.561 9 A HA 0.405 4.730 4.320 0.009 0.000 0.234 9 A C -1.453 176.099 177.584 -0.055 0.000 1.055 9 A CA -0.841 51.181 52.037 -0.024 0.000 0.756 9 A CB -0.376 18.609 19.000 -0.025 0.000 0.986 9 A HN 0.486 nan 8.150 nan 0.000 0.505 10 P HA 0.368 nan 4.420 nan 0.000 0.277 10 P C -0.790 176.475 177.300 -0.057 0.000 1.240 10 P CA -0.481 62.590 63.100 -0.048 0.000 0.798 10 P CB 1.038 32.722 31.700 -0.026 0.000 0.979 11 L N 3.148 124.332 121.223 -0.066 0.000 2.334 11 L HA 0.500 4.845 4.340 0.009 0.000 0.277 11 L C 0.105 176.948 176.870 -0.045 0.000 1.075 11 L CA 0.057 54.860 54.840 -0.062 0.000 0.804 11 L CB 0.451 42.466 42.059 -0.073 0.000 1.174 11 L HN 0.412 nan 8.230 nan 0.000 0.438 12 R N 2.129 122.604 120.500 -0.042 0.000 2.781 12 R HA 0.551 4.896 4.340 0.009 0.000 0.269 12 R C -1.219 175.058 176.300 -0.037 0.000 1.025 12 R CA -0.949 55.129 56.100 -0.036 0.000 0.914 12 R CB 2.120 32.400 30.300 -0.032 0.000 1.236 12 R HN 0.586 nan 8.270 nan 0.000 0.465 13 T N 1.188 115.720 114.554 -0.035 0.000 2.794 13 T HA 0.275 4.631 4.350 0.009 0.000 0.280 13 T C 0.172 174.849 174.700 -0.039 0.000 0.987 13 T CA -0.600 61.478 62.100 -0.037 0.000 0.993 13 T CB 1.642 70.489 68.868 -0.035 0.000 0.939 13 T HN 0.168 nan 8.240 nan 0.000 0.449 14 V N 4.052 123.941 119.914 -0.043 0.000 3.032 14 V HA 0.112 4.237 4.120 0.009 0.000 0.307 14 V C 1.062 177.129 176.094 -0.044 0.000 1.097 14 V CA 0.340 62.610 62.300 -0.050 0.000 1.191 14 V CB 0.509 32.297 31.823 -0.058 0.000 0.964 14 V HN 0.842 nan 8.190 nan 0.000 0.494 15 K N 1.385 121.757 120.400 -0.048 0.000 2.567 15 K HA 0.374 4.700 4.320 0.009 0.000 0.218 15 K C 0.086 176.660 176.600 -0.043 0.000 1.440 15 K CA 0.107 56.371 56.287 -0.039 0.000 0.995 15 K CB 1.259 33.740 32.500 -0.033 0.000 1.186 15 K HN 0.799 nan 8.250 nan 0.000 0.593 16 E N 0.366 120.528 120.200 -0.062 0.000 2.412 16 E HA 0.448 4.803 4.350 0.009 0.000 0.279 16 E C -1.357 175.169 176.600 -0.123 0.000 0.984 16 E CA -0.875 55.480 56.400 -0.075 0.000 0.788 16 E CB 3.001 32.656 29.700 -0.076 0.000 1.277 16 E HN -0.282 nan 8.360 nan 0.000 0.455 17 V N 2.071 121.898 119.914 -0.145 0.000 2.524 17 V HA 0.201 4.327 4.120 0.009 0.000 0.297 17 V C -0.824 175.068 176.094 -0.337 0.000 1.035 17 V CA -0.794 61.333 62.300 -0.288 0.000 0.867 17 V CB 1.678 33.325 31.823 -0.294 0.000 1.004 17 V HN 0.526 nan 8.190 nan 0.000 0.426 18 Q N 4.050 123.578 119.800 -0.453 0.000 2.509 18 Q HA 0.460 4.806 4.340 0.009 0.000 0.230 18 Q C -0.694 174.994 176.000 -0.520 0.000 1.089 18 Q CA -0.236 55.273 55.803 -0.490 0.000 0.901 18 Q CB 0.543 28.868 28.738 -0.689 0.000 1.208 18 Q HN 0.574 nan 8.270 nan 0.000 0.529 19 F N 0.163 119.966 119.950 -0.245 0.000 2.440 19 F HA 0.575 5.107 4.527 0.009 0.000 0.323 19 F C 1.522 177.240 175.800 -0.137 0.000 1.192 19 F CA 0.992 58.886 58.000 -0.177 0.000 1.252 19 F CB 0.968 39.894 39.000 -0.125 0.000 1.214 19 F HN 0.524 nan 8.300 nan 0.000 0.578 20 G N 0.197 109.076 108.800 0.132 0.000 2.335 20 G HA2 0.444 4.409 3.960 0.009 0.000 0.291 20 G HA3 0.444 4.409 3.960 0.009 0.000 0.291 20 G C -2.032 172.924 174.900 0.094 0.000 1.261 20 G CA -1.034 44.152 45.100 0.143 0.000 0.871 20 G HN 0.535 nan 8.290 nan 0.000 0.491 21 L N -0.328 120.954 121.223 0.098 0.000 2.303 21 L HA 0.608 4.954 4.340 0.009 0.000 0.266 21 L C -0.751 176.002 176.870 -0.196 0.000 1.011 21 L CA -0.879 53.972 54.840 0.018 0.000 0.818 21 L CB 2.450 44.598 42.059 0.148 0.000 1.326 21 L HN 0.477 nan 8.230 nan 0.000 0.435 22 F N 1.068 120.873 119.950 -0.242 0.000 2.375 22 F HA 0.157 4.689 4.527 0.009 0.000 0.362 22 F C 0.711 176.086 175.800 -0.709 0.000 1.129 22 F CA -0.879 56.890 58.000 -0.386 0.000 1.154 22 F CB 1.388 40.285 39.000 -0.172 0.000 1.205 22 F HN 0.493 nan 8.300 nan 0.000 0.513 23 S N 5.294 120.436 115.700 -0.930 0.000 2.533 23 S HA 0.064 4.539 4.470 0.009 0.000 0.282 23 S C -1.531 172.836 174.600 -0.388 0.000 1.304 23 S CA -1.251 56.208 58.200 -1.235 0.000 1.063 23 S CB 0.898 63.586 63.200 -0.852 0.000 0.881 23 S HN 0.474 nan 8.310 nan 0.000 0.493 24 P HA -0.151 nan 4.420 nan 0.000 0.222 24 P C 0.751 178.018 177.300 -0.056 0.000 1.142 24 P CA 1.161 64.238 63.100 -0.039 0.000 0.788 24 P CB 0.186 31.927 31.700 0.068 0.000 0.767 25 E N 0.413 120.588 120.200 -0.041 0.000 2.016 25 E HA -0.159 4.197 4.350 0.009 0.000 0.190 25 E C 2.214 178.745 176.600 -0.115 0.000 0.985 25 E CA 1.105 57.480 56.400 -0.041 0.000 0.802 25 E CB -0.795 28.920 29.700 0.025 0.000 0.762 25 E HN 0.350 nan 8.360 nan 0.000 0.448 26 E N 0.236 120.347 120.200 -0.149 0.000 2.160 26 E HA -0.173 4.183 4.350 0.009 0.000 0.195 26 E C 1.851 178.251 176.600 -0.334 0.000 0.991 26 E CA 1.078 57.369 56.400 -0.182 0.000 0.810 26 E CB 0.137 29.768 29.700 -0.115 0.000 0.742 26 E HN 0.060 nan 8.360 nan 0.000 0.466 27 V N 1.047 120.701 119.914 -0.433 0.000 2.392 27 V HA -0.264 3.862 4.120 0.009 0.000 0.249 27 V C 2.345 178.252 176.094 -0.312 0.000 1.059 27 V CA 2.153 64.136 62.300 -0.529 0.000 1.051 27 V CB -0.509 31.100 31.823 -0.356 0.000 0.658 27 V HN 0.272 nan 8.190 nan 0.000 0.455 28 R N 0.111 120.445 120.500 -0.278 0.000 2.080 28 R HA 0.078 4.424 4.340 0.009 0.000 0.222 28 R C 2.533 178.673 176.300 -0.268 0.000 1.107 28 R CA 1.155 57.020 56.100 -0.391 0.000 0.980 28 R CB -0.645 29.407 30.300 -0.413 0.000 0.879 28 R HN 0.479 nan 8.270 nan 0.000 0.439 29 A N 1.711 124.415 122.820 -0.194 0.000 1.903 29 A HA -0.207 4.118 4.320 0.009 0.000 0.219 29 A C 2.156 179.668 177.584 -0.119 0.000 1.191 29 A CA 1.501 53.459 52.037 -0.132 0.000 0.638 29 A CB -0.582 18.359 19.000 -0.099 0.000 0.823 29 A HN 0.190 nan 8.150 nan 0.000 0.451 30 I N 0.006 120.488 120.570 -0.146 0.000 2.162 30 I HA -0.125 4.050 4.170 0.009 0.000 0.238 30 I C 1.784 177.861 176.117 -0.066 0.000 1.076 30 I CA 0.780 62.015 61.300 -0.109 0.000 1.353 30 I CB -0.510 37.391 38.000 -0.166 0.000 1.063 30 I HN 0.491 nan 8.210 nan 0.000 0.408 31 S N 0.848 116.502 115.700 -0.076 0.000 2.516 31 S HA -0.077 4.399 4.470 0.009 0.000 0.285 31 S C 0.681 175.284 174.600 0.004 0.000 1.312 31 S CA 0.527 58.731 58.200 0.007 0.000 1.026 31 S CB 0.902 64.110 63.200 0.013 0.000 0.801 31 S HN 0.283 nan 8.310 nan 0.000 0.504 32 V N -0.997 118.947 119.914 0.049 0.000 3.380 32 V HA 0.658 4.783 4.120 0.009 0.000 0.277 32 V C 0.725 176.848 176.094 0.048 0.000 1.590 32 V CA 0.173 62.488 62.300 0.025 0.000 1.019 32 V CB -0.978 30.849 31.823 0.007 0.000 0.828 32 V HN 1.124 nan 8.190 nan 0.000 0.427 33 A N 0.806 123.678 122.820 0.086 0.000 2.263 33 A HA 0.875 5.201 4.320 0.009 0.000 0.318 33 A C 0.637 178.303 177.584 0.137 0.000 1.111 33 A CA -0.012 52.078 52.037 0.089 0.000 0.901 33 A CB 1.762 20.808 19.000 0.077 0.000 1.280 33 A HN 0.277 nan 8.150 nan 0.000 0.503 34 K N -0.969 119.493 120.400 0.102 0.000 2.631 34 K HA 0.397 4.722 4.320 0.009 0.000 0.200 34 K C -0.778 175.828 176.600 0.009 0.000 1.481 34 K CA 0.083 56.430 56.287 0.099 0.000 1.087 34 K CB 0.262 32.826 32.500 0.106 0.000 1.502 34 K HN 0.571 nan 8.250 nan 0.000 0.560 35 I N 2.815 123.407 120.570 0.038 0.000 8.325 35 I HA -0.331 3.844 4.170 0.009 0.000 0.126 35 I C 0.106 176.241 176.117 0.030 0.000 1.788 35 I CA 0.492 61.815 61.300 0.038 0.000 2.146 35 I CB -0.312 37.689 38.000 0.002 0.000 3.690 35 I HN 0.333 nan 8.210 nan 0.000 0.201 36 R N 3.671 124.237 120.500 0.110 0.000 2.453 36 R HA 0.354 4.699 4.340 0.009 0.000 0.233 36 R C -0.412 175.858 176.300 -0.050 0.000 0.895 36 R CA 0.222 56.349 56.100 0.046 0.000 1.028 36 R CB 0.454 30.822 30.300 0.113 0.000 1.255 36 R HN 0.325 nan 8.270 nan 0.000 0.571 37 F N 2.129 122.070 119.950 -0.015 0.000 2.458 37 F HA 0.355 4.888 4.527 0.009 0.000 0.336 37 F C -1.476 174.319 175.800 -0.009 0.000 1.114 37 F CA -2.747 55.246 58.000 -0.011 0.000 0.987 37 F CB 1.908 40.904 39.000 -0.006 0.000 1.130 37 F HN -0.195 nan 8.300 nan 0.000 0.458 38 P HA -0.050 nan 4.420 nan 0.000 0.231 38 P C -0.174 177.185 177.300 0.099 0.000 1.168 38 P CA 0.701 63.840 63.100 0.065 0.000 0.779 38 P CB 0.399 32.107 31.700 0.013 0.000 0.844 39 E N -0.282 120.010 120.200 0.153 0.000 2.428 39 E HA 0.063 4.418 4.350 0.009 0.000 0.257 39 E C 0.807 177.465 176.600 0.097 0.000 1.197 39 E CA 0.387 56.862 56.400 0.125 0.000 0.974 39 E CB 0.383 30.176 29.700 0.154 0.000 0.976 39 E HN 0.061 nan 8.360 nan 0.000 0.463 40 T N 0.340 114.936 114.554 0.070 0.000 3.480 40 T HA 0.079 4.434 4.350 0.009 0.000 0.229 40 T C 1.575 176.290 174.700 0.025 0.000 0.944 40 T CA 0.425 62.556 62.100 0.052 0.000 1.388 40 T CB 0.081 68.985 68.868 0.060 0.000 1.180 40 T HN 0.360 nan 8.240 nan 0.000 0.414 41 M N 0.176 119.787 119.600 0.019 0.000 2.564 41 M HA 0.279 4.764 4.480 0.009 0.000 0.254 41 M C -0.255 176.039 176.300 -0.009 0.000 1.299 41 M CA -0.032 55.269 55.300 0.002 0.000 1.143 41 M CB 0.517 33.121 32.600 0.006 0.000 1.427 41 M HN 0.030 nan 8.290 nan 0.000 0.538 42 D N 3.000 123.398 120.400 -0.003 0.000 2.423 42 D HA 0.104 4.749 4.640 0.009 0.000 0.238 42 D C -0.375 175.908 176.300 -0.028 0.000 1.142 42 D CA 0.795 54.789 54.000 -0.010 0.000 0.884 42 D CB 0.693 41.493 40.800 0.001 0.000 1.199 42 D HN 0.263 nan 8.370 nan 0.000 0.438 43 E N 0.316 120.498 120.200 -0.030 0.000 2.642 43 E HA 0.150 4.505 4.350 0.009 0.000 0.284 43 E C -0.729 175.853 176.600 -0.030 0.000 1.039 43 E CA -0.425 55.948 56.400 -0.045 0.000 0.777 43 E CB 0.988 30.655 29.700 -0.055 0.000 1.473 43 E HN 0.252 nan 8.360 nan 0.000 0.388 44 T N 2.011 116.552 114.554 -0.022 0.000 4.146 44 T HA -0.302 4.053 4.350 0.009 0.000 0.336 44 T C 0.807 175.501 174.700 -0.010 0.000 0.762 44 T CA 1.672 63.764 62.100 -0.014 0.000 1.914 44 T CB -1.240 67.618 68.868 -0.016 0.000 1.897 44 T HN 0.850 nan 8.240 nan 0.000 0.862 45 Q N -2.514 117.281 119.800 -0.008 0.000 5.585 45 Q HA -0.174 4.172 4.340 0.009 0.000 0.279 45 Q C 0.360 176.356 176.000 -0.007 0.000 2.184 45 Q CA 1.611 57.411 55.803 -0.005 0.000 0.437 45 Q CB -1.868 26.869 28.738 -0.003 0.000 0.260 45 Q HN 0.651 nan 8.270 nan 0.000 0.712 46 T N 3.504 118.052 114.554 -0.011 0.000 2.596 46 T HA -0.063 4.293 4.350 0.009 0.000 0.252 46 T C 0.241 174.933 174.700 -0.013 0.000 1.033 46 T CA 0.637 62.729 62.100 -0.012 0.000 1.215 46 T CB -0.032 68.826 68.868 -0.016 0.000 1.011 46 T HN 0.099 nan 8.240 nan 0.000 0.498 47 R N 2.070 122.564 120.500 -0.009 0.000 2.643 47 R HA 0.468 4.814 4.340 0.009 0.000 0.270 47 R C 0.723 177.017 176.300 -0.011 0.000 1.061 47 R CA 0.282 56.377 56.100 -0.008 0.000 1.107 47 R CB 0.484 30.781 30.300 -0.004 0.000 0.999 47 R HN 0.843 nan 8.270 nan 0.000 0.460 48 A N 2.007 124.820 122.820 -0.012 0.000 3.528 48 A HA 0.271 4.596 4.320 0.009 0.000 0.068 48 A C -1.393 176.183 177.584 -0.013 0.000 1.348 48 A CA -0.579 51.450 52.037 -0.014 0.000 1.666 48 A CB 0.602 19.590 19.000 -0.020 0.000 1.615 48 A HN 0.525 nan 8.150 nan 0.000 0.716 49 K N -0.471 119.916 120.400 -0.021 0.000 2.622 49 K HA 0.603 4.928 4.320 0.009 0.000 0.273 49 K C -1.573 175.002 176.600 -0.042 0.000 0.957 49 K CA -0.399 55.875 56.287 -0.020 0.000 0.861 49 K CB 1.867 34.362 32.500 -0.009 0.000 1.405 49 K HN 0.583 nan 8.250 nan 0.000 0.406 50 I N 0.067 120.605 120.570 -0.054 0.000 2.924 50 I HA 0.244 4.420 4.170 0.009 0.000 0.316 50 I C 1.621 177.698 176.117 -0.066 0.000 1.014 50 I CA -0.555 60.681 61.300 -0.107 0.000 1.106 50 I CB 1.310 39.185 38.000 -0.208 0.000 1.311 50 I HN 0.911 nan 8.210 nan 0.000 0.502 51 G N 1.851 110.600 108.800 -0.086 0.000 2.740 51 G HA2 -0.003 3.963 3.960 0.009 0.000 0.208 51 G HA3 -0.003 3.963 3.960 0.009 0.000 0.208 51 G C 0.873 175.806 174.900 0.055 0.000 1.148 51 G CA 0.559 45.652 45.100 -0.012 0.000 0.795 51 G HN 0.865 nan 8.290 nan 0.000 0.526 52 G N 0.220 109.062 108.800 0.070 0.000 3.107 52 G HA2 0.318 4.283 3.960 0.009 0.000 0.155 52 G HA3 0.318 4.283 3.960 0.009 0.000 0.155 52 G C 0.687 175.637 174.900 0.083 0.000 1.875 52 G CA -0.486 44.708 45.100 0.155 0.000 1.004 52 G HN 0.296 nan 8.290 nan 0.000 0.480 53 L N 0.535 121.801 121.223 0.072 0.000 2.416 53 L HA 0.068 4.413 4.340 0.009 0.000 0.212 53 L C 0.417 177.304 176.870 0.028 0.000 1.200 53 L CA -0.206 54.659 54.840 0.042 0.000 0.841 53 L CB -0.201 41.884 42.059 0.043 0.000 1.299 53 L HN 0.678 nan 8.230 nan 0.000 0.538 54 N N 0.837 119.546 118.700 0.015 0.000 2.391 54 N HA -0.237 4.508 4.740 0.009 0.000 0.316 54 N C -0.606 174.912 175.510 0.014 0.000 1.189 54 N CA 1.277 54.332 53.050 0.009 0.000 0.861 54 N CB -0.364 38.122 38.487 -0.001 0.000 1.098 54 N HN 0.822 nan 8.380 nan 0.000 0.558 55 D N 0.931 121.343 120.400 0.019 0.000 1.818 55 D HA 0.009 4.654 4.640 0.009 0.000 0.138 55 D C -1.858 174.454 176.300 0.020 0.000 1.475 55 D CA 0.496 54.507 54.000 0.017 0.000 0.708 55 D CB -0.872 39.932 40.800 0.007 0.000 3.175 55 D HN 0.214 nan 8.370 nan 0.000 0.196 56 P HA -0.249 nan 4.420 nan 0.000 0.227 56 P C 0.506 177.814 177.300 0.015 0.000 0.926 56 P CA 3.162 66.272 63.100 0.018 0.000 1.077 56 P CB -0.057 31.660 31.700 0.030 0.000 0.699 57 R N -3.865 116.649 120.500 0.022 0.000 2.591 57 R HA 0.255 4.600 4.340 0.009 0.000 0.288 57 R C 0.768 177.091 176.300 0.039 0.000 0.947 57 R CA -0.314 55.792 56.100 0.010 0.000 1.085 57 R CB -0.083 30.207 30.300 -0.017 0.000 1.618 57 R HN 0.123 nan 8.270 nan 0.000 0.524 58 L N 0.758 122.027 121.223 0.076 0.000 2.435 58 L HA 0.087 4.432 4.340 0.009 0.000 0.258 58 L C 1.626 178.582 176.870 0.143 0.000 1.257 58 L CA 0.360 55.288 54.840 0.146 0.000 0.823 58 L CB -0.223 41.888 42.059 0.086 0.000 1.111 58 L HN 0.129 nan 8.230 nan 0.000 0.543 59 G N -0.417 108.466 108.800 0.140 0.000 2.443 59 G HA2 0.300 4.265 3.960 0.009 0.000 0.286 59 G HA3 0.300 4.265 3.960 0.009 0.000 0.286 59 G C 0.047 174.973 174.900 0.042 0.000 1.393 59 G CA 0.383 45.532 45.100 0.081 0.000 1.080 59 G HN 0.856 nan 8.290 nan 0.000 0.566 60 S N -2.393 113.321 115.700 0.022 0.000 2.843 60 S HA 0.736 5.211 4.470 0.009 0.000 0.301 60 S C -0.354 174.247 174.600 0.002 0.000 1.206 60 S CA -0.755 57.452 58.200 0.012 0.000 0.875 60 S CB 1.016 64.225 63.200 0.015 0.000 1.248 60 S HN 0.587 nan 8.310 nan 0.000 0.555 61 I N -0.619 119.951 120.570 0.000 0.000 3.911 61 I HA 0.444 4.619 4.170 0.009 0.000 0.262 61 I C -0.524 175.591 176.117 -0.002 0.000 1.097 61 I CA -0.970 60.328 61.300 -0.004 0.000 1.318 61 I CB 0.588 38.584 38.000 -0.006 0.000 1.350 61 I HN 0.702 nan 8.210 nan 0.000 0.439 62 D N 1.766 122.164 120.400 -0.004 0.000 2.903 62 D HA -0.215 4.430 4.640 0.009 0.000 0.228 62 D C -0.218 176.081 176.300 -0.002 0.000 1.178 62 D CA 1.089 55.087 54.000 -0.003 0.000 0.740 62 D CB -0.636 40.163 40.800 -0.002 0.000 1.077 62 D HN 0.523 nan 8.370 nan 0.000 0.419 63 R N -1.104 119.395 120.500 -0.002 0.000 3.205 63 R HA -0.183 4.162 4.340 0.009 0.000 0.249 63 R C -0.739 175.562 176.300 0.001 0.000 0.937 63 R CA 0.483 56.583 56.100 -0.001 0.000 0.641 63 R CB -1.614 28.685 30.300 -0.001 0.000 1.114 63 R HN 0.226 nan 8.270 nan 0.000 0.451 64 N N 1.369 120.071 118.700 0.003 0.000 2.443 64 N HA 0.174 4.919 4.740 0.009 0.000 0.269 64 N C 1.337 176.853 175.510 0.009 0.000 0.985 64 N CA -0.580 52.473 53.050 0.005 0.000 0.921 64 N CB 1.231 39.720 38.487 0.005 0.000 1.195 64 N HN 0.101 nan 8.380 nan 0.000 0.492 65 L N 0.800 122.029 121.223 0.010 0.000 2.197 65 L HA -0.186 4.159 4.340 0.009 0.000 0.215 65 L C 0.863 177.745 176.870 0.020 0.000 1.095 65 L CA 1.343 56.191 54.840 0.014 0.000 0.764 65 L CB -0.313 41.753 42.059 0.012 0.000 0.897 65 L HN 0.322 nan 8.230 nan 0.000 0.436 66 K N 0.011 120.421 120.400 0.017 0.000 2.524 66 K HA 0.029 4.354 4.320 0.009 0.000 0.279 66 K C -0.342 176.279 176.600 0.035 0.000 0.993 66 K CA 0.223 56.522 56.287 0.020 0.000 1.030 66 K CB 0.613 33.121 32.500 0.013 0.000 0.891 66 K HN 0.185 nan 8.250 nan 0.000 0.488 67 C N 3.765 123.090 119.300 0.040 0.000 3.038 67 C HA 0.032 4.497 4.460 0.009 0.000 0.379 67 C C -0.711 174.297 174.990 0.030 0.000 1.061 67 C CA -0.369 58.693 59.018 0.073 0.000 1.314 67 C CB -0.591 27.227 27.740 0.130 0.000 1.655 67 C HN 1.061 nan 8.230 nan 0.000 0.489 68 Q N 3.764 123.545 119.800 -0.032 0.000 2.426 68 Q HA -0.190 4.155 4.340 0.009 0.000 0.359 68 Q C 0.956 176.909 176.000 -0.078 0.000 1.381 68 Q CA 1.223 56.957 55.803 -0.115 0.000 1.060 68 Q CB -0.690 27.843 28.738 -0.341 0.000 1.253 68 Q HN 1.131 nan 8.270 nan 0.000 0.363 69 T N -3.242 111.292 114.554 -0.033 0.000 3.866 69 T HA -0.318 4.037 4.350 0.009 0.000 0.344 69 T C 0.914 175.610 174.700 -0.006 0.000 0.760 69 T CA 1.201 63.291 62.100 -0.017 0.000 1.852 69 T CB -1.874 66.981 68.868 -0.022 0.000 1.891 69 T HN 0.868 nan 8.240 nan 0.000 0.783 70 C N -0.593 118.712 119.300 0.007 0.000 3.183 70 C HA 0.382 4.847 4.460 0.009 0.000 0.285 70 C C 1.628 176.648 174.990 0.050 0.000 1.313 70 C CA 0.362 59.403 59.018 0.037 0.000 1.711 70 C CB -0.395 27.390 27.740 0.076 0.000 2.135 70 C HN 0.778 nan 8.230 nan 0.000 0.651 71 Q N 0.769 120.592 119.800 0.040 0.000 1.932 71 Q HA -0.374 3.972 4.340 0.009 0.000 0.407 71 Q C 0.847 176.872 176.000 0.042 0.000 0.787 71 Q CA 1.866 57.690 55.803 0.035 0.000 0.852 71 Q CB -1.230 27.523 28.738 0.025 0.000 3.472 71 Q HN 0.563 nan 8.270 nan 0.000 0.793 72 E N -1.143 119.076 120.200 0.032 0.000 4.540 72 E HA -0.302 4.053 4.350 0.009 0.000 0.175 72 E C 0.688 177.299 176.600 0.020 0.000 1.236 72 E CA 2.556 58.972 56.400 0.027 0.000 2.396 72 E CB -1.743 27.978 29.700 0.035 0.000 1.797 72 E HN 1.539 nan 8.360 nan 0.000 0.437 73 G N 0.503 109.317 108.800 0.023 0.000 2.612 73 G HA2 -0.123 3.842 3.960 0.009 0.000 0.686 73 G HA3 -0.123 3.842 3.960 0.009 0.000 0.686 73 G C 0.014 174.917 174.900 0.007 0.000 1.274 73 G CA -0.057 45.051 45.100 0.014 0.000 0.849 73 G HN 0.150 nan 8.290 nan 0.000 0.595 74 M N 2.084 121.684 119.600 0.001 0.000 3.583 74 M HA 0.131 4.617 4.480 0.009 0.000 0.177 74 M C 0.612 176.905 176.300 -0.012 0.000 1.792 74 M CA 0.800 56.095 55.300 -0.008 0.000 1.798 74 M CB -1.026 31.568 32.600 -0.010 0.000 1.315 74 M HN 0.626 nan 8.290 nan 0.000 0.518 75 N N 1.666 120.358 118.700 -0.013 0.000 7.111 75 N HA -0.063 4.683 4.740 0.009 0.000 0.096 75 N C -0.303 175.200 175.510 -0.011 0.000 0.911 75 N CA 0.457 53.498 53.050 -0.015 0.000 1.266 75 N CB 0.502 38.981 38.487 -0.013 0.000 1.288 75 N HN 0.632 nan 8.380 nan 0.000 1.263 76 E N 1.417 121.608 120.200 -0.015 0.000 4.129 76 E HA -0.207 4.149 4.350 0.009 0.000 0.354 76 E C -1.028 175.567 176.600 -0.008 0.000 0.673 76 E CA 1.202 57.596 56.400 -0.009 0.000 1.347 76 E CB -1.679 28.021 29.700 -0.000 0.000 1.722 76 E HN 0.548 nan 8.360 nan 0.000 0.410 77 C N 3.015 122.301 119.300 -0.023 0.000 2.138 77 C HA 0.447 4.912 4.460 0.009 0.000 0.398 77 C C -1.923 172.985 174.990 -0.135 0.000 1.029 77 C CA -1.605 57.388 59.018 -0.043 0.000 1.426 77 C CB -0.559 27.166 27.740 -0.025 0.000 1.652 77 C HN 0.223 nan 8.230 nan 0.000 0.486 78 P HA 0.113 nan 4.420 nan 0.000 0.254 78 P C 0.779 177.847 177.300 -0.386 0.000 1.186 78 P CA 0.903 63.904 63.100 -0.166 0.000 0.868 78 P CB 0.022 31.679 31.700 -0.071 0.000 0.856 79 G N 4.367 113.009 108.800 -0.264 0.000 2.168 79 G HA2 -0.103 3.862 3.960 0.009 0.000 0.240 79 G HA3 -0.103 3.862 3.960 0.009 0.000 0.240 79 G C -0.113 174.620 174.900 -0.278 0.000 1.080 79 G CA -0.222 44.712 45.100 -0.276 0.000 0.877 79 G HN 0.587 nan 8.290 nan 0.000 0.446 80 H N 1.707 120.815 119.070 0.064 0.000 2.467 80 H HA 0.292 4.853 4.556 0.009 0.000 0.326 80 H C -0.067 175.338 175.328 0.128 0.000 1.094 80 H CA -0.692 55.439 56.048 0.138 0.000 1.253 80 H CB 1.035 30.851 29.762 0.089 0.000 1.439 80 H HN 0.304 nan 8.280 nan 0.000 0.479 81 F N 0.959 120.993 119.950 0.139 0.000 2.459 81 F HA 0.269 4.802 4.527 0.009 0.000 0.346 81 F C 1.468 177.310 175.800 0.070 0.000 1.128 81 F CA 0.449 58.501 58.000 0.086 0.000 1.268 81 F CB 0.719 39.756 39.000 0.061 0.000 1.161 81 F HN 0.566 nan 8.300 nan 0.000 0.583 82 G N 0.228 109.131 108.800 0.172 0.000 2.702 82 G HA2 0.449 4.415 3.960 0.009 0.000 0.254 82 G HA3 0.449 4.415 3.960 0.009 0.000 0.254 82 G C -1.856 173.153 174.900 0.182 0.000 1.380 82 G CA -0.291 44.891 45.100 0.136 0.000 1.042 82 G HN 0.684 nan 8.290 nan 0.000 0.557 83 H N -1.657 117.427 119.070 0.023 0.000 2.930 83 H HA 0.710 5.271 4.556 0.009 0.000 0.371 83 H C -1.544 173.783 175.328 -0.002 0.000 1.169 83 H CA -0.935 55.115 56.048 0.003 0.000 1.157 83 H CB 1.768 31.526 29.762 -0.007 0.000 1.789 83 H HN 0.525 nan 8.280 nan 0.000 0.547 84 I N 4.011 124.260 120.570 -0.535 0.000 2.667 84 I HA 0.223 4.398 4.170 0.009 0.000 0.288 84 I C -1.694 174.172 176.117 -0.418 0.000 1.267 84 I CA -0.541 60.486 61.300 -0.455 0.000 1.055 84 I CB 1.532 39.413 38.000 -0.199 0.000 1.294 84 I HN 0.610 nan 8.210 nan 0.000 0.429 85 D N 8.497 128.666 120.400 -0.386 0.000 2.198 85 D HA 0.465 5.110 4.640 0.009 0.000 0.245 85 D C -0.307 175.944 176.300 -0.082 0.000 1.079 85 D CA -0.085 53.819 54.000 -0.161 0.000 0.854 85 D CB 2.272 43.025 40.800 -0.078 0.000 1.148 85 D HN 0.394 nan 8.370 nan 0.000 0.456 86 L N 1.248 122.449 121.223 -0.037 0.000 2.399 86 L HA 0.488 4.833 4.340 0.009 0.000 0.265 86 L C 1.439 178.309 176.870 -0.000 0.000 1.089 86 L CA -0.746 54.083 54.840 -0.018 0.000 0.802 86 L CB 0.914 42.972 42.059 -0.000 0.000 1.180 86 L HN 0.371 nan 8.230 nan 0.000 0.454 87 A N 1.882 124.702 122.820 -0.001 0.000 2.385 87 A HA 0.087 4.412 4.320 0.009 0.000 0.197 87 A C 0.633 178.223 177.584 0.009 0.000 1.531 87 A CA 0.526 52.564 52.037 0.001 0.000 0.620 87 A CB -0.249 18.744 19.000 -0.012 0.000 1.090 87 A HN 0.689 nan 8.150 nan 0.000 0.497 88 K N 1.691 122.095 120.400 0.007 0.000 2.379 88 K HA 0.229 4.554 4.320 0.009 0.000 0.284 88 K C -2.417 174.206 176.600 0.039 0.000 1.044 88 K CA -1.621 54.677 56.287 0.019 0.000 0.974 88 K CB 0.257 32.764 32.500 0.013 0.000 0.962 88 K HN 0.363 nan 8.250 nan 0.000 0.474 89 P HA -0.112 nan 4.420 nan 0.000 0.264 89 P C -0.503 176.868 177.300 0.118 0.000 1.173 89 P CA 0.141 63.287 63.100 0.076 0.000 0.761 89 P CB 0.529 32.272 31.700 0.071 0.000 0.794 90 V N 3.640 123.638 119.914 0.140 0.000 2.715 90 V HA 0.320 4.446 4.120 0.009 0.000 0.310 90 V C 0.489 176.770 176.094 0.312 0.000 1.054 90 V CA -0.664 61.758 62.300 0.203 0.000 0.928 90 V CB 1.233 33.139 31.823 0.138 0.000 1.007 90 V HN 0.332 nan 8.190 nan 0.000 0.437 91 F N 1.757 121.750 119.950 0.072 0.000 2.444 91 F HA 0.291 4.823 4.527 0.009 0.000 0.331 91 F C 0.596 176.505 175.800 0.182 0.000 1.167 91 F CA -0.282 57.784 58.000 0.109 0.000 1.262 91 F CB 0.203 39.261 39.000 0.097 0.000 1.196 91 F HN 0.541 nan 8.300 nan 0.000 0.583 92 H N 1.843 121.018 119.070 0.175 0.000 2.581 92 H HA 0.366 4.927 4.556 0.009 0.000 0.308 92 H C 0.843 176.270 175.328 0.165 0.000 1.040 92 H CA -0.763 55.397 56.048 0.187 0.000 1.231 92 H CB 0.999 30.898 29.762 0.228 0.000 1.396 92 H HN 0.463 nan 8.280 nan 0.000 0.467 93 V N 3.048 123.211 119.914 0.414 0.000 2.277 93 V HA -0.322 3.803 4.120 0.009 0.000 0.255 93 V C 2.377 178.496 176.094 0.043 0.000 1.074 93 V CA 2.180 64.618 62.300 0.231 0.000 1.058 93 V CB -1.254 30.664 31.823 0.158 0.000 0.656 93 V HN 0.897 nan 8.190 nan 0.000 0.449 94 G N -1.063 107.654 108.800 -0.138 0.000 2.470 94 G HA2 -0.135 3.830 3.960 0.009 0.000 0.220 94 G HA3 -0.135 3.830 3.960 0.009 0.000 0.220 94 G C 1.153 175.481 174.900 -0.954 0.000 1.121 94 G CA 0.823 45.377 45.100 -0.909 0.000 0.766 94 G HN 0.596 nan 8.290 nan 0.000 0.553 95 F N -0.165 119.495 119.950 -0.484 0.000 2.678 95 F HA 0.411 4.943 4.527 0.009 0.000 0.305 95 F C 2.089 177.830 175.800 -0.098 0.000 1.090 95 F CA -0.654 57.171 58.000 -0.291 0.000 1.272 95 F CB 0.197 39.006 39.000 -0.318 0.000 1.060 95 F HN 0.022 nan 8.300 nan 0.000 0.576 96 I N 0.451 121.103 120.570 0.136 0.000 2.127 96 I HA -0.354 3.821 4.170 0.009 0.000 0.241 96 I C 2.730 178.950 176.117 0.173 0.000 1.075 96 I CA 1.529 62.970 61.300 0.235 0.000 1.334 96 I CB -0.695 37.465 38.000 0.266 0.000 1.040 96 I HN 0.169 nan 8.210 nan 0.000 0.405 97 A N 0.585 123.458 122.820 0.088 0.000 1.948 97 A HA -0.221 4.104 4.320 0.009 0.000 0.220 97 A C 2.329 179.955 177.584 0.070 0.000 1.177 97 A CA 1.637 53.711 52.037 0.061 0.000 0.636 97 A CB -0.366 18.634 19.000 0.000 0.000 0.815 97 A HN 0.263 nan 8.150 nan 0.000 0.449 98 K N -0.226 120.223 120.400 0.083 0.000 1.991 98 K HA -0.001 4.324 4.320 0.009 0.000 0.207 98 K C 1.923 178.653 176.600 0.216 0.000 1.045 98 K CA 1.298 57.669 56.287 0.139 0.000 0.937 98 K CB -0.763 31.836 32.500 0.166 0.000 0.720 98 K HN 0.595 nan 8.250 nan 0.000 0.438 99 I N 1.824 122.531 120.570 0.228 0.000 2.113 99 I HA -0.415 3.760 4.170 0.009 0.000 0.242 99 I C 2.284 178.599 176.117 0.331 0.000 1.057 99 I CA 1.730 63.204 61.300 0.290 0.000 1.314 99 I CB -0.510 37.578 38.000 0.146 0.000 1.022 99 I HN 0.216 nan 8.210 nan 0.000 0.408 100 K N 1.340 121.910 120.400 0.283 0.000 1.980 100 K HA -0.255 4.070 4.320 0.009 0.000 0.223 100 K C 1.963 178.750 176.600 0.313 0.000 1.052 100 K CA 1.944 58.397 56.287 0.276 0.000 0.974 100 K CB -0.475 32.163 32.500 0.229 0.000 0.734 100 K HN 0.261 nan 8.250 nan 0.000 0.447 101 K N 0.794 121.346 120.400 0.253 0.000 2.304 101 K HA -0.173 4.152 4.320 0.009 0.000 0.204 101 K C 2.010 178.826 176.600 0.360 0.000 1.044 101 K CA 1.304 57.692 56.287 0.169 0.000 0.932 101 K CB -0.230 31.979 32.500 -0.485 0.000 0.735 101 K HN 0.041 nan 8.250 nan 0.000 0.468 102 V N 0.161 120.309 119.914 0.390 0.000 2.379 102 V HA -0.222 3.904 4.120 0.009 0.000 0.243 102 V C 2.367 178.611 176.094 0.251 0.000 1.035 102 V CA 1.329 63.825 62.300 0.328 0.000 1.035 102 V CB -0.260 31.632 31.823 0.116 0.000 0.673 102 V HN 0.410 nan 8.190 nan 0.000 0.457 103 C N 0.396 119.881 119.300 0.309 0.000 2.453 103 C HA -0.129 4.336 4.460 0.009 0.000 0.277 103 C C 2.602 177.727 174.990 0.224 0.000 1.262 103 C CA 0.878 60.066 59.018 0.283 0.000 1.718 103 C CB -1.058 26.871 27.740 0.314 0.000 2.031 103 C HN 0.617 nan 8.230 nan 0.000 0.480 104 E N -0.886 119.469 120.200 0.259 0.000 2.401 104 E HA -0.205 4.150 4.350 0.009 0.000 0.199 104 E C 1.914 178.631 176.600 0.195 0.000 1.023 104 E CA 0.893 57.415 56.400 0.203 0.000 0.859 104 E CB -0.168 29.692 29.700 0.267 0.000 0.780 104 E HN 0.696 nan 8.360 nan 0.000 0.523 105 C N 0.358 119.824 119.300 0.278 0.000 2.611 105 C HA 0.154 4.619 4.460 0.009 0.000 0.282 105 C C 0.753 175.838 174.990 0.158 0.000 1.321 105 C CA -0.208 58.962 59.018 0.253 0.000 1.747 105 C CB 0.135 28.096 27.740 0.369 0.000 2.124 105 C HN -0.017 nan 8.230 nan 0.000 0.531 106 V N 0.345 120.341 119.914 0.136 0.000 2.680 106 V HA 0.339 4.465 4.120 0.009 0.000 0.309 106 V C -0.117 176.040 176.094 0.105 0.000 1.052 106 V CA -0.828 61.528 62.300 0.093 0.000 0.908 106 V CB 1.163 33.011 31.823 0.041 0.000 1.001 106 V HN 0.339 nan 8.190 nan 0.000 0.431 107 C N 6.812 126.171 119.300 0.098 0.000 2.593 107 C HA 0.442 4.907 4.460 0.009 0.000 0.409 107 C C 0.632 175.700 174.990 0.129 0.000 1.304 107 C CA -0.701 58.387 59.018 0.116 0.000 2.007 107 C CB -0.282 27.528 27.740 0.118 0.000 2.614 107 C HN 0.793 nan 8.230 nan 0.000 0.585 108 M N 6.021 125.695 119.600 0.124 0.000 2.232 108 M HA 0.250 4.735 4.480 0.009 0.000 0.321 108 M C 1.111 177.453 176.300 0.071 0.000 1.101 108 M CA 0.852 56.178 55.300 0.044 0.000 1.181 108 M CB -0.180 32.383 32.600 -0.062 0.000 1.432 108 M HN 0.941 nan 8.290 nan 0.000 0.457 109 H N -0.084 119.077 119.070 0.152 0.000 4.692 109 H HA -0.187 4.375 4.556 0.009 0.000 0.063 109 H C 1.280 176.664 175.328 0.093 0.000 0.623 109 H CA 1.918 58.033 56.048 0.113 0.000 0.906 109 H CB -1.427 28.385 29.762 0.084 0.000 0.412 109 H HN 0.902 nan 8.280 nan 0.000 0.813 110 C N 3.229 122.657 119.300 0.212 0.000 2.754 110 C HA 0.670 5.136 4.460 0.009 0.000 0.276 110 C C 1.547 176.593 174.990 0.093 0.000 1.264 110 C CA 0.915 59.998 59.018 0.108 0.000 1.700 110 C CB -0.840 26.941 27.740 0.068 0.000 1.885 110 C HN 1.213 nan 8.230 nan 0.000 0.607 111 G N 2.023 110.898 108.800 0.125 0.000 2.306 111 G HA2 -0.235 3.730 3.960 0.009 0.000 0.274 111 G HA3 -0.235 3.730 3.960 0.009 0.000 0.274 111 G C -0.262 174.664 174.900 0.043 0.000 0.890 111 G CA 1.069 46.227 45.100 0.097 0.000 1.298 111 G HN 0.976 nan 8.290 nan 0.000 0.445 112 K N -0.143 120.285 120.400 0.046 0.000 2.409 112 K HA 0.689 5.014 4.320 0.009 0.000 0.252 112 K C 0.269 176.891 176.600 0.037 0.000 1.036 112 K CA -1.306 54.995 56.287 0.024 0.000 0.871 112 K CB 1.139 33.656 32.500 0.028 0.000 1.374 112 K HN 0.135 nan 8.250 nan 0.000 0.459 113 L N 3.959 125.201 121.223 0.031 0.000 2.360 113 L HA 0.156 4.502 4.340 0.009 0.000 0.276 113 L C 1.253 178.155 176.870 0.054 0.000 1.121 113 L CA -0.234 54.633 54.840 0.046 0.000 0.845 113 L CB 0.606 42.690 42.059 0.041 0.000 1.143 113 L HN 0.686 nan 8.230 nan 0.000 0.452 114 L N 4.483 125.742 121.223 0.059 0.000 2.556 114 L HA -0.081 4.264 4.340 0.009 0.000 0.230 114 L C 0.255 177.157 176.870 0.052 0.000 1.163 114 L CA 0.983 55.855 54.840 0.054 0.000 0.819 114 L CB -0.599 41.487 42.059 0.046 0.000 0.939 114 L HN 0.506 nan 8.230 nan 0.000 0.452 115 L N -1.784 119.472 121.223 0.055 0.000 2.469 115 L HA 0.530 4.875 4.340 0.009 0.000 0.256 115 L C -1.286 175.614 176.870 0.051 0.000 1.006 115 L CA -0.800 54.075 54.840 0.058 0.000 0.832 115 L CB 2.474 44.559 42.059 0.044 0.000 1.421 115 L HN -0.203 nan 8.230 nan 0.000 0.410 116 D N -0.550 119.882 120.400 0.052 0.000 2.610 116 D HA 0.202 4.847 4.640 0.009 0.000 0.271 116 D C 0.092 176.308 176.300 -0.140 0.000 1.174 116 D CA -0.503 53.468 54.000 -0.049 0.000 0.949 116 D CB 1.820 42.583 40.800 -0.062 0.000 1.430 116 D HN 0.494 nan 8.370 nan 0.000 0.467 117 E N -0.350 119.697 120.200 -0.255 0.000 2.253 117 E HA -0.255 4.101 4.350 0.009 0.000 0.202 117 E C 1.518 178.021 176.600 -0.161 0.000 1.014 117 E CA 1.400 57.678 56.400 -0.202 0.000 0.823 117 E CB -0.221 29.351 29.700 -0.214 0.000 0.736 117 E HN 0.394 nan 8.360 nan 0.000 0.478 118 H N 0.396 119.472 119.070 0.009 0.000 2.289 118 H HA -0.115 4.447 4.556 0.009 0.000 0.294 118 H C 1.084 176.416 175.328 0.007 0.000 1.095 118 H CA 1.171 57.223 56.048 0.007 0.000 1.256 118 H CB -0.671 29.095 29.762 0.006 0.000 1.359 118 H HN 0.145 nan 8.280 nan 0.000 0.487 119 N N 1.617 120.388 118.700 0.118 0.000 2.497 119 N HA -0.088 4.657 4.740 0.009 0.000 0.268 119 N C 1.059 176.591 175.510 0.036 0.000 1.171 119 N CA 0.239 53.328 53.050 0.066 0.000 0.948 119 N CB 1.157 39.675 38.487 0.052 0.000 1.069 119 N HN 0.420 nan 8.380 nan 0.000 0.460 120 E N 3.266 123.484 120.200 0.030 0.000 2.358 120 E HA -0.021 4.334 4.350 0.009 0.000 0.195 120 E C 1.231 177.840 176.600 0.014 0.000 1.010 120 E CA 0.422 56.834 56.400 0.019 0.000 0.856 120 E CB 0.253 29.963 29.700 0.018 0.000 0.795 120 E HN 0.653 nan 8.360 nan 0.000 0.504 121 L N 0.124 121.356 121.223 0.014 0.000 2.418 121 L HA 0.006 4.352 4.340 0.009 0.000 0.218 121 L C 2.205 179.083 176.870 0.013 0.000 1.125 121 L CA 0.146 54.992 54.840 0.011 0.000 0.835 121 L CB 0.019 42.082 42.059 0.007 0.000 0.953 121 L HN 0.275 nan 8.230 nan 0.000 0.454 122 M N -0.585 119.024 119.600 0.015 0.000 2.435 122 M HA 0.005 4.491 4.480 0.009 0.000 0.265 122 M C 2.139 178.445 176.300 0.011 0.000 1.104 122 M CA 1.378 56.688 55.300 0.016 0.000 1.140 122 M CB -0.121 32.489 32.600 0.017 0.000 1.372 122 M HN -0.058 nan 8.290 nan 0.000 0.456 123 R N -0.217 120.287 120.500 0.006 0.000 2.070 123 R HA -0.114 4.231 4.340 0.009 0.000 0.232 123 R C 2.135 178.441 176.300 0.009 0.000 1.138 123 R CA 2.074 58.174 56.100 0.001 0.000 0.936 123 R CB -0.703 29.596 30.300 -0.001 0.000 0.839 123 R HN 0.515 nan 8.270 nan 0.000 0.429 124 Q N 0.040 119.847 119.800 0.012 0.000 2.248 124 Q HA -0.138 4.208 4.340 0.009 0.000 0.208 124 Q C 1.813 177.825 176.000 0.021 0.000 0.984 124 Q CA 1.486 57.298 55.803 0.015 0.000 0.875 124 Q CB -0.082 28.664 28.738 0.014 0.000 0.910 124 Q HN 0.377 nan 8.270 nan 0.000 0.433 125 A N -0.052 122.782 122.820 0.023 0.000 2.218 125 A HA 0.081 4.407 4.320 0.009 0.000 0.209 125 A C 1.720 179.328 177.584 0.040 0.000 1.168 125 A CA 0.245 52.301 52.037 0.033 0.000 0.804 125 A CB 0.074 19.095 19.000 0.035 0.000 0.834 125 A HN 0.244 nan 8.150 nan 0.000 0.482 126 L N -1.643 119.599 121.223 0.031 0.000 2.463 126 L HA 0.107 4.452 4.340 0.009 0.000 0.219 126 L C 2.620 179.508 176.870 0.031 0.000 1.088 126 L CA 0.798 55.657 54.840 0.032 0.000 0.849 126 L CB -0.131 41.938 42.059 0.018 0.000 1.012 126 L HN 0.384 nan 8.230 nan 0.000 0.468 127 A N 0.173 123.008 122.820 0.026 0.000 2.123 127 A HA 0.111 4.437 4.320 0.009 0.000 0.214 127 A C 1.179 178.780 177.584 0.029 0.000 1.152 127 A CA -0.049 52.003 52.037 0.024 0.000 0.728 127 A CB -0.326 18.686 19.000 0.019 0.000 0.814 127 A HN 0.230 nan 8.150 nan 0.000 0.464 128 I N 0.737 121.327 120.570 0.034 0.000 2.752 128 I HA -0.066 4.109 4.170 0.009 0.000 0.289 128 I C 0.354 176.496 176.117 0.041 0.000 1.197 128 I CA 0.620 61.942 61.300 0.037 0.000 1.432 128 I CB 0.585 38.611 38.000 0.043 0.000 1.359 128 I HN 0.170 nan 8.210 nan 0.000 0.571 129 K N 5.833 126.254 120.400 0.036 0.000 3.016 129 K HA 0.293 4.619 4.320 0.009 0.000 0.226 129 K C -1.189 175.431 176.600 0.034 0.000 1.245 129 K CA -0.209 56.099 56.287 0.035 0.000 1.174 129 K CB 0.112 32.629 32.500 0.030 0.000 1.572 129 K HN 0.503 nan 8.250 nan 0.000 0.462 130 D N 0.253 120.677 120.400 0.040 0.000 2.738 130 D HA -0.036 4.609 4.640 0.009 0.000 0.218 130 D C 0.865 177.193 176.300 0.047 0.000 1.345 130 D CA -0.059 53.962 54.000 0.034 0.000 0.943 130 D CB 1.971 42.789 40.800 0.029 0.000 1.514 130 D HN 0.195 nan 8.370 nan 0.000 0.585 131 S N 3.072 118.791 115.700 0.032 0.000 2.404 131 S HA -0.322 4.153 4.470 0.009 0.000 0.230 131 S C 1.578 176.228 174.600 0.084 0.000 1.046 131 S CA 1.099 59.320 58.200 0.034 0.000 1.135 131 S CB -0.226 62.950 63.200 -0.039 0.000 1.056 131 S HN 0.468 nan 8.310 nan 0.000 0.426 132 K N 1.399 121.832 120.400 0.054 0.000 2.089 132 K HA -0.144 4.181 4.320 0.009 0.000 0.210 132 K C 2.499 179.150 176.600 0.085 0.000 1.048 132 K CA 1.920 58.253 56.287 0.076 0.000 0.926 132 K CB -0.250 32.267 32.500 0.028 0.000 0.714 132 K HN 0.514 nan 8.250 nan 0.000 0.448 133 K N 0.232 120.672 120.400 0.067 0.000 2.076 133 K HA -0.036 4.289 4.320 0.009 0.000 0.204 133 K C 2.244 178.891 176.600 0.078 0.000 1.051 133 K CA 0.722 57.045 56.287 0.060 0.000 0.949 133 K CB 0.006 32.533 32.500 0.045 0.000 0.726 133 K HN 0.091 nan 8.250 nan 0.000 0.443 134 R N 0.568 121.129 120.500 0.102 0.000 2.127 134 R HA -0.130 4.215 4.340 0.009 0.000 0.219 134 R C 2.183 178.581 176.300 0.163 0.000 1.133 134 R CA 1.744 57.918 56.100 0.123 0.000 0.890 134 R CB -0.827 29.556 30.300 0.138 0.000 0.804 134 R HN 0.119 nan 8.270 nan 0.000 0.443 135 F N 1.514 121.501 119.950 0.060 0.000 2.204 135 F HA -0.324 4.208 4.527 0.009 0.000 0.301 135 F C 1.964 177.814 175.800 0.084 0.000 1.058 135 F CA 1.528 59.569 58.000 0.069 0.000 1.313 135 F CB -0.302 38.716 39.000 0.029 0.000 1.051 135 F HN 0.142 nan 8.300 nan 0.000 0.505 136 A N -0.286 122.495 122.820 -0.064 0.000 1.911 136 A HA 0.260 4.585 4.320 0.009 0.000 0.212 136 A C 2.399 180.001 177.584 0.029 0.000 1.189 136 A CA 1.023 52.998 52.037 -0.104 0.000 0.639 136 A CB -1.368 17.620 19.000 -0.020 0.000 0.839 136 A HN 0.438 nan 8.150 nan 0.000 0.449 137 A N 0.261 123.109 122.820 0.045 0.000 1.873 137 A HA -0.043 4.282 4.320 0.009 0.000 0.215 137 A C 2.099 179.717 177.584 0.056 0.000 1.186 137 A CA 1.422 53.490 52.037 0.051 0.000 0.616 137 A CB -0.642 18.387 19.000 0.047 0.000 0.823 137 A HN 0.462 nan 8.150 nan 0.000 0.442 138 I N -2.400 118.211 120.570 0.068 0.000 2.091 138 I HA -0.315 3.860 4.170 0.009 0.000 0.239 138 I C 2.398 178.568 176.117 0.088 0.000 1.061 138 I CA 1.912 63.260 61.300 0.080 0.000 1.317 138 I CB -0.470 37.603 38.000 0.122 0.000 1.031 138 I HN 0.676 nan 8.210 nan 0.000 0.401 139 W N 1.924 123.119 121.300 -0.176 0.000 2.247 139 W HA -0.337 4.328 4.660 0.009 0.000 0.330 139 W C 2.804 179.250 176.519 -0.121 0.000 1.278 139 W CA 2.754 59.975 57.345 -0.206 0.000 1.174 139 W CB -1.130 28.093 29.460 -0.395 0.000 1.153 139 W HN 0.032 nan 8.180 nan 0.000 0.464 140 T N 1.386 115.949 114.554 0.015 0.000 2.755 140 T HA -0.277 4.078 4.350 0.009 0.000 0.266 140 T C 1.803 176.418 174.700 -0.142 0.000 1.041 140 T CA 2.004 64.017 62.100 -0.145 0.000 1.147 140 T CB -0.553 68.310 68.868 -0.009 0.000 0.847 140 T HN 0.197 nan 8.240 nan 0.000 0.478 141 L N 0.291 121.472 121.223 -0.069 0.000 2.446 141 L HA 0.101 4.446 4.340 0.009 0.000 0.219 141 L C 1.282 178.114 176.870 -0.064 0.000 1.116 141 L CA 0.451 55.258 54.840 -0.053 0.000 0.844 141 L CB 0.072 42.124 42.059 -0.012 0.000 0.970 141 L HN 0.457 nan 8.230 nan 0.000 0.457 142 C N -2.651 116.599 119.300 -0.083 0.000 2.887 142 C HA 0.273 4.739 4.460 0.009 0.000 0.240 142 C C 1.445 176.357 174.990 -0.131 0.000 1.872 142 C CA -0.861 58.115 59.018 -0.070 0.000 1.626 142 C CB -0.994 26.743 27.740 -0.006 0.000 3.115 142 C HN 0.424 nan 8.230 nan 0.000 0.488 143 K N -0.215 120.030 120.400 -0.258 0.000 2.370 143 K HA 0.133 4.458 4.320 0.009 0.000 0.194 143 K C 1.229 177.676 176.600 -0.255 0.000 1.070 143 K CA 0.708 56.770 56.287 -0.374 0.000 0.998 143 K CB -0.260 31.759 32.500 -0.802 0.000 0.911 143 K HN 0.202 nan 8.250 nan 0.000 0.533 144 T N 1.298 115.733 114.554 -0.199 0.000 2.894 144 T HA 0.039 4.394 4.350 0.009 0.000 0.258 144 T C 0.336 174.981 174.700 -0.092 0.000 1.043 144 T CA 0.580 62.596 62.100 -0.140 0.000 1.141 144 T CB 0.040 68.838 68.868 -0.117 0.000 0.873 144 T HN 0.157 nan 8.240 nan 0.000 0.449 145 K N 1.591 121.947 120.400 -0.074 0.000 2.412 145 K HA 0.243 4.568 4.320 0.009 0.000 0.281 145 K C -0.085 176.497 176.600 -0.031 0.000 1.027 145 K CA 0.466 56.730 56.287 -0.039 0.000 0.989 145 K CB 0.401 32.888 32.500 -0.022 0.000 0.935 145 K HN 0.268 nan 8.250 nan 0.000 0.475 146 M N 2.856 122.447 119.600 -0.014 0.000 3.002 146 M HA 0.174 4.660 4.480 0.009 0.000 0.398 146 M C -1.264 175.057 176.300 0.034 0.000 1.366 146 M CA -0.305 54.994 55.300 -0.001 0.000 0.824 146 M CB 1.031 33.618 32.600 -0.022 0.000 1.414 146 M HN 0.121 nan 8.290 nan 0.000 0.501 147 V N -0.009 119.928 119.914 0.038 0.000 2.697 147 V HA 0.149 4.274 4.120 0.009 0.000 0.300 147 V C -0.697 175.428 176.094 0.052 0.000 1.115 147 V CA -1.208 61.124 62.300 0.053 0.000 0.912 147 V CB 2.205 34.051 31.823 0.038 0.000 1.024 147 V HN 0.475 nan 8.190 nan 0.000 0.431 148 C N 5.490 124.830 119.300 0.068 0.000 2.573 148 C HA 0.251 4.716 4.460 0.009 0.000 0.369 148 C C 0.952 175.968 174.990 0.044 0.000 1.205 148 C CA -0.267 58.788 59.018 0.062 0.000 1.535 148 C CB -1.476 26.311 27.740 0.079 0.000 2.159 148 C HN 0.910 nan 8.230 nan 0.000 0.558 149 E N 3.808 124.029 120.200 0.035 0.000 2.480 149 E HA -0.001 4.355 4.350 0.009 0.000 0.258 149 E C 1.036 177.645 176.600 0.014 0.000 0.984 149 E CA 0.287 56.700 56.400 0.021 0.000 0.930 149 E CB 0.761 30.471 29.700 0.017 0.000 0.936 149 E HN 0.700 nan 8.360 nan 0.000 0.466 150 T N 2.401 116.957 114.554 0.003 0.000 3.054 150 T HA 0.006 4.362 4.350 0.009 0.000 0.259 150 T C -0.142 174.543 174.700 -0.025 0.000 1.092 150 T CA 0.465 62.562 62.100 -0.004 0.000 1.121 150 T CB 0.220 69.085 68.868 -0.005 0.000 0.912 150 T HN 0.428 nan 8.240 nan 0.000 0.489 151 D N 0.160 120.539 120.400 -0.035 0.000 2.736 151 D HA 0.508 5.153 4.640 0.009 0.000 0.223 151 D C -1.355 174.903 176.300 -0.070 0.000 1.231 151 D CA -0.323 53.637 54.000 -0.066 0.000 0.818 151 D CB 2.980 43.749 40.800 -0.052 0.000 1.587 151 D HN -0.083 nan 8.370 nan 0.000 0.463 152 V N 1.215 121.058 119.914 -0.118 0.000 2.888 152 V HA 0.384 4.509 4.120 0.009 0.000 0.309 152 V C -2.475 173.562 176.094 -0.094 0.000 1.114 152 V CA -1.684 60.562 62.300 -0.091 0.000 0.940 152 V CB 2.554 34.328 31.823 -0.081 0.000 1.021 152 V HN 0.392 nan 8.190 nan 0.000 0.426 153 P HA 0.076 nan 4.420 nan 0.000 0.261 153 P C 0.344 177.631 177.300 -0.022 0.000 1.203 153 P CA 0.368 63.449 63.100 -0.031 0.000 0.767 153 P CB 0.575 32.268 31.700 -0.013 0.000 0.785 162 V N 0.288 120.136 119.914 -0.111 0.000 2.667 162 V HA 0.612 4.737 4.120 0.009 0.000 0.308 162 V C 0.010 176.014 176.094 -0.149 0.000 1.048 162 V CA -0.578 61.638 62.300 -0.141 0.000 0.928 162 V CB 2.094 33.777 31.823 -0.234 0.000 1.004 162 V HN 0.831 nan 8.190 nan 0.000 0.444 163 S N 4.576 120.215 115.700 -0.102 0.000 2.480 163 S HA 0.809 5.284 4.470 0.009 0.000 0.286 163 S C -0.311 174.257 174.600 -0.055 0.000 1.180 163 S CA -0.840 57.318 58.200 -0.069 0.000 1.075 163 S CB 1.503 64.681 63.200 -0.036 0.000 0.996 163 S HN 0.877 nan 8.310 nan 0.000 0.487 164 R N 1.842 122.322 120.500 -0.033 0.000 3.416 164 R HA 0.782 5.127 4.340 0.009 0.000 0.236 164 R C 0.434 176.747 176.300 0.022 0.000 1.576 164 R CA -0.963 55.150 56.100 0.021 0.000 1.011 164 R CB -0.452 29.882 30.300 0.056 0.000 1.670 164 R HN 0.665 nan 8.270 nan 0.000 0.519 165 G N -0.142 108.680 108.800 0.037 0.000 2.225 165 G HA2 0.346 4.311 3.960 0.009 0.000 0.245 165 G HA3 0.346 4.311 3.960 0.009 0.000 0.245 165 G C -0.096 174.817 174.900 0.021 0.000 1.249 165 G CA 0.123 45.240 45.100 0.028 0.000 0.919 165 G HN 0.641 nan 8.290 nan 0.000 0.486 166 G N 0.048 108.856 108.800 0.013 0.000 2.335 166 G HA2 0.553 4.519 3.960 0.009 0.000 0.316 166 G HA3 0.553 4.519 3.960 0.009 0.000 0.316 166 G C 0.143 175.049 174.900 0.010 0.000 1.129 166 G CA 0.116 45.221 45.100 0.008 0.000 0.899 166 G HN 1.909 nan 8.290 nan 0.000 0.448 167 C N 0.842 120.151 119.300 0.015 0.000 2.063 167 C HA 0.136 4.601 4.460 0.009 0.000 0.400 167 C C 1.120 176.131 174.990 0.035 0.000 0.625 167 C CA -0.849 58.178 59.018 0.015 0.000 0.642 167 C CB -0.783 26.970 27.740 0.020 0.000 1.050 167 C HN 1.238 nan 8.230 nan 0.000 0.753 168 G N 2.051 110.867 108.800 0.027 0.000 2.894 168 G HA2 -0.019 3.947 3.960 0.009 0.000 0.203 168 G HA3 -0.019 3.947 3.960 0.009 0.000 0.203 168 G C 0.511 175.448 174.900 0.061 0.000 1.173 168 G CA 0.307 45.430 45.100 0.040 0.000 0.854 168 G HN 0.901 nan 8.290 nan 0.000 0.510 169 N N 1.147 119.891 118.700 0.073 0.000 2.293 169 N HA -0.031 4.714 4.740 0.009 0.000 0.253 169 N C 0.384 175.997 175.510 0.173 0.000 1.248 169 N CA 0.761 53.880 53.050 0.115 0.000 0.845 169 N CB 0.500 39.078 38.487 0.152 0.000 1.073 169 N HN -0.024 nan 8.380 nan 0.000 0.464 170 T N 2.723 117.402 114.554 0.208 0.000 2.919 170 T HA 0.075 4.430 4.350 0.009 0.000 0.302 170 T C 0.719 175.621 174.700 0.336 0.000 1.031 170 T CA -0.286 61.957 62.100 0.239 0.000 1.127 170 T CB 0.707 69.728 68.868 0.256 0.000 0.952 170 T HN 0.290 nan 8.240 nan 0.000 0.540 171 Q N 3.230 123.136 119.800 0.176 0.000 2.260 171 Q HA 0.341 4.687 4.340 0.009 0.000 0.242 171 Q C -2.181 173.711 176.000 -0.179 0.000 0.932 171 Q CA -1.969 53.890 55.803 0.094 0.000 0.891 171 Q CB 0.645 29.408 28.738 0.041 0.000 1.222 171 Q HN 0.417 nan 8.270 nan 0.000 0.453 172 P HA 0.078 nan 4.420 nan 0.000 0.282 172 P C -0.912 176.124 177.300 -0.441 0.000 1.249 172 P CA -0.414 62.161 63.100 -0.874 0.000 0.806 172 P CB 0.971 32.021 31.700 -1.084 0.000 0.984 173 T N 4.132 118.435 114.554 -0.418 0.000 3.162 173 T HA 0.328 4.683 4.350 0.009 0.000 0.316 173 T C 0.714 175.298 174.700 -0.193 0.000 1.182 173 T CA -0.198 61.767 62.100 -0.225 0.000 1.015 173 T CB -0.941 67.824 68.868 -0.171 0.000 1.089 173 T HN 0.236 nan 8.240 nan 0.000 0.646 174 I N 4.109 124.598 120.570 -0.135 0.000 2.588 174 I HA 0.307 4.482 4.170 0.009 0.000 0.283 174 I C 0.900 177.008 176.117 -0.015 0.000 1.119 174 I CA -0.298 60.961 61.300 -0.069 0.000 1.419 174 I CB 0.411 38.411 38.000 0.000 0.000 1.394 174 I HN 0.453 nan 8.210 nan 0.000 0.562 175 R N 5.211 125.706 120.500 -0.009 0.000 2.628 175 R HA 0.501 4.846 4.340 0.009 0.000 0.288 175 R C -1.113 175.202 176.300 0.026 0.000 0.980 175 R CA -1.103 55.004 56.100 0.012 0.000 0.891 175 R CB 1.791 32.088 30.300 -0.005 0.000 1.188 175 R HN 0.488 nan 8.270 nan 0.000 0.450 176 K N 2.099 122.526 120.400 0.044 0.000 2.298 176 K HA 0.113 4.438 4.320 0.009 0.000 0.280 176 K C -1.086 175.531 176.600 0.027 0.000 1.032 176 K CA -0.165 56.150 56.287 0.047 0.000 0.958 176 K CB 0.806 33.346 32.500 0.066 0.000 0.978 176 K HN 0.660 nan 8.250 nan 0.000 0.472 177 D N 3.205 123.615 120.400 0.017 0.000 2.365 177 D HA 0.212 4.857 4.640 0.009 0.000 0.235 177 D C 0.391 176.691 176.300 0.000 0.000 1.368 177 D CA 0.539 54.543 54.000 0.006 0.000 1.001 177 D CB 1.444 42.240 40.800 -0.005 0.000 1.364 177 D HN 0.858 nan 8.370 nan 0.000 0.577 178 G N 2.459 111.266 108.800 0.012 0.000 3.274 178 G HA2 -0.305 3.660 3.960 0.009 0.000 0.313 178 G HA3 -0.305 3.660 3.960 0.009 0.000 0.313 178 G C 0.465 175.390 174.900 0.041 0.000 1.295 178 G CA 0.572 45.681 45.100 0.015 0.000 1.004 178 G HN 0.494 nan 8.290 nan 0.000 0.614 179 L N 0.440 121.673 121.223 0.017 0.000 3.510 179 L HA 0.459 4.805 4.340 0.009 0.000 0.324 179 L C 0.227 177.042 176.870 -0.092 0.000 1.307 179 L CA -0.205 54.651 54.840 0.028 0.000 1.011 179 L CB 0.808 42.915 42.059 0.081 0.000 1.422 179 L HN 0.276 nan 8.230 nan 0.000 0.617 180 K N 0.910 121.249 120.400 -0.101 0.000 2.444 180 K HA 0.750 5.075 4.320 0.009 0.000 0.252 180 K C -1.167 175.374 176.600 -0.098 0.000 0.993 180 K CA -0.773 55.403 56.287 -0.186 0.000 0.847 180 K CB 3.003 35.415 32.500 -0.146 0.000 1.340 180 K HN -0.079 nan 8.250 nan 0.000 0.446 181 L N 1.771 122.933 121.223 -0.101 0.000 2.305 181 L HA 0.480 4.825 4.340 0.009 0.000 0.284 181 L C -0.864 176.001 176.870 -0.008 0.000 1.013 181 L CA -1.145 53.688 54.840 -0.012 0.000 0.819 181 L CB 1.672 43.760 42.059 0.049 0.000 1.227 181 L HN 0.231 nan 8.230 nan 0.000 0.417 182 V N 2.031 121.941 119.914 -0.008 0.000 2.435 182 V HA 0.760 4.885 4.120 0.009 0.000 0.290 182 V C 0.474 176.533 176.094 -0.058 0.000 1.030 182 V CA -0.406 61.887 62.300 -0.010 0.000 0.881 182 V CB 1.607 33.426 31.823 -0.007 0.000 0.983 182 V HN 0.869 nan 8.190 nan 0.000 0.445 183 G N 2.463 111.195 108.800 -0.113 0.000 2.524 183 G HA2 0.662 4.627 3.960 0.009 0.000 0.310 183 G HA3 0.662 4.627 3.960 0.009 0.000 0.310 183 G C -0.552 174.062 174.900 -0.476 0.000 1.279 183 G CA -0.438 44.450 45.100 -0.352 0.000 0.974 183 G HN 0.843 nan 8.290 nan 0.000 0.484 184 S N 0.612 116.031 115.700 -0.467 0.000 2.593 184 S HA 0.782 5.257 4.470 0.009 0.000 0.297 184 S C -0.820 173.532 174.600 -0.413 0.000 1.112 184 S CA -0.823 57.222 58.200 -0.258 0.000 1.043 184 S CB 1.792 64.932 63.200 -0.100 0.000 1.054 184 S HN 0.599 nan 8.310 nan 0.000 0.516 185 W N 0.689 122.000 121.300 0.019 0.000 2.799 185 W HA 0.687 5.352 4.660 0.009 0.000 0.349 185 W C 0.137 176.666 176.519 0.016 0.000 1.100 185 W CA -0.748 56.611 57.345 0.023 0.000 1.174 185 W CB 2.439 31.917 29.460 0.031 0.000 1.427 185 W HN 0.877 nan 8.180 nan 0.000 0.547 200 R N 1.548 122.216 120.500 0.281 0.000 2.902 200 R HA 0.904 5.249 4.340 0.009 0.000 0.258 200 R C -1.171 175.228 176.300 0.166 0.000 1.071 200 R CA -0.833 55.379 56.100 0.186 0.000 1.024 200 R CB 2.153 32.553 30.300 0.167 0.000 1.184 200 R HN 0.134 nan 8.270 nan 0.000 0.492 201 V N 2.496 122.463 119.914 0.088 0.000 2.407 201 V HA 0.255 4.380 4.120 0.009 0.000 0.278 201 V C 0.201 176.338 176.094 0.071 0.000 1.037 201 V CA -0.810 61.523 62.300 0.054 0.000 0.900 201 V CB 1.208 33.032 31.823 0.002 0.000 0.983 201 V HN 0.529 nan 8.190 nan 0.000 0.459 202 L N 5.537 126.799 121.223 0.066 0.000 2.312 202 L HA 0.299 4.644 4.340 0.009 0.000 0.287 202 L C 1.055 177.925 176.870 -0.000 0.000 1.091 202 L CA 0.078 54.962 54.840 0.074 0.000 0.846 202 L CB 0.466 42.583 42.059 0.096 0.000 1.219 202 L HN 0.878 nan 8.230 nan 0.000 0.439 203 S N 1.043 116.750 115.700 0.011 0.000 2.633 203 S HA 0.186 4.661 4.470 0.009 0.000 0.257 203 S C 1.160 175.767 174.600 0.011 0.000 1.265 203 S CA -0.223 57.966 58.200 -0.018 0.000 0.980 203 S CB 0.963 64.171 63.200 0.013 0.000 1.017 203 S HN 0.551 nan 8.310 nan 0.000 0.577 204 T N 0.925 115.497 114.554 0.030 0.000 2.809 204 T HA -0.013 4.343 4.350 0.009 0.000 0.260 204 T C 1.674 176.419 174.700 0.076 0.000 1.039 204 T CA 1.468 63.652 62.100 0.140 0.000 1.141 204 T CB -0.615 68.348 68.868 0.158 0.000 0.869 204 T HN 0.722 nan 8.240 nan 0.000 0.437 205 E N 1.242 121.470 120.200 0.047 0.000 2.130 205 E HA -0.193 4.162 4.350 0.009 0.000 0.196 205 E C 2.249 178.860 176.600 0.019 0.000 0.998 205 E CA 1.185 57.602 56.400 0.029 0.000 0.806 205 E CB -0.125 29.594 29.700 0.032 0.000 0.738 205 E HN 0.598 nan 8.360 nan 0.000 0.459 206 E N 0.501 120.719 120.200 0.030 0.000 2.001 206 E HA -0.201 4.154 4.350 0.009 0.000 0.195 206 E C 2.183 178.783 176.600 0.000 0.000 1.002 206 E CA 1.056 57.477 56.400 0.035 0.000 0.819 206 E CB -0.109 29.621 29.700 0.050 0.000 0.769 206 E HN 0.185 nan 8.360 nan 0.000 0.454 207 I N 1.407 121.953 120.570 -0.040 0.000 2.181 207 I HA -0.329 3.847 4.170 0.009 0.000 0.247 207 I C 2.532 178.440 176.117 -0.347 0.000 1.081 207 I CA 1.404 62.558 61.300 -0.243 0.000 1.340 207 I CB -1.336 36.460 38.000 -0.340 0.000 1.036 207 I HN 0.236 nan 8.210 nan 0.000 0.417 208 L N 0.414 121.511 121.223 -0.209 0.000 1.951 208 L HA -0.309 4.037 4.340 0.009 0.000 0.222 208 L C 2.573 179.369 176.870 -0.123 0.000 1.078 208 L CA 1.813 56.561 54.840 -0.153 0.000 0.778 208 L CB -0.664 41.353 42.059 -0.070 0.000 0.893 208 L HN 0.337 nan 8.230 nan 0.000 0.436 209 N N 0.264 118.896 118.700 -0.114 0.000 2.023 209 N HA -0.261 4.484 4.740 0.009 0.000 0.200 209 N C 1.782 177.158 175.510 -0.224 0.000 1.048 209 N CA 2.120 55.020 53.050 -0.250 0.000 0.872 209 N CB -0.622 37.880 38.487 0.025 0.000 1.070 209 N HN 0.300 nan 8.380 nan 0.000 0.441 210 I N 0.465 121.084 120.570 0.081 0.000 2.121 210 I HA -0.336 3.839 4.170 0.009 0.000 0.243 210 I C 2.046 178.346 176.117 0.305 0.000 1.047 210 I CA 1.524 62.971 61.300 0.247 0.000 1.308 210 I CB -0.499 37.693 38.000 0.321 0.000 1.015 210 I HN 0.028 nan 8.210 nan 0.000 0.410 211 F N 0.971 120.873 119.950 -0.079 0.000 2.206 211 F HA -0.092 4.440 4.527 0.009 0.000 0.298 211 F C 2.452 178.185 175.800 -0.111 0.000 1.090 211 F CA 1.129 59.070 58.000 -0.098 0.000 1.323 211 F CB -0.809 38.102 39.000 -0.148 0.000 1.028 211 F HN -0.025 nan 8.300 nan 0.000 0.492 212 K N -0.797 119.597 120.400 -0.009 0.000 2.148 212 K HA -0.125 4.200 4.320 0.009 0.000 0.204 212 K C 1.615 178.168 176.600 -0.079 0.000 1.050 212 K CA 1.061 57.282 56.287 -0.111 0.000 0.942 212 K CB -0.247 32.123 32.500 -0.218 0.000 0.724 212 K HN 0.304 nan 8.250 nan 0.000 0.446 213 H N 0.330 119.428 119.070 0.046 0.000 2.548 213 H HA 0.123 4.685 4.556 0.009 0.000 0.268 213 H C 0.773 176.063 175.328 -0.063 0.000 0.975 213 H CA 0.206 56.255 56.048 0.001 0.000 1.195 213 H CB -0.191 29.586 29.762 0.024 0.000 1.397 213 H HN 0.086 nan 8.280 nan 0.000 0.572 214 I N 2.395 122.970 120.570 0.010 0.000 2.752 214 I HA -0.090 4.086 4.170 0.009 0.000 0.287 214 I C 0.859 176.684 176.117 -0.486 0.000 1.188 214 I CA 0.119 61.310 61.300 -0.181 0.000 1.427 214 I CB 0.520 38.436 38.000 -0.140 0.000 1.365 214 I HN 0.120 nan 8.210 nan 0.000 0.585 215 S N 4.560 119.960 115.700 -0.500 0.000 2.585 215 S HA 0.271 4.747 4.470 0.009 0.000 0.277 215 S C 1.069 175.168 174.600 -0.835 0.000 1.241 215 S CA -1.025 56.853 58.200 -0.536 0.000 1.041 215 S CB 1.855 64.892 63.200 -0.271 0.000 0.987 215 S HN 0.407 nan 8.310 nan 0.000 0.512 216 V N 3.162 122.670 119.914 -0.676 0.000 2.236 216 V HA -0.319 3.806 4.120 0.009 0.000 0.255 216 V C 2.681 178.638 176.094 -0.229 0.000 1.068 216 V CA 2.511 64.543 62.300 -0.447 0.000 1.044 216 V CB -1.148 30.593 31.823 -0.137 0.000 0.653 216 V HN 0.970 nan 8.190 nan 0.000 0.448 217 K N -0.407 119.898 120.400 -0.157 0.000 2.160 217 K HA -0.232 4.093 4.320 0.009 0.000 0.206 217 K C 1.837 178.411 176.600 -0.044 0.000 1.047 217 K CA 1.741 57.990 56.287 -0.065 0.000 0.930 217 K CB -0.356 32.109 32.500 -0.059 0.000 0.720 217 K HN 0.584 nan 8.250 nan 0.000 0.450 218 D N -0.074 120.247 120.400 -0.130 0.000 2.224 218 D HA -0.069 4.576 4.640 0.009 0.000 0.205 218 D C 1.767 178.118 176.300 0.085 0.000 0.965 218 D CA 0.844 54.809 54.000 -0.057 0.000 0.852 218 D CB -0.091 40.629 40.800 -0.133 0.000 0.947 218 D HN 0.205 nan 8.370 nan 0.000 0.494 219 F N 1.438 121.353 119.950 -0.058 0.000 2.014 219 F HA -0.192 4.340 4.527 0.009 0.000 0.295 219 F C 2.729 178.587 175.800 0.097 0.000 1.145 219 F CA 0.807 58.788 58.000 -0.031 0.000 1.178 219 F CB -0.642 38.328 39.000 -0.050 0.000 0.972 219 F HN -0.107 nan 8.300 nan 0.000 0.476 220 T N -0.094 114.634 114.554 0.291 0.000 2.755 220 T HA -0.289 4.066 4.350 0.009 0.000 0.266 220 T C 1.977 176.775 174.700 0.163 0.000 1.041 220 T CA 1.833 64.046 62.100 0.188 0.000 1.147 220 T CB -0.624 68.314 68.868 0.117 0.000 0.847 220 T HN 0.406 nan 8.240 nan 0.000 0.478 221 S N 0.406 116.202 115.700 0.159 0.000 2.428 221 S HA 0.106 4.582 4.470 0.009 0.000 0.230 221 S C 0.759 175.486 174.600 0.213 0.000 1.014 221 S CA 0.258 58.549 58.200 0.152 0.000 0.957 221 S CB -0.430 62.844 63.200 0.124 0.000 0.784 221 S HN 0.447 nan 8.310 nan 0.000 0.499 222 L N 0.600 121.985 121.223 0.271 0.000 2.332 222 L HA 0.616 4.961 4.340 0.009 0.000 0.269 222 L C 1.049 178.045 176.870 0.209 0.000 1.016 222 L CA -0.809 54.216 54.840 0.308 0.000 0.809 222 L CB 0.701 42.995 42.059 0.391 0.000 1.280 222 L HN 0.191 nan 8.230 nan 0.000 0.447 223 G N 1.185 109.916 108.800 -0.115 0.000 2.894 223 G HA2 0.227 4.192 3.960 0.009 0.000 0.265 223 G HA3 0.227 4.192 3.960 0.009 0.000 0.265 223 G C -0.613 173.898 174.900 -0.649 0.000 0.735 223 G CA 0.167 45.071 45.100 -0.327 0.000 2.064 223 G HN 0.208 nan 8.290 nan 0.000 0.590 224 F N -1.006 118.902 119.950 -0.070 0.000 2.563 224 F HA 0.365 4.898 4.527 0.009 0.000 0.316 224 F C 0.599 176.389 175.800 -0.017 0.000 1.076 224 F CA -1.444 56.488 58.000 -0.114 0.000 0.921 224 F CB 2.308 41.106 39.000 -0.337 0.000 1.209 224 F HN 0.108 nan 8.300 nan 0.000 0.462 225 N N 0.844 119.646 118.700 0.170 0.000 2.203 225 N HA 0.013 4.759 4.740 0.009 0.000 0.207 225 N C 1.195 176.784 175.510 0.131 0.000 1.130 225 N CA 0.842 54.003 53.050 0.185 0.000 0.861 225 N CB 0.097 38.762 38.487 0.298 0.000 1.005 225 N HN 0.784 nan 8.380 nan 0.000 0.507 226 E N -2.301 117.932 120.200 0.055 0.000 5.142 226 E HA -0.384 3.971 4.350 0.009 0.000 0.169 226 E C 0.395 176.981 176.600 -0.023 0.000 1.322 226 E CA 2.265 58.666 56.400 0.001 0.000 2.174 226 E CB -1.749 28.067 29.700 0.192 0.000 1.883 226 E HN 0.096 nan 8.360 nan 0.000 0.358 227 V N -0.102 119.793 119.914 -0.032 0.000 2.273 227 V HA -0.040 4.085 4.120 0.009 0.000 0.242 227 V C 2.210 178.190 176.094 -0.190 0.000 1.035 227 V CA 2.315 64.479 62.300 -0.226 0.000 1.013 227 V CB -0.693 30.771 31.823 -0.599 0.000 0.652 227 V HN 0.369 nan 8.190 nan 0.000 0.452 228 F N 0.850 120.945 119.950 0.241 0.000 2.749 228 F HA 0.295 4.828 4.527 0.009 0.000 0.300 228 F C 0.802 176.819 175.800 0.363 0.000 1.103 228 F CA 0.468 58.607 58.000 0.231 0.000 1.342 228 F CB 0.260 39.320 39.000 0.101 0.000 1.098 228 F HN 0.228 nan 8.300 nan 0.000 0.586 229 S N 0.049 116.066 115.700 0.528 0.000 2.616 229 S HA 0.596 5.071 4.470 0.009 0.000 0.276 229 S C -0.951 173.709 174.600 0.100 0.000 1.159 229 S CA -0.922 57.566 58.200 0.481 0.000 1.000 229 S CB 1.439 64.806 63.200 0.279 0.000 1.117 229 S HN 0.160 nan 8.310 nan 0.000 0.464 230 R N 2.675 122.994 120.500 -0.303 0.000 2.534 230 R HA 0.477 4.822 4.340 0.009 0.000 0.301 230 R C -2.304 173.540 176.300 -0.759 0.000 0.961 230 R CA -2.427 53.019 56.100 -1.090 0.000 0.871 230 R CB 1.666 30.913 30.300 -1.754 0.000 1.170 230 R HN 0.304 nan 8.270 nan 0.000 0.446 231 P HA -0.311 nan 4.420 nan 0.000 0.218 231 P C 0.768 178.032 177.300 -0.060 0.000 1.154 231 P CA 1.512 64.188 63.100 -0.707 0.000 0.872 231 P CB 0.175 31.210 31.700 -1.109 0.000 0.790 232 E N -1.607 118.501 120.200 -0.152 0.000 2.273 232 E HA -0.230 4.125 4.350 0.009 0.000 0.198 232 E C 1.362 177.976 176.600 0.024 0.000 1.002 232 E CA 1.091 57.468 56.400 -0.039 0.000 0.828 232 E CB -1.031 28.563 29.700 -0.176 0.000 0.747 232 E HN 0.343 nan 8.360 nan 0.000 0.491 233 W N 0.833 122.089 121.300 -0.072 0.000 2.523 233 W HA 0.223 4.889 4.660 0.009 0.000 0.278 233 W C 2.178 178.591 176.519 -0.177 0.000 1.236 233 W CA 0.067 57.361 57.345 -0.084 0.000 1.306 233 W CB -0.598 28.829 29.460 -0.055 0.000 1.101 233 W HN 0.076 nan 8.180 nan 0.000 0.577 234 M N -0.006 119.550 119.600 -0.074 0.000 2.521 234 M HA -0.148 4.337 4.480 0.009 0.000 0.260 234 M C 0.437 176.586 176.300 -0.251 0.000 1.068 234 M CA 1.271 56.302 55.300 -0.448 0.000 1.060 234 M CB -0.672 31.709 32.600 -0.365 0.000 1.398 234 M HN -0.291 nan 8.290 nan 0.000 0.473 235 I N 0.872 121.358 120.570 -0.140 0.000 2.385 235 I HA 0.203 4.378 4.170 0.009 0.000 0.294 235 I C -0.286 175.847 176.117 0.028 0.000 0.988 235 I CA -0.605 60.612 61.300 -0.137 0.000 1.265 235 I CB 1.462 39.345 38.000 -0.195 0.000 1.388 235 I HN 0.022 nan 8.210 nan 0.000 0.480 236 L N 6.488 127.754 121.223 0.071 0.000 2.295 236 L HA 0.227 4.573 4.340 0.009 0.000 0.288 236 L C 0.845 177.765 176.870 0.084 0.000 1.079 236 L CA 0.027 54.924 54.840 0.095 0.000 0.830 236 L CB 0.712 42.831 42.059 0.101 0.000 1.200 236 L HN 0.747 nan 8.230 nan 0.000 0.438 237 T N 0.652 115.255 114.554 0.083 0.000 2.990 237 T HA -0.020 4.335 4.350 0.009 0.000 0.237 237 T C 0.371 175.108 174.700 0.063 0.000 1.009 237 T CA 0.312 62.457 62.100 0.075 0.000 1.195 237 T CB 0.279 69.201 68.868 0.090 0.000 0.885 237 T HN 0.562 nan 8.240 nan 0.000 0.424 238 C N 2.825 122.164 119.300 0.065 0.000 2.322 238 C HA 0.794 5.259 4.460 0.009 0.000 0.324 238 C C -0.523 174.498 174.990 0.051 0.000 1.284 238 C CA -1.359 57.700 59.018 0.069 0.000 1.606 238 C CB -0.626 27.175 27.740 0.101 0.000 2.251 238 C HN 0.490 nan 8.230 nan 0.000 0.502 239 L N 9.433 130.674 121.223 0.031 0.000 2.289 239 L HA 0.676 5.021 4.340 0.009 0.000 0.285 239 L C -2.182 174.726 176.870 0.063 0.000 1.049 239 L CA -1.502 53.360 54.840 0.036 0.000 0.804 239 L CB 1.483 43.527 42.059 -0.026 0.000 1.195 239 L HN 0.530 nan 8.230 nan 0.000 0.428 240 P HA 0.165 nan 4.420 nan 0.000 0.292 240 P C -1.212 176.224 177.300 0.226 0.000 1.287 240 P CA -0.312 62.906 63.100 0.197 0.000 0.800 240 P CB 1.576 33.419 31.700 0.239 0.000 0.945 241 V N 6.106 126.115 119.914 0.158 0.000 2.348 241 V HA 0.226 4.351 4.120 0.009 0.000 0.270 241 V C -1.746 174.219 176.094 -0.215 0.000 1.037 241 V CA -2.082 60.225 62.300 0.011 0.000 0.872 241 V CB 0.936 32.755 31.823 -0.007 0.000 1.002 241 V HN 0.552 nan 8.190 nan 0.000 0.464 242 P HA 0.165 nan 4.420 nan 0.000 0.267 242 P C -2.427 174.638 177.300 -0.391 0.000 1.205 242 P CA -1.005 61.735 63.100 -0.600 0.000 0.765 242 P CB 0.464 32.021 31.700 -0.239 0.000 0.828 243 P HA 0.046 nan 4.420 nan 0.000 0.274 243 P C -1.724 175.493 177.300 -0.138 0.000 1.264 243 P CA -1.075 61.898 63.100 -0.211 0.000 0.795 243 P CB -0.671 30.916 31.700 -0.188 0.000 1.064 244 P HA -0.093 nan 4.420 nan 0.000 0.215 244 P C -1.249 176.009 177.300 -0.069 0.000 1.157 244 P CA 2.601 65.663 63.100 -0.062 0.000 0.868 244 P CB -1.962 29.715 31.700 -0.039 0.000 0.788 245 P HA -0.180 nan 4.420 nan 0.000 0.214 245 P C 1.952 179.213 177.300 -0.065 0.000 1.172 245 P CA 1.373 64.433 63.100 -0.067 0.000 0.925 245 P CB -0.712 30.944 31.700 -0.074 0.000 0.793 246 V N -0.595 119.272 119.914 -0.079 0.000 2.370 246 V HA -0.234 3.891 4.120 0.009 0.000 0.252 246 V C 1.152 177.208 176.094 -0.063 0.000 1.068 246 V CA 2.107 64.364 62.300 -0.070 0.000 1.061 246 V CB -1.278 30.488 31.823 -0.094 0.000 0.656 246 V HN 0.312 nan 8.190 nan 0.000 0.455 247 R N 0.760 121.221 120.500 -0.067 0.000 2.415 247 R HA 0.428 4.773 4.340 0.009 0.000 0.292 247 R C -2.891 173.371 176.300 -0.063 0.000 1.295 247 R CA -1.683 54.379 56.100 -0.063 0.000 1.137 247 R CB 0.595 30.862 30.300 -0.054 0.000 1.135 247 R HN 0.198 nan 8.270 nan 0.000 0.560 248 P HA 0.084 nan 4.420 nan 0.000 0.276 248 P C -0.520 176.742 177.300 -0.062 0.000 1.244 248 P CA -0.286 62.782 63.100 -0.055 0.000 0.801 248 P CB 1.513 33.184 31.700 -0.049 0.000 1.006 260 D N 0.565 120.802 120.400 -0.272 0.000 2.406 260 D HA -0.069 4.577 4.640 0.009 0.000 0.234 260 D C 0.265 176.338 176.300 -0.377 0.000 1.196 260 D CA 0.556 54.398 54.000 -0.263 0.000 0.881 260 D CB 0.705 41.416 40.800 -0.150 0.000 1.205 260 D HN 0.376 nan 8.370 nan 0.000 0.453 261 D N 1.959 122.198 120.400 -0.268 0.000 2.219 261 D HA -0.105 4.540 4.640 0.009 0.000 0.205 261 D C 2.026 178.287 176.300 -0.065 0.000 0.970 261 D CA 0.462 54.345 54.000 -0.196 0.000 0.851 261 D CB 0.274 41.019 40.800 -0.091 0.000 0.943 261 D HN 0.417 nan 8.370 nan 0.000 0.488 262 L N 0.811 122.007 121.223 -0.045 0.000 2.017 262 L HA -0.166 4.179 4.340 0.009 0.000 0.208 262 L C 2.554 179.476 176.870 0.088 0.000 1.073 262 L CA 1.128 56.002 54.840 0.058 0.000 0.745 262 L CB -0.680 41.409 42.059 0.051 0.000 0.894 262 L HN 0.031 nan 8.230 nan 0.000 0.432 263 T N -0.191 114.374 114.554 0.017 0.000 2.652 263 T HA -0.234 4.121 4.350 0.009 0.000 0.267 263 T C 1.722 176.529 174.700 0.180 0.000 1.039 263 T CA 1.533 63.668 62.100 0.058 0.000 1.153 263 T CB -0.553 68.323 68.868 0.013 0.000 0.863 263 T HN 0.194 nan 8.240 nan 0.000 0.428 264 F N 1.425 121.365 119.950 -0.017 0.000 2.087 264 F HA -0.202 4.330 4.527 0.009 0.000 0.299 264 F C 2.472 178.229 175.800 -0.073 0.000 1.100 264 F CA 0.967 58.945 58.000 -0.036 0.000 1.226 264 F CB -0.203 38.778 39.000 -0.033 0.000 0.983 264 F HN 0.165 nan 8.300 nan 0.000 0.479 265 K N 0.111 120.595 120.400 0.141 0.000 2.432 265 K HA -0.026 4.299 4.320 0.009 0.000 0.196 265 K C 1.661 178.228 176.600 -0.054 0.000 1.038 265 K CA 0.336 56.612 56.287 -0.018 0.000 0.986 265 K CB 0.061 32.580 32.500 0.032 0.000 0.782 265 K HN 0.343 nan 8.250 nan 0.000 0.485 266 L N -0.162 121.057 121.223 -0.008 0.000 2.375 266 L HA 0.032 4.377 4.340 0.009 0.000 0.215 266 L C 2.224 179.065 176.870 -0.049 0.000 1.108 266 L CA 0.309 55.096 54.840 -0.090 0.000 0.830 266 L CB -0.121 41.905 42.059 -0.054 0.000 0.959 266 L HN 0.171 nan 8.230 nan 0.000 0.457 267 A N -0.549 122.272 122.820 0.002 0.000 1.898 267 A HA -0.159 4.166 4.320 0.009 0.000 0.214 267 A C 1.835 179.410 177.584 -0.016 0.000 1.183 267 A CA 1.203 53.242 52.037 0.004 0.000 0.622 267 A CB -0.270 18.746 19.000 0.026 0.000 0.824 267 A HN 0.280 nan 8.150 nan 0.000 0.444 268 D N -0.202 120.165 120.400 -0.054 0.000 2.264 268 D HA -0.055 4.590 4.640 0.009 0.000 0.208 268 D C 1.714 178.131 176.300 0.195 0.000 0.966 268 D CA 0.788 54.765 54.000 -0.038 0.000 0.864 268 D CB -0.022 40.473 40.800 -0.508 0.000 0.933 268 D HN 0.482 nan 8.370 nan 0.000 0.499 269 I N 0.099 120.698 120.570 0.048 0.000 2.584 269 I HA -0.177 3.998 4.170 0.009 0.000 0.255 269 I C 2.103 178.223 176.117 0.005 0.000 1.145 269 I CA 0.193 61.520 61.300 0.045 0.000 1.462 269 I CB 0.269 38.207 38.000 -0.103 0.000 1.102 269 I HN -0.041 nan 8.210 nan 0.000 0.433 270 L N 0.883 122.094 121.223 -0.021 0.000 2.072 270 L HA -0.142 4.204 4.340 0.009 0.000 0.205 270 L C 2.342 179.193 176.870 -0.032 0.000 1.079 270 L CA 1.844 56.660 54.840 -0.040 0.000 0.752 270 L CB -0.525 41.507 42.059 -0.045 0.000 0.906 270 L HN 0.030 nan 8.230 nan 0.000 0.436 271 K N -0.905 119.491 120.400 -0.007 0.000 2.057 271 K HA -0.110 4.215 4.320 0.009 0.000 0.207 271 K C 2.018 178.621 176.600 0.003 0.000 1.049 271 K CA 1.342 57.625 56.287 -0.007 0.000 0.931 271 K CB -0.345 32.165 32.500 0.016 0.000 0.714 271 K HN 0.376 nan 8.250 nan 0.000 0.440 272 A N 1.482 124.325 122.820 0.037 0.000 1.968 272 A HA -0.179 4.146 4.320 0.009 0.000 0.217 272 A C 1.875 179.451 177.584 -0.012 0.000 1.169 272 A CA 1.736 53.777 52.037 0.006 0.000 0.638 272 A CB -0.547 18.450 19.000 -0.005 0.000 0.812 272 A HN 0.352 nan 8.150 nan 0.000 0.446 273 N N -0.184 118.508 118.700 -0.013 0.000 2.216 273 N HA -0.027 4.718 4.740 0.009 0.000 0.183 273 N C 1.476 176.966 175.510 -0.034 0.000 1.017 273 N CA 1.388 54.421 53.050 -0.027 0.000 0.861 273 N CB -0.260 38.203 38.487 -0.040 0.000 0.986 273 N HN 0.494 nan 8.380 nan 0.000 0.428 274 I N 0.031 120.573 120.570 -0.046 0.000 2.141 274 I HA -0.225 3.951 4.170 0.009 0.000 0.236 274 I C 2.216 178.309 176.117 -0.039 0.000 1.071 274 I CA 1.247 62.512 61.300 -0.058 0.000 1.345 274 I CB -0.579 37.362 38.000 -0.097 0.000 1.066 274 I HN 0.272 nan 8.210 nan 0.000 0.406 275 S N 1.054 116.732 115.700 -0.036 0.000 2.462 275 S HA -0.198 4.277 4.470 0.009 0.000 0.243 275 S C 1.858 176.444 174.600 -0.023 0.000 1.003 275 S CA 1.055 59.238 58.200 -0.028 0.000 0.970 275 S CB -0.602 62.583 63.200 -0.024 0.000 0.762 275 S HN 0.370 nan 8.310 nan 0.000 0.510 276 L N 1.427 122.636 121.223 -0.023 0.000 2.127 276 L HA 0.254 4.600 4.340 0.009 0.000 0.203 276 L C 2.368 179.223 176.870 -0.025 0.000 1.080 276 L CA 1.577 56.401 54.840 -0.026 0.000 0.768 276 L CB -0.717 41.327 42.059 -0.025 0.000 0.924 276 L HN 0.241 nan 8.230 nan 0.000 0.444 277 E N -1.129 119.070 120.200 -0.001 0.000 2.150 277 E HA -0.172 4.183 4.350 0.009 0.000 0.193 277 E C 1.851 178.513 176.600 0.102 0.000 0.985 277 E CA 1.470 57.901 56.400 0.051 0.000 0.814 277 E CB -0.082 29.669 29.700 0.086 0.000 0.752 277 E HN 0.502 nan 8.360 nan 0.000 0.466 278 T N 1.722 116.305 114.554 0.048 0.000 2.569 278 T HA -0.157 4.198 4.350 0.009 0.000 0.263 278 T C 1.944 176.658 174.700 0.024 0.000 1.074 278 T CA 1.034 63.160 62.100 0.043 0.000 1.176 278 T CB -0.345 68.524 68.868 0.002 0.000 0.863 278 T HN 0.105 nan 8.240 nan 0.000 0.410 279 L N 0.841 122.056 121.223 -0.015 0.000 2.081 279 L HA -0.167 4.179 4.340 0.009 0.000 0.212 279 L C 2.544 179.370 176.870 -0.073 0.000 1.080 279 L CA 1.578 56.395 54.840 -0.039 0.000 0.754 279 L CB -0.740 41.292 42.059 -0.044 0.000 0.893 279 L HN 0.424 nan 8.230 nan 0.000 0.433 280 E N -1.410 118.720 120.200 -0.116 0.000 2.427 280 E HA -0.123 4.233 4.350 0.009 0.000 0.196 280 E C 1.778 178.193 176.600 -0.307 0.000 1.028 280 E CA 0.403 56.671 56.400 -0.220 0.000 0.864 280 E CB 0.132 29.662 29.700 -0.283 0.000 0.813 280 E HN 0.594 nan 8.360 nan 0.000 0.514 281 H N -0.486 118.560 119.070 -0.039 0.000 2.460 281 H HA 0.154 4.716 4.556 0.009 0.000 0.297 281 H C 1.568 176.874 175.328 -0.036 0.000 1.023 281 H CA 0.294 56.321 56.048 -0.034 0.000 1.321 281 H CB 0.470 30.215 29.762 -0.028 0.000 1.455 281 H HN 0.073 nan 8.280 nan 0.000 0.539 282 N N 0.566 119.314 118.700 0.080 0.000 2.227 282 N HA -0.002 4.743 4.740 0.009 0.000 0.203 282 N C 1.131 176.634 175.510 -0.011 0.000 1.037 282 N CA 0.696 53.763 53.050 0.028 0.000 1.005 282 N CB -0.454 38.044 38.487 0.018 0.000 1.214 282 N HN 0.128 nan 8.380 nan 0.000 0.527 283 G N -0.201 108.583 108.800 -0.026 0.000 2.415 283 G HA2 0.575 4.540 3.960 0.009 0.000 0.317 283 G HA3 0.575 4.540 3.960 0.009 0.000 0.317 283 G C -0.954 173.900 174.900 -0.078 0.000 1.152 283 G CA -0.325 44.745 45.100 -0.049 0.000 0.956 283 G HN 0.456 nan 8.290 nan 0.000 0.458 284 A N 5.015 127.761 122.820 -0.123 0.000 2.366 284 A HA 0.639 4.965 4.320 0.009 0.000 0.322 284 A C -1.091 176.349 177.584 -0.240 0.000 1.397 284 A CA -1.416 50.515 52.037 -0.177 0.000 0.984 284 A CB 0.743 19.610 19.000 -0.221 0.000 1.149 284 A HN 0.528 nan 8.150 nan 0.000 0.540 285 P HA 0.030 nan 4.420 nan 0.000 0.253 285 P C 0.515 177.798 177.300 -0.028 0.000 1.508 285 P CA 0.111 63.159 63.100 -0.087 0.000 0.883 285 P CB -0.210 31.474 31.700 -0.026 0.000 1.519 286 H N 0.497 119.502 119.070 -0.110 0.000 1.452 286 H HA -0.210 4.351 4.556 0.009 0.000 0.090 286 H C 0.650 175.846 175.328 -0.219 0.000 0.620 286 H CA 1.656 57.569 56.048 -0.225 0.000 1.901 286 H CB -1.919 27.685 29.762 -0.263 0.000 2.257 286 H HN 0.399 nan 8.280 nan 0.000 0.961 287 H N 1.457 120.621 119.070 0.157 0.000 2.842 287 H HA 0.477 5.038 4.556 0.009 0.000 0.312 287 H C 0.942 176.291 175.328 0.035 0.000 1.137 287 H CA 0.862 56.947 56.048 0.062 0.000 1.176 287 H CB -0.264 29.517 29.762 0.033 0.000 1.361 287 H HN 0.491 nan 8.280 nan 0.000 0.557 288 A N -0.087 122.795 122.820 0.102 0.000 2.551 288 A HA 0.235 4.560 4.320 0.009 0.000 0.252 288 A C 1.655 179.254 177.584 0.024 0.000 1.199 288 A CA -0.216 51.855 52.037 0.056 0.000 0.972 288 A CB 0.262 19.287 19.000 0.041 0.000 1.153 288 A HN 0.268 nan 8.150 nan 0.000 0.559 289 I N 0.278 120.861 120.570 0.021 0.000 3.081 289 I HA -0.084 4.091 4.170 0.009 0.000 0.274 289 I C 2.076 178.196 176.117 0.004 0.000 1.178 289 I CA 0.961 62.259 61.300 -0.003 0.000 1.460 289 I CB -0.072 37.912 38.000 -0.026 0.000 1.137 289 I HN 0.509 nan 8.210 nan 0.000 0.443 290 E N 1.703 121.921 120.200 0.029 0.000 2.501 290 E HA -0.211 4.144 4.350 0.009 0.000 0.203 290 E C 0.905 177.505 176.600 0.000 0.000 1.072 290 E CA 0.852 57.266 56.400 0.023 0.000 0.885 290 E CB -0.376 29.355 29.700 0.053 0.000 0.813 290 E HN 0.580 nan 8.360 nan 0.000 0.556 291 E N 0.101 120.299 120.200 -0.003 0.000 2.465 291 E HA 0.159 4.514 4.350 0.009 0.000 0.191 291 E C 1.043 177.625 176.600 -0.029 0.000 1.053 291 E CA 0.345 56.734 56.400 -0.019 0.000 0.869 291 E CB 0.650 30.342 29.700 -0.014 0.000 0.977 291 E HN 0.421 nan 8.360 nan 0.000 0.483 292 A N 0.173 122.977 122.820 -0.026 0.000 2.498 292 A HA 0.139 4.464 4.320 0.009 0.000 0.238 292 A C 1.510 179.075 177.584 -0.032 0.000 1.225 292 A CA -0.206 51.811 52.037 -0.034 0.000 0.978 292 A CB 0.423 19.406 19.000 -0.029 0.000 1.142 292 A HN 0.008 nan 8.150 nan 0.000 0.552 293 E N 0.602 120.789 120.200 -0.022 0.000 2.086 293 E HA -0.093 4.262 4.350 0.009 0.000 0.190 293 E C 2.073 178.667 176.600 -0.010 0.000 0.975 293 E CA 1.201 57.593 56.400 -0.013 0.000 0.813 293 E CB -0.028 29.667 29.700 -0.009 0.000 0.768 293 E HN 0.656 nan 8.360 nan 0.000 0.457 294 S N 0.795 116.483 115.700 -0.019 0.000 2.474 294 S HA -0.110 4.365 4.470 0.009 0.000 0.235 294 S C 1.908 176.515 174.600 0.013 0.000 0.997 294 S CA 0.471 58.664 58.200 -0.012 0.000 0.949 294 S CB -0.056 63.120 63.200 -0.041 0.000 0.766 294 S HN 0.083 nan 8.310 nan 0.000 0.517 295 L N 0.624 121.831 121.223 -0.028 0.000 2.068 295 L HA 0.288 4.633 4.340 0.009 0.000 0.204 295 L C 2.202 179.012 176.870 -0.100 0.000 1.076 295 L CA 1.169 55.962 54.840 -0.080 0.000 0.753 295 L CB -0.789 41.184 42.059 -0.143 0.000 0.910 295 L HN 0.354 nan 8.230 nan 0.000 0.439 296 L N -0.213 120.978 121.223 -0.054 0.000 2.012 296 L HA -0.252 4.093 4.340 0.009 0.000 0.210 296 L C 2.571 179.471 176.870 0.051 0.000 1.073 296 L CA 2.277 57.112 54.840 -0.009 0.000 0.748 296 L CB -0.913 41.148 42.059 0.002 0.000 0.891 296 L HN 0.538 nan 8.230 nan 0.000 0.431 297 Q N -1.269 118.572 119.800 0.068 0.000 2.197 297 Q HA -0.291 4.054 4.340 0.009 0.000 0.207 297 Q C 1.998 178.109 176.000 0.184 0.000 0.984 297 Q CA 2.322 58.194 55.803 0.115 0.000 0.869 297 Q CB -0.622 28.163 28.738 0.079 0.000 0.906 297 Q HN 0.566 nan 8.270 nan 0.000 0.426 298 F N -0.466 119.488 119.950 0.007 0.000 2.187 298 F HA 0.015 4.547 4.527 0.009 0.000 0.295 298 F C 1.755 177.655 175.800 0.166 0.000 1.091 298 F CA 1.797 59.827 58.000 0.050 0.000 1.308 298 F CB -0.361 38.632 39.000 -0.011 0.000 1.030 298 F HN 0.238 nan 8.300 nan 0.000 0.487 299 H N -1.414 117.616 119.070 -0.067 0.000 2.363 299 H HA -0.080 4.482 4.556 0.009 0.000 0.301 299 H C 2.324 177.601 175.328 -0.084 0.000 1.074 299 H CA 1.194 57.140 56.048 -0.171 0.000 1.354 299 H CB -0.039 29.687 29.762 -0.059 0.000 1.397 299 H HN 0.111 nan 8.280 nan 0.000 0.516 300 V N 1.103 121.079 119.914 0.104 0.000 2.287 300 V HA -0.294 3.832 4.120 0.009 0.000 0.248 300 V C 2.667 178.848 176.094 0.145 0.000 1.053 300 V CA 1.756 64.103 62.300 0.078 0.000 1.027 300 V CB -0.826 31.034 31.823 0.062 0.000 0.646 300 V HN 0.515 nan 8.190 nan 0.000 0.447 301 A N -0.951 121.937 122.820 0.113 0.000 1.855 301 A HA -0.239 4.086 4.320 0.009 0.000 0.215 301 A C 2.431 180.051 177.584 0.060 0.000 1.191 301 A CA 2.458 54.564 52.037 0.114 0.000 0.613 301 A CB -1.153 17.938 19.000 0.152 0.000 0.829 301 A HN 0.430 nan 8.150 nan 0.000 0.442 302 T N -1.599 112.917 114.554 -0.063 0.000 2.737 302 T HA -0.221 4.134 4.350 0.009 0.000 0.269 302 T C 1.636 176.321 174.700 -0.025 0.000 1.040 302 T CA 1.812 63.818 62.100 -0.157 0.000 1.142 302 T CB -0.465 68.073 68.868 -0.550 0.000 0.861 302 T HN 0.604 nan 8.240 nan 0.000 0.456 303 Y N 0.655 120.893 120.300 -0.103 0.000 2.556 303 Y HA 0.004 4.559 4.550 0.009 0.000 0.290 303 Y C 1.619 177.508 175.900 -0.018 0.000 1.149 303 Y CA 1.151 59.215 58.100 -0.060 0.000 1.329 303 Y CB -0.294 38.141 38.460 -0.042 0.000 0.975 303 Y HN 0.274 nan 8.280 nan 0.000 0.561 304 M N -0.753 118.807 119.600 -0.068 0.000 2.300 304 M HA 0.201 4.686 4.480 0.009 0.000 0.313 304 M C -0.792 175.506 176.300 -0.004 0.000 0.988 304 M CA 0.128 55.366 55.300 -0.103 0.000 1.012 304 M CB 0.972 33.567 32.600 -0.008 0.000 1.586 304 M HN -0.020 nan 8.290 nan 0.000 0.562 305 D N -0.353 120.048 120.400 0.002 0.000 2.787 305 D HA 0.211 4.857 4.640 0.009 0.000 0.215 305 D C -0.916 175.394 176.300 0.017 0.000 1.246 305 D CA -0.046 53.969 54.000 0.024 0.000 0.798 305 D CB 1.227 42.060 40.800 0.055 0.000 1.649 305 D HN -0.032 nan 8.370 nan 0.000 0.507 306 N N 1.093 119.806 118.700 0.022 0.000 2.460 306 N HA 0.012 4.757 4.740 0.009 0.000 0.193 306 N C 0.066 175.608 175.510 0.054 0.000 1.080 306 N CA 0.123 53.193 53.050 0.032 0.000 0.869 306 N CB 0.708 39.208 38.487 0.022 0.000 1.201 306 N HN 0.389 nan 8.380 nan 0.000 0.457 307 D N 1.649 122.076 120.400 0.045 0.000 2.346 307 D HA 0.130 4.775 4.640 0.009 0.000 0.248 307 D C 0.454 176.787 176.300 0.055 0.000 1.173 307 D CA 0.138 54.166 54.000 0.046 0.000 0.878 307 D CB 0.366 41.185 40.800 0.032 0.000 0.919 307 D HN 0.314 nan 8.370 nan 0.000 0.513 308 I N 1.049 121.663 120.570 0.074 0.000 2.519 308 I HA 0.115 4.290 4.170 0.009 0.000 0.287 308 I C 0.898 177.067 176.117 0.087 0.000 1.047 308 I CA -0.785 60.564 61.300 0.083 0.000 1.381 308 I CB 0.999 39.063 38.000 0.108 0.000 1.417 308 I HN -0.091 nan 8.210 nan 0.000 0.540 309 A N 4.892 127.755 122.820 0.071 0.000 2.505 309 A HA 0.499 4.824 4.320 0.009 0.000 0.271 309 A C 0.816 178.441 177.584 0.068 0.000 1.112 309 A CA 0.878 52.951 52.037 0.060 0.000 0.781 309 A CB -0.656 18.372 19.000 0.047 0.000 1.059 309 A HN 1.112 nan 8.150 nan 0.000 0.508 310 G N 2.003 110.842 108.800 0.065 0.000 1.924 310 G HA2 0.118 4.084 3.960 0.009 0.000 0.077 310 G HA3 0.118 4.084 3.960 0.009 0.000 0.077 310 G C -0.316 174.616 174.900 0.054 0.000 1.448 310 G CA -0.076 45.054 45.100 0.051 0.000 1.087 310 G HN 0.790 nan 8.290 nan 0.000 0.304 311 Q N 0.806 120.675 119.800 0.115 0.000 2.421 311 Q HA 0.601 4.947 4.340 0.009 0.000 0.280 311 Q C -2.558 173.615 176.000 0.287 0.000 1.085 311 Q CA -1.684 54.203 55.803 0.140 0.000 0.807 311 Q CB 3.458 32.193 28.738 -0.005 0.000 1.405 311 Q HN 0.460 nan 8.270 nan 0.000 0.419 312 P HA 0.240 nan 4.420 nan 0.000 0.310 312 P C -1.300 176.151 177.300 0.252 0.000 1.309 312 P CA -0.537 62.681 63.100 0.197 0.000 0.769 312 P CB 1.060 32.831 31.700 0.119 0.000 1.327 313 Q N -0.910 118.974 119.800 0.140 0.000 2.342 313 Q HA 0.739 5.084 4.340 0.009 0.000 0.267 313 Q C -0.807 175.248 176.000 0.092 0.000 1.038 313 Q CA -0.767 55.101 55.803 0.109 0.000 0.832 313 Q CB 2.316 31.060 28.738 0.011 0.000 1.323 313 Q HN 0.603 nan 8.270 nan 0.000 0.448 322 V N -1.206 118.726 119.914 0.030 0.000 2.731 322 V HA 0.443 4.568 4.120 0.009 0.000 0.275 322 V C -2.145 173.953 176.094 0.006 0.000 1.859 322 V CA -0.694 61.621 62.300 0.025 0.000 0.858 322 V CB 1.678 33.518 31.823 0.029 0.000 1.365 322 V HN 0.891 nan 8.190 nan 0.000 0.394 323 K N 2.310 122.708 120.400 -0.003 0.000 2.589 323 K HA 0.450 4.775 4.320 0.009 0.000 0.298 323 K C -0.297 176.282 176.600 -0.035 0.000 1.136 323 K CA 0.323 56.597 56.287 -0.021 0.000 1.020 323 K CB 1.707 34.189 32.500 -0.031 0.000 1.345 323 K HN 0.983 nan 8.250 nan 0.000 0.478 324 S N 2.028 117.702 115.700 -0.044 0.000 2.301 324 S HA 0.462 4.937 4.470 0.009 0.000 0.245 324 S C 1.155 175.688 174.600 -0.112 0.000 1.191 324 S CA -0.597 57.556 58.200 -0.079 0.000 1.032 324 S CB 0.297 63.463 63.200 -0.057 0.000 1.104 324 S HN 0.487 nan 8.310 nan 0.000 0.453 325 I N 0.020 120.511 120.570 -0.131 0.000 3.445 325 I HA 0.183 4.358 4.170 0.009 0.000 0.288 325 I C 2.961 179.046 176.117 -0.053 0.000 1.198 325 I CA -0.141 61.087 61.300 -0.120 0.000 1.417 325 I CB -0.236 37.663 38.000 -0.168 0.000 1.205 325 I HN 0.494 nan 8.210 nan 0.000 0.448 326 R N 1.456 121.946 120.500 -0.017 0.000 2.115 326 R HA -0.238 4.108 4.340 0.009 0.000 0.239 326 R C 2.349 178.638 176.300 -0.017 0.000 1.133 326 R CA 2.117 58.221 56.100 0.007 0.000 0.935 326 R CB -0.545 29.777 30.300 0.036 0.000 0.853 326 R HN 0.350 nan 8.270 nan 0.000 0.433 327 A N 1.119 123.927 122.820 -0.020 0.000 2.009 327 A HA -0.253 4.072 4.320 0.009 0.000 0.222 327 A C 2.159 179.725 177.584 -0.030 0.000 1.175 327 A CA 1.777 53.801 52.037 -0.023 0.000 0.651 327 A CB -0.509 18.477 19.000 -0.023 0.000 0.815 327 A HN 0.361 nan 8.150 nan 0.000 0.459 328 R N -0.876 119.602 120.500 -0.038 0.000 2.062 328 R HA 0.043 4.389 4.340 0.009 0.000 0.229 328 R C 1.923 178.201 176.300 -0.037 0.000 1.128 328 R CA 1.480 57.556 56.100 -0.039 0.000 0.960 328 R CB -0.394 29.878 30.300 -0.046 0.000 0.855 328 R HN 0.562 nan 8.270 nan 0.000 0.432 329 L N 0.570 121.768 121.223 -0.041 0.000 2.418 329 L HA 0.069 4.415 4.340 0.009 0.000 0.218 329 L C 0.850 177.693 176.870 -0.045 0.000 1.125 329 L CA 0.266 55.079 54.840 -0.046 0.000 0.835 329 L CB -0.293 41.727 42.059 -0.064 0.000 0.953 329 L HN 0.017 nan 8.230 nan 0.000 0.454 330 K N 1.655 122.032 120.400 -0.040 0.000 2.524 330 K HA 0.065 4.390 4.320 0.009 0.000 0.279 330 K C 0.723 177.298 176.600 -0.041 0.000 0.993 330 K CA 0.042 56.306 56.287 -0.039 0.000 1.030 330 K CB 0.491 32.973 32.500 -0.030 0.000 0.891 330 K HN 0.141 nan 8.250 nan 0.000 0.488 331 G N 2.837 111.607 108.800 -0.050 0.000 2.257 331 G HA2 -0.077 3.888 3.960 0.009 0.000 0.235 331 G HA3 -0.077 3.888 3.960 0.009 0.000 0.235 331 G C -0.422 174.453 174.900 -0.043 0.000 1.225 331 G CA 0.035 45.103 45.100 -0.054 0.000 0.878 331 G HN 0.705 nan 8.290 nan 0.000 0.505 332 K N 0.976 121.355 120.400 -0.035 0.000 7.487 332 K HA -0.222 4.103 4.320 0.009 0.000 0.616 332 K C 0.898 177.484 176.600 -0.023 0.000 2.591 332 K CA 1.253 57.524 56.287 -0.025 0.000 1.991 332 K CB -0.221 32.264 32.500 -0.025 0.000 2.106 332 K HN 0.908 nan 8.250 nan 0.000 0.261 333 E N -1.842 118.347 120.200 -0.018 0.000 3.426 333 E HA -0.236 4.120 4.350 0.009 0.000 0.291 333 E C 0.336 176.924 176.600 -0.020 0.000 0.898 333 E CA 2.046 58.436 56.400 -0.017 0.000 0.970 333 E CB -1.598 28.092 29.700 -0.017 0.000 1.489 333 E HN 0.836 nan 8.360 nan 0.000 0.461 334 G N -0.575 108.212 108.800 -0.022 0.000 2.719 334 G HA2 0.472 4.437 3.960 0.009 0.000 0.298 334 G HA3 0.472 4.437 3.960 0.009 0.000 0.298 334 G C 0.593 175.478 174.900 -0.025 0.000 1.433 334 G CA -0.246 44.839 45.100 -0.025 0.000 1.034 334 G HN -0.085 nan 8.290 nan 0.000 0.517 335 R N 0.808 121.293 120.500 -0.024 0.000 3.508 335 R HA -0.338 4.008 4.340 0.009 0.000 0.571 335 R C 2.199 178.487 176.300 -0.019 0.000 0.242 335 R CA 1.933 58.019 56.100 -0.023 0.000 1.588 335 R CB -1.599 28.685 30.300 -0.026 0.000 0.785 335 R HN 0.649 nan 8.270 nan 0.000 0.576 336 I N 1.078 121.635 120.570 -0.021 0.000 2.130 336 I HA -0.404 3.772 4.170 0.009 0.000 0.241 336 I C 2.847 178.957 176.117 -0.012 0.000 1.023 336 I CA 2.313 63.603 61.300 -0.017 0.000 1.293 336 I CB -0.338 37.649 38.000 -0.022 0.000 1.001 336 I HN 0.335 nan 8.210 nan 0.000 0.407 337 R N -0.009 120.481 120.500 -0.015 0.000 2.066 337 R HA -0.070 4.275 4.340 0.009 0.000 0.232 337 R C 2.039 178.333 176.300 -0.010 0.000 1.131 337 R CA 1.548 57.642 56.100 -0.011 0.000 0.955 337 R CB -0.475 29.814 30.300 -0.018 0.000 0.851 337 R HN 0.493 nan 8.270 nan 0.000 0.432 338 G N -0.808 107.985 108.800 -0.012 0.000 3.126 338 G HA2 -0.005 3.960 3.960 0.009 0.000 0.224 338 G HA3 -0.005 3.960 3.960 0.009 0.000 0.224 338 G C 0.701 175.595 174.900 -0.009 0.000 1.142 338 G CA -0.194 44.900 45.100 -0.010 0.000 0.759 338 G HN 0.197 nan 8.290 nan 0.000 0.550 339 N N -0.567 118.126 118.700 -0.011 0.000 2.324 339 N HA 0.178 4.923 4.740 0.009 0.000 0.235 339 N C 1.730 177.234 175.510 -0.010 0.000 1.162 339 N CA -0.067 52.977 53.050 -0.011 0.000 0.834 339 N CB 0.579 39.058 38.487 -0.014 0.000 1.354 339 N HN 0.178 nan 8.380 nan 0.000 0.471 340 L N 0.379 121.596 121.223 -0.010 0.000 2.269 340 L HA 0.279 4.624 4.340 0.009 0.000 0.200 340 L C 1.892 178.757 176.870 -0.009 0.000 1.069 340 L CA 0.629 55.463 54.840 -0.009 0.000 0.804 340 L CB 0.042 42.096 42.059 -0.008 0.000 0.987 340 L HN -0.020 nan 8.230 nan 0.000 0.468 341 M N -1.168 118.428 119.600 -0.007 0.000 2.465 341 M HA 0.202 4.687 4.480 0.009 0.000 0.249 341 M C 0.459 176.754 176.300 -0.009 0.000 1.130 341 M CA 0.134 55.430 55.300 -0.007 0.000 1.067 341 M CB 0.592 33.191 32.600 -0.002 0.000 1.394 341 M HN 0.173 nan 8.290 nan 0.000 0.483 342 G N 1.544 110.339 108.800 -0.007 0.000 2.883 342 G HA2 0.519 4.484 3.960 0.009 0.000 0.285 342 G HA3 0.519 4.484 3.960 0.009 0.000 0.285 342 G C -0.978 173.921 174.900 -0.003 0.000 1.526 342 G CA -0.562 44.535 45.100 -0.006 0.000 1.062 342 G HN 0.096 nan 8.290 nan 0.000 0.550 343 K N 1.305 121.704 120.400 -0.001 0.000 2.306 343 K HA 0.583 4.908 4.320 0.009 0.000 0.236 343 K C -0.229 176.380 176.600 0.016 0.000 1.013 343 K CA -1.104 55.185 56.287 0.003 0.000 0.857 343 K CB 2.160 34.661 32.500 0.001 0.000 1.214 343 K HN 0.232 nan 8.250 nan 0.000 0.449 344 R N 1.759 122.269 120.500 0.016 0.000 2.196 344 R HA 0.190 4.536 4.340 0.009 0.000 0.340 344 R C -0.139 176.180 176.300 0.030 0.000 1.043 344 R CA -0.408 55.709 56.100 0.028 0.000 0.883 344 R CB 0.610 30.918 30.300 0.014 0.000 1.078 344 R HN 0.474 nan 8.270 nan 0.000 0.462 345 V N -0.650 119.302 119.914 0.063 0.000 2.834 345 V HA 0.425 4.551 4.120 0.009 0.000 0.313 345 V C 0.249 176.375 176.094 0.053 0.000 1.060 345 V CA -1.061 61.280 62.300 0.069 0.000 0.989 345 V CB 1.734 33.625 31.823 0.113 0.000 1.041 345 V HN 0.451 nan 8.190 nan 0.000 0.459 346 D N 0.941 121.337 120.400 -0.007 0.000 2.411 346 D HA 0.426 5.072 4.640 0.009 0.000 0.251 346 D C 0.096 176.374 176.300 -0.036 0.000 1.201 346 D CA 0.028 53.908 54.000 -0.200 0.000 0.996 346 D CB 0.298 40.775 40.800 -0.539 0.000 1.101 346 D HN 0.732 nan 8.370 nan 0.000 0.504 347 F N -0.959 119.044 119.950 0.087 0.000 2.983 347 F HA -0.246 4.285 4.527 0.007 0.000 0.288 347 F C 0.352 176.222 175.800 0.117 0.000 0.980 347 F CA 0.022 58.084 58.000 0.104 0.000 0.965 347 F CB -1.983 37.081 39.000 0.106 0.000 0.967 347 F HN 0.148 nan 8.300 nan 0.000 0.800 348 S N -0.462 115.347 115.700 0.181 0.000 2.599 348 S HA 1.004 5.479 4.470 0.009 0.000 0.294 348 S C -0.445 174.195 174.600 0.065 0.000 1.094 348 S CA -0.252 57.990 58.200 0.071 0.000 0.931 348 S CB 2.816 66.047 63.200 0.052 0.000 1.093 348 S HN 1.298 nan 8.310 nan 0.000 0.488 349 A N 1.059 123.909 122.820 0.050 0.000 2.594 349 A HA 0.905 5.230 4.320 0.009 0.000 0.295 349 A C -0.853 176.875 177.584 0.239 0.000 1.071 349 A CA -0.881 51.252 52.037 0.161 0.000 0.685 349 A CB 1.729 20.893 19.000 0.273 0.000 1.285 349 A HN 1.039 nan 8.150 nan 0.000 0.405 350 R N 0.472 121.107 120.500 0.224 0.000 2.566 350 R HA 0.729 5.074 4.340 0.009 0.000 0.271 350 R C -1.231 175.137 176.300 0.113 0.000 1.071 350 R CA 0.176 56.435 56.100 0.266 0.000 0.915 350 R CB 2.031 32.406 30.300 0.124 0.000 1.228 350 R HN 1.054 nan 8.270 nan 0.000 0.449 351 T N -0.359 114.273 114.554 0.130 0.000 2.648 351 T HA 0.297 4.652 4.350 0.009 0.000 0.304 351 T C -0.719 174.018 174.700 0.063 0.000 1.312 351 T CA -0.674 61.399 62.100 -0.045 0.000 1.023 351 T CB 0.761 69.433 68.868 -0.327 0.000 1.612 351 T HN 0.218 nan 8.240 nan 0.000 0.487 352 V N 1.548 121.470 119.914 0.013 0.000 2.953 352 V HA 0.571 4.696 4.120 0.009 0.000 0.304 352 V C 0.215 176.391 176.094 0.137 0.000 1.073 352 V CA -0.487 61.857 62.300 0.073 0.000 1.064 352 V CB 0.679 32.524 31.823 0.037 0.000 1.047 352 V HN 0.807 nan 8.190 nan 0.000 0.478 353 I N 0.844 121.544 120.570 0.217 0.000 2.797 353 I HA 0.961 5.136 4.170 0.009 0.000 0.307 353 I C -0.228 176.080 176.117 0.319 0.000 1.033 353 I CA -0.413 61.073 61.300 0.310 0.000 1.071 353 I CB 2.410 40.662 38.000 0.420 0.000 1.255 353 I HN 0.646 nan 8.210 nan 0.000 0.445 354 S N 1.749 117.498 115.700 0.082 0.000 2.550 354 S HA 0.750 5.225 4.470 0.009 0.000 0.270 354 S C -0.330 173.637 174.600 -1.055 0.000 1.145 354 S CA -0.611 57.238 58.200 -0.585 0.000 0.852 354 S CB 1.003 64.004 63.200 -0.332 0.000 1.119 354 S HN 1.189 nan 8.310 nan 0.000 0.465 355 G N 0.318 107.859 108.800 -2.098 0.000 2.467 355 G HA2 0.479 4.445 3.960 0.009 0.000 0.257 355 G HA3 0.479 4.445 3.960 0.009 0.000 0.257 355 G C -1.046 173.613 174.900 -0.402 0.000 1.227 355 G CA -0.144 44.394 45.100 -0.937 0.000 0.835 355 G HN 0.737 nan 8.290 nan 0.000 0.556 356 D N 1.854 122.149 120.400 -0.176 0.000 2.476 356 D HA 0.249 4.894 4.640 0.009 0.000 0.251 356 D C -1.702 174.566 176.300 -0.053 0.000 1.291 356 D CA -1.631 52.301 54.000 -0.113 0.000 0.939 356 D CB 2.450 43.198 40.800 -0.086 0.000 1.221 356 D HN 0.130 nan 8.370 nan 0.000 0.567 357 P HA 0.012 nan 4.420 nan 0.000 0.234 357 P C 0.083 177.370 177.300 -0.022 0.000 1.167 357 P CA 0.302 63.382 63.100 -0.033 0.000 0.763 357 P CB 0.450 32.116 31.700 -0.055 0.000 0.835 358 N N -0.026 118.671 118.700 -0.005 0.000 2.467 358 N HA 0.243 4.988 4.740 0.009 0.000 0.278 358 N C -0.222 175.309 175.510 0.035 0.000 1.306 358 N CA -0.050 53.020 53.050 0.033 0.000 0.905 358 N CB 0.869 39.400 38.487 0.073 0.000 1.236 358 N HN 0.247 nan 8.380 nan 0.000 0.509 359 L N 0.529 121.764 121.223 0.021 0.000 2.381 359 L HA 0.345 4.690 4.340 0.009 0.000 0.268 359 L C -0.031 176.858 176.870 0.031 0.000 0.997 359 L CA -0.765 54.085 54.840 0.016 0.000 0.818 359 L CB 2.273 44.327 42.059 -0.009 0.000 1.310 359 L HN -0.114 nan 8.230 nan 0.000 0.416 360 E N 1.978 122.200 120.200 0.037 0.000 2.383 360 E HA 0.006 4.361 4.350 0.009 0.000 0.264 360 E C 0.698 177.331 176.600 0.054 0.000 1.050 360 E CA -0.220 56.213 56.400 0.055 0.000 0.896 360 E CB 1.208 30.942 29.700 0.057 0.000 0.982 360 E HN 0.468 nan 8.360 nan 0.000 0.424 361 L N 3.403 124.661 121.223 0.058 0.000 2.011 361 L HA -0.278 4.067 4.340 0.009 0.000 0.225 361 L C 1.450 178.371 176.870 0.086 0.000 1.084 361 L CA 2.617 57.467 54.840 0.017 0.000 0.791 361 L CB -0.564 41.444 42.059 -0.085 0.000 0.898 361 L HN 0.621 nan 8.230 nan 0.000 0.440 362 D N -1.426 119.034 120.400 0.100 0.000 2.363 362 D HA -0.076 4.569 4.640 0.009 0.000 0.226 362 D C 0.814 177.269 176.300 0.260 0.000 1.020 362 D CA 0.164 54.277 54.000 0.187 0.000 0.892 362 D CB -0.182 40.665 40.800 0.078 0.000 0.900 362 D HN 0.632 nan 8.370 nan 0.000 0.531 363 Q N -0.511 119.367 119.800 0.130 0.000 2.173 363 Q HA 0.575 4.921 4.340 0.009 0.000 0.186 363 Q C -0.851 175.062 176.000 -0.145 0.000 1.018 363 Q CA -0.988 54.839 55.803 0.039 0.000 1.064 363 Q CB 2.295 31.032 28.738 -0.001 0.000 1.130 363 Q HN 0.028 nan 8.270 nan 0.000 0.553 364 V N -0.709 119.074 119.914 -0.218 0.000 2.882 364 V HA 0.516 4.641 4.120 0.009 0.000 0.295 364 V C -1.323 174.625 176.094 -0.244 0.000 1.273 364 V CA -0.445 61.591 62.300 -0.439 0.000 0.949 364 V CB 1.892 33.231 31.823 -0.807 0.000 1.071 364 V HN 0.779 nan 8.190 nan 0.000 0.432 365 G N 5.178 113.874 108.800 -0.173 0.000 2.356 365 G HA2 0.527 4.492 3.960 0.009 0.000 0.300 365 G HA3 0.527 4.492 3.960 0.009 0.000 0.300 365 G C -0.651 174.272 174.900 0.039 0.000 1.107 365 G CA -0.232 44.833 45.100 -0.058 0.000 0.960 365 G HN 0.931 nan 8.290 nan 0.000 0.418 366 V N 6.205 126.136 119.914 0.029 0.000 2.350 366 V HA 0.266 4.391 4.120 0.009 0.000 0.276 366 V C -1.782 174.283 176.094 -0.048 0.000 1.028 366 V CA -1.823 60.534 62.300 0.094 0.000 0.860 366 V CB 1.719 33.614 31.823 0.120 0.000 0.990 366 V HN 0.626 nan 8.190 nan 0.000 0.453 367 P HA 0.004 nan 4.420 nan 0.000 0.262 367 P C 0.804 178.007 177.300 -0.162 0.000 1.199 367 P CA 0.194 63.205 63.100 -0.148 0.000 0.763 367 P CB 0.765 32.349 31.700 -0.193 0.000 0.790 368 K N 3.847 124.130 120.400 -0.196 0.000 2.097 368 K HA -0.333 3.992 4.320 0.009 0.000 0.223 368 K C 2.035 178.522 176.600 -0.188 0.000 1.049 368 K CA 3.036 59.170 56.287 -0.255 0.000 0.956 368 K CB -0.625 31.734 32.500 -0.235 0.000 0.746 368 K HN 0.556 nan 8.250 nan 0.000 0.461 369 S N 0.586 116.199 115.700 -0.145 0.000 2.359 369 S HA -0.224 4.251 4.470 0.009 0.000 0.223 369 S C 2.067 176.618 174.600 -0.082 0.000 1.039 369 S CA 1.849 59.984 58.200 -0.108 0.000 1.042 369 S CB -0.830 62.315 63.200 -0.092 0.000 0.915 369 S HN 0.429 nan 8.310 nan 0.000 0.439 370 I N 2.513 123.033 120.570 -0.083 0.000 2.208 370 I HA -0.216 3.959 4.170 0.009 0.000 0.245 370 I C 3.095 179.227 176.117 0.024 0.000 1.097 370 I CA 1.308 62.592 61.300 -0.027 0.000 1.363 370 I CB -0.800 37.174 38.000 -0.043 0.000 1.051 370 I HN 0.486 nan 8.210 nan 0.000 0.413 371 A N 0.471 123.283 122.820 -0.013 0.000 1.972 371 A HA -0.209 4.116 4.320 0.009 0.000 0.219 371 A C 2.256 179.863 177.584 0.039 0.000 1.169 371 A CA 1.439 53.500 52.037 0.041 0.000 0.635 371 A CB -0.407 18.570 19.000 -0.038 0.000 0.810 371 A HN 0.324 nan 8.150 nan 0.000 0.446 372 K N -1.028 119.305 120.400 -0.112 0.000 2.439 372 K HA -0.034 4.292 4.320 0.009 0.000 0.197 372 K C 1.531 178.155 176.600 0.041 0.000 1.041 372 K CA 1.350 57.435 56.287 -0.336 0.000 0.970 372 K CB -0.049 32.282 32.500 -0.283 0.000 0.773 372 K HN 0.499 nan 8.250 nan 0.000 0.479 373 T N 0.873 115.485 114.554 0.097 0.000 2.980 373 T HA 0.140 4.495 4.350 0.009 0.000 0.239 373 T C 0.576 175.411 174.700 0.224 0.000 1.011 373 T CA -0.024 62.162 62.100 0.144 0.000 1.171 373 T CB 0.128 69.049 68.868 0.089 0.000 0.873 373 T HN -0.017 nan 8.240 nan 0.000 0.431 374 L N 1.945 123.304 121.223 0.227 0.000 2.490 374 L HA 0.284 4.629 4.340 0.009 0.000 0.274 374 L C 0.559 177.621 176.870 0.320 0.000 1.201 374 L CA 0.142 55.162 54.840 0.300 0.000 0.869 374 L CB 0.291 42.506 42.059 0.260 0.000 1.123 374 L HN 0.167 nan 8.230 nan 0.000 0.484 375 T N 1.173 115.935 114.554 0.347 0.000 2.831 375 T HA 0.548 4.903 4.350 0.009 0.000 0.287 375 T C -1.806 172.987 174.700 0.154 0.000 1.070 375 T CA -0.443 61.815 62.100 0.263 0.000 1.010 375 T CB 1.269 70.302 68.868 0.274 0.000 1.264 375 T HN 0.439 nan 8.240 nan 0.000 0.532 376 Y N 2.741 123.036 120.300 -0.008 0.000 2.307 376 Y HA 0.439 4.994 4.550 0.008 0.000 0.323 376 Y C -2.572 173.299 175.900 -0.049 0.000 1.100 376 Y CA -2.136 55.913 58.100 -0.085 0.000 1.140 376 Y CB 1.960 40.394 38.460 -0.044 0.000 1.159 376 Y HN 0.326 nan 8.280 nan 0.000 0.436 377 P HA -0.015 nan 4.420 nan 0.000 0.263 377 P C -0.833 176.344 177.300 -0.206 0.000 1.345 377 P CA 0.538 63.462 63.100 -0.293 0.000 1.119 377 P CB 0.503 32.007 31.700 -0.326 0.000 1.363 378 E N 3.282 123.554 120.200 0.120 0.000 2.175 378 E HA 0.328 4.684 4.350 0.009 0.000 0.278 378 E C -0.875 175.810 176.600 0.142 0.000 0.969 378 E CA -0.957 55.588 56.400 0.242 0.000 0.796 378 E CB 1.192 31.064 29.700 0.286 0.000 1.104 378 E HN 0.055 nan 8.360 nan 0.000 0.395 379 V N 4.693 124.684 119.914 0.128 0.000 2.649 379 V HA 0.105 4.230 4.120 0.009 0.000 0.292 379 V C -0.001 176.164 176.094 0.119 0.000 1.055 379 V CA -0.695 61.675 62.300 0.117 0.000 1.023 379 V CB 1.574 33.453 31.823 0.094 0.000 0.992 379 V HN 0.608 nan 8.190 nan 0.000 0.480 380 V N 4.504 124.504 119.914 0.142 0.000 2.585 380 V HA 0.266 4.391 4.120 0.009 0.000 0.296 380 V C 0.469 176.602 176.094 0.065 0.000 1.035 380 V CA 0.514 62.894 62.300 0.133 0.000 1.084 380 V CB 0.749 32.677 31.823 0.175 0.000 0.953 380 V HN 1.017 nan 8.190 nan 0.000 0.483 381 T N 7.116 121.666 114.554 -0.007 0.000 2.993 381 T HA 0.365 4.720 4.350 0.009 0.000 0.312 381 T C -1.871 172.632 174.700 -0.328 0.000 1.115 381 T CA -0.785 61.162 62.100 -0.255 0.000 1.027 381 T CB 2.368 71.113 68.868 -0.205 0.000 1.116 381 T HN 0.448 nan 8.240 nan 0.000 0.464 382 P HA -0.176 nan 4.420 nan 0.000 0.218 382 P C 0.704 177.877 177.300 -0.213 0.000 1.147 382 P CA 1.545 64.396 63.100 -0.415 0.000 0.827 382 P CB -0.129 31.205 31.700 -0.609 0.000 0.778 383 Y N 0.285 120.546 120.300 -0.064 0.000 2.553 383 Y HA 0.003 4.558 4.550 0.009 0.000 0.303 383 Y C 1.825 177.724 175.900 -0.002 0.000 1.194 383 Y CA 0.269 58.353 58.100 -0.026 0.000 1.305 383 Y CB -0.718 37.724 38.460 -0.030 0.000 1.045 383 Y HN 0.218 nan 8.280 nan 0.000 0.514 384 N N -2.117 116.638 118.700 0.092 0.000 2.011 384 N HA -0.059 4.687 4.740 0.009 0.000 0.254 384 N C 0.949 176.501 175.510 0.070 0.000 1.205 384 N CA -0.033 53.068 53.050 0.085 0.000 0.783 384 N CB -0.836 37.705 38.487 0.090 0.000 1.472 384 N HN 0.215 nan 8.380 nan 0.000 0.524 385 I N 1.759 122.377 120.570 0.080 0.000 2.346 385 I HA -0.462 3.713 4.170 0.009 0.000 0.240 385 I C 1.192 177.336 176.117 0.046 0.000 0.970 385 I CA 2.411 63.758 61.300 0.078 0.000 1.269 385 I CB -0.311 37.755 38.000 0.110 0.000 0.971 385 I HN 0.255 nan 8.210 nan 0.000 0.412 386 D N -0.228 120.198 120.400 0.043 0.000 2.127 386 D HA -0.273 4.372 4.640 0.009 0.000 0.190 386 D C 2.113 178.427 176.300 0.024 0.000 1.000 386 D CA 1.882 55.899 54.000 0.028 0.000 0.839 386 D CB -0.487 40.330 40.800 0.029 0.000 0.955 386 D HN 0.453 nan 8.370 nan 0.000 0.446 387 R N 0.643 121.161 120.500 0.030 0.000 2.073 387 R HA -0.090 4.255 4.340 0.009 0.000 0.234 387 R C 2.675 178.989 176.300 0.022 0.000 1.134 387 R CA 0.731 56.846 56.100 0.023 0.000 0.952 387 R CB -0.453 29.862 30.300 0.026 0.000 0.850 387 R HN 0.165 nan 8.270 nan 0.000 0.433 388 L N 0.181 121.425 121.223 0.035 0.000 1.989 388 L HA -0.195 4.150 4.340 0.009 0.000 0.211 388 L C 2.551 179.439 176.870 0.030 0.000 1.071 388 L CA 2.033 56.897 54.840 0.040 0.000 0.749 388 L CB -0.615 41.482 42.059 0.063 0.000 0.890 388 L HN 0.308 nan 8.230 nan 0.000 0.431 389 T N -1.272 113.297 114.554 0.025 0.000 2.684 389 T HA -0.303 4.052 4.350 0.009 0.000 0.267 389 T C 1.737 176.442 174.700 0.009 0.000 1.036 389 T CA 1.754 63.863 62.100 0.014 0.000 1.148 389 T CB -0.194 68.673 68.868 -0.002 0.000 0.863 389 T HN 0.256 nan 8.240 nan 0.000 0.436 390 Q N 1.002 120.806 119.800 0.007 0.000 2.077 390 Q HA -0.099 4.246 4.340 0.009 0.000 0.206 390 Q C 2.074 178.073 176.000 -0.001 0.000 0.989 390 Q CA 1.704 57.508 55.803 0.003 0.000 0.853 390 Q CB -0.732 28.008 28.738 0.004 0.000 0.907 390 Q HN 0.559 nan 8.270 nan 0.000 0.418 391 L N -0.786 120.434 121.223 -0.005 0.000 2.005 391 L HA -0.139 4.207 4.340 0.009 0.000 0.207 391 L C 2.375 179.230 176.870 -0.024 0.000 1.072 391 L CA 1.212 56.041 54.840 -0.019 0.000 0.744 391 L CB -0.966 41.075 42.059 -0.030 0.000 0.895 391 L HN 0.110 nan 8.230 nan 0.000 0.433 392 V N 0.160 120.067 119.914 -0.012 0.000 2.439 392 V HA -0.314 3.811 4.120 0.009 0.000 0.253 392 V C 2.647 178.737 176.094 -0.007 0.000 1.074 392 V CA 1.816 64.111 62.300 -0.008 0.000 1.076 392 V CB -0.831 31.008 31.823 0.026 0.000 0.664 392 V HN 0.434 nan 8.190 nan 0.000 0.461 393 R N -0.230 120.270 120.500 -0.001 0.000 2.115 393 R HA -0.045 4.300 4.340 0.009 0.000 0.226 393 R C 2.195 178.495 176.300 -0.000 0.000 1.100 393 R CA 0.985 57.086 56.100 0.002 0.000 0.980 393 R CB -0.345 29.957 30.300 0.003 0.000 0.875 393 R HN 0.508 nan 8.270 nan 0.000 0.445 394 N N 0.410 119.109 118.700 -0.002 0.000 2.364 394 N HA -0.071 4.674 4.740 0.009 0.000 0.183 394 N C 0.756 176.273 175.510 0.012 0.000 1.022 394 N CA 1.279 54.333 53.050 0.006 0.000 0.883 394 N CB 0.002 38.493 38.487 0.008 0.000 0.965 394 N HN 0.316 nan 8.380 nan 0.000 0.438 395 G N 0.708 109.503 108.800 -0.009 0.000 2.846 395 G HA2 -0.179 3.787 3.960 0.009 0.000 0.660 395 G HA3 -0.179 3.787 3.960 0.009 0.000 0.660 395 G C -1.975 172.938 174.900 0.021 0.000 1.464 395 G CA -0.220 44.870 45.100 -0.016 0.000 0.891 395 G HN 0.100 nan 8.290 nan 0.000 0.552 396 P HA 0.010 nan 4.420 nan 0.000 0.251 396 P C 0.393 177.798 177.300 0.175 0.000 1.251 396 P CA 1.088 64.245 63.100 0.095 0.000 0.763 396 P CB -0.272 31.392 31.700 -0.061 0.000 1.067 397 N N -0.913 117.858 118.700 0.118 0.000 2.390 397 N HA 0.148 4.893 4.740 0.009 0.000 0.259 397 N C -0.550 174.985 175.510 0.042 0.000 1.395 397 N CA -0.261 52.824 53.050 0.058 0.000 0.852 397 N CB 0.731 39.233 38.487 0.026 0.000 1.371 397 N HN 0.120 nan 8.380 nan 0.000 0.491 398 E N -0.352 119.892 120.200 0.074 0.000 2.275 398 E HA 0.152 4.507 4.350 0.009 0.000 0.270 398 E C -0.000 176.646 176.600 0.078 0.000 0.882 398 E CA -0.488 55.946 56.400 0.056 0.000 0.758 398 E CB 1.294 31.021 29.700 0.046 0.000 1.195 398 E HN 0.179 nan 8.360 nan 0.000 0.419 399 H N 4.891 123.937 119.070 -0.039 0.000 2.371 399 H HA -0.103 4.457 4.556 0.008 0.000 0.292 399 H C -1.359 174.021 175.328 0.086 0.000 1.066 399 H CA 2.430 58.437 56.048 -0.068 0.000 1.153 399 H CB -0.834 28.887 29.762 -0.069 0.000 1.375 399 H HN 0.394 nan 8.280 nan 0.000 0.558 400 P HA 0.060 nan 4.420 nan 0.000 0.311 400 P C -0.211 177.041 177.300 -0.081 0.000 1.543 400 P CA 0.885 63.760 63.100 -0.375 0.000 0.766 400 P CB -0.499 31.096 31.700 -0.175 0.000 1.711 401 G N -0.622 108.271 108.800 0.154 0.000 2.702 401 G HA2 0.759 4.724 3.960 0.009 0.000 0.254 401 G HA3 0.759 4.724 3.960 0.009 0.000 0.254 401 G C -0.866 173.821 174.900 -0.356 0.000 1.380 401 G CA -0.250 44.885 45.100 0.059 0.000 1.042 401 G HN 0.283 nan 8.290 nan 0.000 0.557 402 A N -1.465 121.057 122.820 -0.496 0.000 2.567 402 A HA 0.851 5.176 4.320 0.009 0.000 0.289 402 A C -1.026 176.305 177.584 -0.421 0.000 1.177 402 A CA -0.713 50.964 52.037 -0.601 0.000 0.694 402 A CB 1.540 20.396 19.000 -0.241 0.000 1.292 402 A HN 0.595 nan 8.150 nan 0.000 0.425 403 K N -0.575 119.648 120.400 -0.295 0.000 2.482 403 K HA 0.650 4.975 4.320 0.009 0.000 0.257 403 K C -1.693 174.811 176.600 -0.159 0.000 0.969 403 K CA -0.734 55.367 56.287 -0.309 0.000 0.842 403 K CB 1.743 34.047 32.500 -0.327 0.000 1.359 403 K HN 0.684 nan 8.250 nan 0.000 0.441 404 Y N -1.010 119.255 120.300 -0.059 0.000 2.525 404 Y HA -0.258 4.300 4.550 0.014 0.000 0.028 404 Y C -0.543 175.339 175.900 -0.029 0.000 1.718 404 Y CA -0.387 57.688 58.100 -0.042 0.000 1.406 404 Y CB -0.631 37.813 38.460 -0.027 0.000 2.052 404 Y HN 0.203 nan 8.280 nan 0.000 0.257 405 V N 5.765 125.766 119.914 0.146 0.000 2.482 405 V HA 0.455 4.580 4.120 0.009 0.000 0.295 405 V C -0.042 176.015 176.094 -0.060 0.000 1.026 405 V CA -0.833 61.508 62.300 0.069 0.000 0.856 405 V CB 1.681 33.565 31.823 0.101 0.000 1.001 405 V HN 0.473 nan 8.190 nan 0.000 0.424 406 I N 5.159 125.678 120.570 -0.086 0.000 2.353 406 I HA 0.563 4.738 4.170 0.009 0.000 0.293 406 I C 0.339 176.198 176.117 -0.430 0.000 0.992 406 I CA -0.442 60.738 61.300 -0.200 0.000 1.268 406 I CB 1.296 39.232 38.000 -0.108 0.000 1.387 406 I HN 0.537 nan 8.210 nan 0.000 0.478 407 R N 3.153 123.296 120.500 -0.595 0.000 2.902 407 R HA 0.308 4.654 4.340 0.009 0.000 0.258 407 R C 0.423 176.491 176.300 -0.387 0.000 1.071 407 R CA -0.851 54.693 56.100 -0.926 0.000 1.024 407 R CB 0.910 30.520 30.300 -1.150 0.000 1.184 407 R HN 0.471 nan 8.270 nan 0.000 0.492 408 D N 0.650 120.915 120.400 -0.225 0.000 2.204 408 D HA -0.241 4.404 4.640 0.009 0.000 0.189 408 D C 1.653 177.927 176.300 -0.043 0.000 1.006 408 D CA 2.584 56.574 54.000 -0.017 0.000 0.855 408 D CB -0.363 40.493 40.800 0.094 0.000 0.946 408 D HN 0.572 nan 8.370 nan 0.000 0.448 409 S N -0.932 114.728 115.700 -0.067 0.000 2.442 409 S HA 0.078 4.553 4.470 0.009 0.000 0.236 409 S C 1.735 176.299 174.600 -0.061 0.000 1.007 409 S CA 1.140 59.309 58.200 -0.051 0.000 0.965 409 S CB 0.084 63.254 63.200 -0.051 0.000 0.773 409 S HN 0.506 nan 8.310 nan 0.000 0.504 410 G N 0.939 109.678 108.800 -0.101 0.000 2.141 410 G HA2 -0.126 3.840 3.960 0.009 0.000 0.195 410 G HA3 -0.126 3.840 3.960 0.009 0.000 0.195 410 G C -0.644 174.191 174.900 -0.109 0.000 1.012 410 G CA -0.130 44.915 45.100 -0.093 0.000 0.696 410 G HN 0.479 nan 8.290 nan 0.000 0.508 411 D N -0.222 120.090 120.400 -0.147 0.000 2.253 411 D HA 0.488 5.133 4.640 0.009 0.000 0.249 411 D C 0.510 176.720 176.300 -0.151 0.000 1.049 411 D CA -0.215 53.705 54.000 -0.133 0.000 0.929 411 D CB 1.074 41.795 40.800 -0.132 0.000 1.176 411 D HN 0.182 nan 8.370 nan 0.000 0.437 412 R N 1.708 122.146 120.500 -0.102 0.000 2.275 412 R HA 0.387 4.733 4.340 0.009 0.000 0.326 412 R C -0.378 175.932 176.300 0.017 0.000 0.973 412 R CA -0.535 55.521 56.100 -0.073 0.000 0.854 412 R CB 0.591 30.809 30.300 -0.137 0.000 1.156 412 R HN 0.358 nan 8.270 nan 0.000 0.487 413 I N 3.086 123.667 120.570 0.018 0.000 2.347 413 I HA -0.004 4.171 4.170 0.009 0.000 0.294 413 I C 0.304 176.500 176.117 0.133 0.000 1.090 413 I CA -0.018 61.312 61.300 0.049 0.000 1.314 413 I CB 0.650 38.653 38.000 0.006 0.000 1.423 413 I HN 0.400 nan 8.210 nan 0.000 0.503 414 D N 7.637 128.118 120.400 0.135 0.000 2.344 414 D HA 0.064 4.709 4.640 0.009 0.000 0.253 414 D C 1.021 177.243 176.300 -0.130 0.000 1.255 414 D CA -0.069 53.945 54.000 0.023 0.000 0.894 414 D CB 1.072 41.907 40.800 0.058 0.000 1.067 414 D HN 0.511 nan 8.370 nan 0.000 0.492 415 L N 3.922 125.017 121.223 -0.213 0.000 2.642 415 L HA -0.124 4.221 4.340 0.009 0.000 0.236 415 L C 2.247 179.005 176.870 -0.185 0.000 1.169 415 L CA 0.624 55.366 54.840 -0.162 0.000 0.851 415 L CB -0.160 41.808 42.059 -0.152 0.000 0.968 415 L HN 0.408 nan 8.230 nan 0.000 0.453 416 R N -1.604 118.701 120.500 -0.324 0.000 2.282 416 R HA 0.099 4.445 4.340 0.009 0.000 0.195 416 R C -0.085 176.151 176.300 -0.106 0.000 0.909 416 R CA -0.036 55.876 56.100 -0.314 0.000 1.039 416 R CB 0.160 30.140 30.300 -0.535 0.000 1.015 416 R HN 0.167 nan 8.270 nan 0.000 0.513 417 Y N 0.064 120.346 120.300 -0.030 0.000 2.512 417 Y HA 0.486 5.036 4.550 -0.000 0.000 0.348 417 Y C -0.319 175.580 175.900 -0.001 0.000 0.990 417 Y CA -1.538 56.556 58.100 -0.009 0.000 1.033 417 Y CB 2.676 41.136 38.460 -0.001 0.000 1.259 417 Y HN 0.012 nan 8.280 nan 0.000 0.461 418 S N 1.836 117.635 115.700 0.165 0.000 3.005 418 S HA -0.058 4.417 4.470 0.009 0.000 0.258 418 S C 0.298 174.939 174.600 0.068 0.000 0.620 418 S CA -0.439 57.819 58.200 0.097 0.000 0.680 418 S CB -0.441 62.803 63.200 0.073 0.000 1.032 418 S HN 0.888 nan 8.310 nan 0.000 0.602 419 K N 2.781 123.215 120.400 0.057 0.000 2.184 419 K HA -0.186 4.139 4.320 0.009 0.000 0.210 419 K C 0.890 177.514 176.600 0.041 0.000 1.048 419 K CA 1.691 58.003 56.287 0.042 0.000 0.931 419 K CB -0.347 32.173 32.500 0.033 0.000 0.718 419 K HN 0.560 nan 8.250 nan 0.000 0.465 420 R N 0.482 121.009 120.500 0.046 0.000 3.534 420 R HA 0.259 4.604 4.340 0.009 0.000 0.312 420 R C 0.634 176.964 176.300 0.049 0.000 1.419 420 R CA 0.145 56.273 56.100 0.047 0.000 1.262 420 R CB 0.769 31.101 30.300 0.053 0.000 1.437 420 R HN 0.347 nan 8.270 nan 0.000 0.627 421 A N -0.267 122.578 122.820 0.042 0.000 2.220 421 A HA 0.150 4.475 4.320 0.009 0.000 0.211 421 A C 1.671 179.271 177.584 0.027 0.000 1.176 421 A CA 0.449 52.506 52.037 0.033 0.000 0.834 421 A CB 0.448 19.462 19.000 0.023 0.000 0.868 421 A HN 0.438 nan 8.150 nan 0.000 0.488 422 G N -1.094 107.722 108.800 0.027 0.000 3.233 422 G HA2 0.222 4.187 3.960 0.009 0.000 0.234 422 G HA3 0.222 4.187 3.960 0.009 0.000 0.234 422 G C 0.479 175.392 174.900 0.021 0.000 1.137 422 G CA 0.623 45.735 45.100 0.021 0.000 0.763 422 G HN 0.357 nan 8.290 nan 0.000 0.549 423 D N 0.488 120.906 120.400 0.030 0.000 3.387 423 D HA 0.222 4.867 4.640 0.009 0.000 0.216 423 D C 0.686 177.010 176.300 0.039 0.000 1.147 423 D CA -0.449 53.569 54.000 0.030 0.000 1.258 423 D CB 0.311 41.133 40.800 0.036 0.000 0.945 423 D HN 0.023 nan 8.370 nan 0.000 0.225 424 I N 1.357 121.966 120.570 0.063 0.000 8.240 424 I HA -0.228 3.947 4.170 0.009 0.000 0.126 424 I C -0.699 175.441 176.117 0.039 0.000 1.791 424 I CA 0.115 61.475 61.300 0.101 0.000 2.143 424 I CB -0.475 37.605 38.000 0.134 0.000 3.682 424 I HN 0.310 nan 8.210 nan 0.000 0.201 425 Q N 7.154 126.941 119.800 -0.021 0.000 2.360 425 Q HA 0.513 4.858 4.340 0.009 0.000 0.254 425 Q C -0.094 175.734 176.000 -0.286 0.000 0.975 425 Q CA -0.731 54.996 55.803 -0.127 0.000 0.912 425 Q CB 1.773 30.423 28.738 -0.147 0.000 1.212 425 Q HN 0.536 nan 8.270 nan 0.000 0.452 426 L N 2.617 123.699 121.223 -0.235 0.000 2.485 426 L HA -0.009 4.336 4.340 0.009 0.000 0.275 426 L C 0.586 177.082 176.870 -0.623 0.000 1.207 426 L CA 0.406 55.041 54.840 -0.342 0.000 0.855 426 L CB 0.167 42.165 42.059 -0.101 0.000 1.114 426 L HN 0.344 nan 8.230 nan 0.000 0.485 427 Q N 3.005 122.181 119.800 -1.040 0.000 2.333 427 Q HA 0.323 4.669 4.340 0.009 0.000 0.267 427 Q C -0.915 174.813 176.000 -0.453 0.000 1.012 427 Q CA -0.632 54.590 55.803 -0.968 0.000 0.824 427 Q CB 1.708 29.555 28.738 -1.486 0.000 1.290 427 Q HN 0.400 nan 8.270 nan 0.000 0.449 428 Y N 0.326 120.466 120.300 -0.267 0.000 2.895 428 Y HA 0.023 4.578 4.550 0.009 0.000 0.334 428 Y C 1.645 177.524 175.900 -0.036 0.000 1.261 428 Y CA 0.950 58.976 58.100 -0.124 0.000 1.560 428 Y CB 0.343 38.738 38.460 -0.108 0.000 1.253 428 Y HN 0.982 nan 8.280 nan 0.000 0.582 429 G N 1.517 110.446 108.800 0.215 0.000 2.259 429 G HA2 -0.244 3.721 3.960 0.009 0.000 0.217 429 G HA3 -0.244 3.721 3.960 0.009 0.000 0.217 429 G C -0.221 174.888 174.900 0.349 0.000 1.001 429 G CA -0.535 44.705 45.100 0.233 0.000 0.627 429 G HN 0.558 nan 8.290 nan 0.000 0.501 430 W N 1.267 122.602 121.300 0.059 0.000 2.030 430 W HA 0.731 5.395 4.660 0.005 0.000 0.360 430 W C 0.759 177.302 176.519 0.040 0.000 1.370 430 W CA -0.447 56.923 57.345 0.042 0.000 1.433 430 W CB 0.351 29.834 29.460 0.038 0.000 1.204 430 W HN 0.020 nan 8.180 nan 0.000 0.649 431 K N 0.585 121.114 120.400 0.215 0.000 2.345 431 K HA 0.514 4.839 4.320 0.009 0.000 0.255 431 K C -1.367 175.308 176.600 0.124 0.000 0.934 431 K CA -0.856 55.507 56.287 0.126 0.000 0.801 431 K CB 2.216 34.741 32.500 0.042 0.000 1.137 431 K HN 0.038 nan 8.250 nan 0.000 0.424 432 V N 3.440 123.427 119.914 0.122 0.000 2.250 432 V HA 0.088 4.214 4.120 0.009 0.000 0.268 432 V C -0.181 175.965 176.094 0.087 0.000 1.043 432 V CA -0.780 61.586 62.300 0.109 0.000 0.814 432 V CB 0.645 32.533 31.823 0.109 0.000 1.072 432 V HN 0.719 nan 8.190 nan 0.000 0.451 433 E N 4.996 125.249 120.200 0.088 0.000 2.481 433 E HA -0.040 4.315 4.350 0.009 0.000 0.240 433 E C 0.423 177.056 176.600 0.054 0.000 1.193 433 E CA 0.122 56.578 56.400 0.093 0.000 0.955 433 E CB 0.240 30.045 29.700 0.176 0.000 1.006 433 E HN 0.707 nan 8.360 nan 0.000 0.483 434 R N 2.256 122.800 120.500 0.072 0.000 2.596 434 R HA 0.364 4.709 4.340 0.009 0.000 0.267 434 R C 0.331 176.659 176.300 0.047 0.000 1.026 434 R CA -0.839 55.260 56.100 -0.003 0.000 1.087 434 R CB 0.755 31.078 30.300 0.038 0.000 1.132 434 R HN 0.327 nan 8.270 nan 0.000 0.531 435 H N 0.446 119.555 119.070 0.065 0.000 2.801 435 H HA 0.082 4.642 4.556 0.006 0.000 0.377 435 H C 0.446 175.842 175.328 0.113 0.000 1.304 435 H CA -0.169 55.934 56.048 0.090 0.000 1.451 435 H CB 0.506 30.296 29.762 0.046 0.000 1.474 435 H HN 0.340 nan 8.280 nan 0.000 0.620 436 I N 2.562 123.319 120.570 0.312 0.000 2.471 436 I HA 0.008 4.183 4.170 0.009 0.000 0.286 436 I C 1.010 177.269 176.117 0.238 0.000 1.079 436 I CA 0.438 61.867 61.300 0.215 0.000 1.398 436 I CB -0.269 37.844 38.000 0.187 0.000 1.403 436 I HN 0.340 nan 8.210 nan 0.000 0.530 437 M N 3.615 123.299 119.600 0.140 0.000 2.823 437 M HA 0.341 4.826 4.480 0.009 0.000 0.282 437 M C -0.157 176.210 176.300 0.112 0.000 1.177 437 M CA -0.999 54.393 55.300 0.154 0.000 0.871 437 M CB 0.821 33.456 32.600 0.058 0.000 1.595 437 M HN 0.315 nan 8.290 nan 0.000 0.524 438 D N 1.129 121.594 120.400 0.108 0.000 2.382 438 D HA 0.091 4.736 4.640 0.009 0.000 0.240 438 D C 0.212 176.528 176.300 0.026 0.000 1.146 438 D CA 0.864 54.901 54.000 0.060 0.000 0.897 438 D CB 0.263 41.097 40.800 0.056 0.000 1.197 438 D HN 0.535 nan 8.370 nan 0.000 0.432 439 N N 0.437 119.146 118.700 0.016 0.000 2.863 439 N HA -0.179 4.566 4.740 0.009 0.000 0.245 439 N C -0.784 174.718 175.510 -0.013 0.000 1.001 439 N CA 0.780 53.831 53.050 0.003 0.000 0.901 439 N CB -0.857 37.630 38.487 -0.000 0.000 1.124 439 N HN 0.450 nan 8.380 nan 0.000 0.582 440 D N 0.519 120.908 120.400 -0.017 0.000 2.368 440 D HA 0.222 4.868 4.640 0.009 0.000 0.240 440 D C -1.992 174.299 176.300 -0.015 0.000 1.169 440 D CA -0.614 53.359 54.000 -0.046 0.000 0.906 440 D CB 0.493 41.266 40.800 -0.046 0.000 1.187 440 D HN 0.152 nan 8.370 nan 0.000 0.435 441 P HA 0.229 nan 4.420 nan 0.000 0.300 441 P C -1.025 176.300 177.300 0.041 0.000 1.326 441 P CA -0.581 62.527 63.100 0.013 0.000 0.844 441 P CB 1.416 33.119 31.700 0.005 0.000 0.992 442 V N 1.362 121.314 119.914 0.062 0.000 2.925 442 V HA 0.473 4.598 4.120 0.009 0.000 0.311 442 V C -0.604 175.569 176.094 0.131 0.000 1.104 442 V CA -1.194 61.162 62.300 0.092 0.000 0.954 442 V CB 2.274 34.139 31.823 0.069 0.000 1.022 442 V HN 0.390 nan 8.190 nan 0.000 0.427 443 L N 3.963 125.286 121.223 0.168 0.000 2.278 443 L HA 0.528 4.873 4.340 0.009 0.000 0.287 443 L C -1.164 175.882 176.870 0.294 0.000 1.072 443 L CA -0.348 54.613 54.840 0.203 0.000 0.819 443 L CB 0.817 42.988 42.059 0.185 0.000 1.176 443 L HN 0.795 nan 8.230 nan 0.000 0.435 444 F N 6.682 126.691 119.950 0.098 0.000 2.444 444 F HA 0.451 4.983 4.527 0.009 0.000 0.342 444 F C -0.183 175.624 175.800 0.012 0.000 1.121 444 F CA -0.959 57.038 58.000 -0.005 0.000 0.997 444 F CB 1.060 40.110 39.000 0.083 0.000 1.130 444 F HN 0.529 nan 8.300 nan 0.000 0.454 445 N N 5.255 123.694 118.700 -0.435 0.000 2.284 445 N HA 0.428 5.173 4.740 0.009 0.000 0.289 445 N C -1.908 173.323 175.510 -0.465 0.000 1.179 445 N CA -0.803 52.056 53.050 -0.319 0.000 0.774 445 N CB 2.713 41.209 38.487 0.015 0.000 1.548 445 N HN 0.798 nan 8.380 nan 0.000 0.473 446 R N 1.120 121.461 120.500 -0.266 0.000 2.637 446 R HA 0.371 4.716 4.340 0.009 0.000 0.291 446 R C -1.008 175.256 176.300 -0.060 0.000 0.963 446 R CA -0.409 55.569 56.100 -0.202 0.000 0.901 446 R CB 1.583 31.776 30.300 -0.179 0.000 1.160 446 R HN 0.614 nan 8.270 nan 0.000 0.457 447 Q N 3.518 123.285 119.800 -0.055 0.000 2.257 447 Q HA 0.437 4.783 4.340 0.009 0.000 0.262 447 Q C -2.132 173.848 176.000 -0.032 0.000 0.997 447 Q CA -2.099 53.687 55.803 -0.028 0.000 0.873 447 Q CB 1.868 30.595 28.738 -0.017 0.000 1.312 447 Q HN 0.539 nan 8.270 nan 0.000 0.450 448 P HA 0.059 nan 4.420 nan 0.000 0.275 448 P C -0.959 176.321 177.300 -0.033 0.000 1.227 448 P CA -0.293 62.788 63.100 -0.031 0.000 0.781 448 P CB 0.868 32.545 31.700 -0.039 0.000 0.906 449 S N 2.726 118.414 115.700 -0.020 0.000 3.729 449 S HA 0.193 4.668 4.470 0.009 0.000 0.235 449 S C 0.631 175.215 174.600 -0.028 0.000 1.367 449 S CA -0.554 57.641 58.200 -0.008 0.000 0.907 449 S CB -0.842 62.364 63.200 0.011 0.000 1.471 449 S HN 0.341 nan 8.310 nan 0.000 0.476 450 L N 0.252 121.427 121.223 -0.079 0.000 3.064 450 L HA 0.610 4.955 4.340 0.009 0.000 0.233 450 L C 0.069 176.868 176.870 -0.118 0.000 1.333 450 L CA -0.050 54.719 54.840 -0.118 0.000 1.140 450 L CB -1.228 40.724 42.059 -0.178 0.000 1.519 450 L HN 0.516 nan 8.230 nan 0.000 0.493 451 H N -1.517 117.508 119.070 -0.076 0.000 2.863 451 H HA 0.313 4.874 4.556 0.009 0.000 0.274 451 H C -0.105 175.169 175.328 -0.090 0.000 1.457 451 H CA -0.846 55.143 56.048 -0.098 0.000 1.151 451 H CB 1.640 31.333 29.762 -0.116 0.000 1.844 451 H HN -0.029 nan 8.280 nan 0.000 0.562 452 K N 0.162 120.552 120.400 -0.016 0.000 2.168 452 K HA 0.057 4.382 4.320 0.009 0.000 0.201 452 K C 1.525 178.067 176.600 -0.097 0.000 1.049 452 K CA 0.842 57.088 56.287 -0.069 0.000 0.974 452 K CB 0.177 32.606 32.500 -0.118 0.000 0.792 452 K HN 0.266 nan 8.250 nan 0.000 0.463 453 M N 1.421 120.903 119.600 -0.197 0.000 2.521 453 M HA -0.118 4.368 4.480 0.009 0.000 0.260 453 M C 1.638 177.756 176.300 -0.303 0.000 1.068 453 M CA 1.355 56.474 55.300 -0.302 0.000 1.060 453 M CB -0.324 32.036 32.600 -0.400 0.000 1.398 453 M HN -0.051 nan 8.290 nan 0.000 0.473 454 S N -0.749 114.928 115.700 -0.038 0.000 2.489 454 S HA 0.190 4.666 4.470 0.009 0.000 0.228 454 S C 0.726 175.472 174.600 0.244 0.000 0.995 454 S CA 0.646 58.910 58.200 0.106 0.000 0.934 454 S CB -0.023 63.235 63.200 0.098 0.000 0.771 454 S HN 0.420 nan 8.310 nan 0.000 0.522 455 M N 1.751 121.430 119.600 0.131 0.000 2.093 455 M HA 0.491 4.977 4.480 0.009 0.000 0.297 455 M C -1.243 175.122 176.300 0.109 0.000 0.938 455 M CA 0.216 55.614 55.300 0.163 0.000 0.920 455 M CB 1.712 34.358 32.600 0.076 0.000 1.517 455 M HN 0.077 nan 8.290 nan 0.000 0.427 456 M N 1.761 121.475 119.600 0.190 0.000 2.531 456 M HA 0.716 5.201 4.480 0.009 0.000 0.286 456 M C -0.630 175.627 176.300 -0.072 0.000 1.232 456 M CA -0.898 54.402 55.300 -0.000 0.000 0.877 456 M CB 2.447 34.981 32.600 -0.110 0.000 1.726 456 M HN 0.665 nan 8.290 nan 0.000 0.463 457 A N 1.448 124.180 122.820 -0.147 0.000 2.328 457 A HA 0.626 4.951 4.320 0.009 0.000 0.284 457 A C -0.948 176.490 177.584 -0.244 0.000 1.160 457 A CA -0.262 51.713 52.037 -0.103 0.000 0.818 457 A CB 0.152 19.126 19.000 -0.044 0.000 1.087 457 A HN 0.809 nan 8.150 nan 0.000 0.504 458 H N 1.394 120.494 119.070 0.050 0.000 2.747 458 H HA 0.358 4.919 4.556 0.009 0.000 0.371 458 H C -0.457 174.858 175.328 -0.021 0.000 1.161 458 H CA -0.632 55.421 56.048 0.008 0.000 1.167 458 H CB 1.515 31.252 29.762 -0.042 0.000 1.732 458 H HN 0.712 nan 8.280 nan 0.000 0.544 459 R N 1.058 121.627 120.500 0.115 0.000 2.347 459 R HA 0.241 4.586 4.340 0.009 0.000 0.304 459 R C -0.107 176.208 176.300 0.024 0.000 1.072 459 R CA -0.488 55.641 56.100 0.050 0.000 0.980 459 R CB 0.711 31.034 30.300 0.038 0.000 0.986 459 R HN 0.212 nan 8.270 nan 0.000 0.448 460 V N 3.616 123.535 119.914 0.010 0.000 2.963 460 V HA 0.058 4.183 4.120 0.009 0.000 0.306 460 V C 0.537 176.628 176.094 -0.005 0.000 1.077 460 V CA 0.348 62.644 62.300 -0.007 0.000 1.124 460 V CB 0.877 32.709 31.823 0.015 0.000 0.987 460 V HN 0.577 nan 8.190 nan 0.000 0.487 461 K N 3.340 123.727 120.400 -0.021 0.000 2.761 461 K HA 0.300 4.625 4.320 0.009 0.000 0.257 461 K C -1.317 175.260 176.600 -0.039 0.000 1.053 461 K CA -0.393 55.883 56.287 -0.018 0.000 1.035 461 K CB 1.557 34.043 32.500 -0.023 0.000 1.267 461 K HN 0.431 nan 8.250 nan 0.000 0.505 462 V N 6.086 125.967 119.914 -0.055 0.000 2.572 462 V HA 0.306 4.431 4.120 0.009 0.000 0.291 462 V C 0.826 176.844 176.094 -0.128 0.000 1.039 462 V CA -0.088 62.123 62.300 -0.149 0.000 1.055 462 V CB 0.077 31.685 31.823 -0.358 0.000 0.969 462 V HN 0.612 nan 8.190 nan 0.000 0.482 463 I N 3.228 123.726 120.570 -0.120 0.000 3.102 463 I HA 0.721 4.896 4.170 0.009 0.000 0.310 463 I C -2.714 173.347 176.117 -0.093 0.000 1.246 463 I CA -2.559 58.695 61.300 -0.076 0.000 0.979 463 I CB 2.463 40.452 38.000 -0.019 0.000 1.267 463 I HN 0.368 nan 8.210 nan 0.000 0.451 464 P HA 0.146 nan 4.420 nan 0.000 0.274 464 P C -0.981 176.256 177.300 -0.105 0.000 1.264 464 P CA 0.514 63.471 63.100 -0.239 0.000 0.795 464 P CB 0.183 31.623 31.700 -0.433 0.000 1.064 465 Y N -2.972 117.279 120.300 -0.082 0.000 2.501 465 Y HA -0.226 4.331 4.550 0.012 0.000 0.097 465 Y C 0.998 176.832 175.900 -0.111 0.000 1.696 465 Y CA 0.940 58.989 58.100 -0.085 0.000 1.423 465 Y CB -1.925 36.489 38.460 -0.076 0.000 2.068 465 Y HN 0.428 nan 8.280 nan 0.000 0.253 466 S N -1.214 114.516 115.700 0.049 0.000 2.449 466 S HA 0.506 4.981 4.470 0.009 0.000 0.237 466 S C -0.391 174.128 174.600 -0.135 0.000 1.214 466 S CA -0.005 58.151 58.200 -0.074 0.000 1.226 466 S CB 0.046 63.194 63.200 -0.087 0.000 0.904 466 S HN 0.867 nan 8.310 nan 0.000 0.490 467 T N -1.421 113.061 114.554 -0.120 0.000 2.876 467 T HA 0.674 5.029 4.350 0.009 0.000 0.289 467 T C -0.433 174.192 174.700 -0.126 0.000 1.014 467 T CA -0.826 61.193 62.100 -0.135 0.000 0.986 467 T CB 0.623 69.461 68.868 -0.050 0.000 1.021 467 T HN 0.215 nan 8.240 nan 0.000 0.458 468 F N 1.732 121.680 119.950 -0.004 0.000 2.529 468 F HA 0.335 4.868 4.527 0.009 0.000 0.365 468 F C 1.615 177.376 175.800 -0.065 0.000 1.102 468 F CA -0.534 57.426 58.000 -0.066 0.000 1.271 468 F CB 0.745 39.740 39.000 -0.008 0.000 1.120 468 F HN 0.246 nan 8.300 nan 0.000 0.579 469 R N 4.707 125.250 120.500 0.072 0.000 2.343 469 R HA 0.554 4.899 4.340 0.009 0.000 0.320 469 R C -1.374 174.896 176.300 -0.049 0.000 0.956 469 R CA -0.989 55.105 56.100 -0.011 0.000 0.836 469 R CB 1.544 31.817 30.300 -0.044 0.000 1.151 469 R HN 0.489 nan 8.270 nan 0.000 0.450 470 L N -0.063 121.171 121.223 0.018 0.000 2.388 470 L HA 0.527 4.873 4.340 0.009 0.000 0.264 470 L C -0.120 176.800 176.870 0.083 0.000 0.998 470 L CA -1.044 53.808 54.840 0.021 0.000 0.817 470 L CB 1.103 43.230 42.059 0.115 0.000 1.338 470 L HN 0.336 nan 8.230 nan 0.000 0.414 471 N N 1.217 119.949 118.700 0.054 0.000 2.454 471 N HA 0.101 4.846 4.740 0.009 0.000 0.254 471 N C 0.779 176.373 175.510 0.140 0.000 1.228 471 N CA 0.199 53.294 53.050 0.075 0.000 0.900 471 N CB 0.979 39.495 38.487 0.049 0.000 1.089 471 N HN 0.885 nan 8.380 nan 0.000 0.449 472 L N 2.015 123.325 121.223 0.145 0.000 2.083 472 L HA -0.130 4.216 4.340 0.009 0.000 0.209 472 L C 1.942 178.883 176.870 0.118 0.000 1.083 472 L CA 0.995 55.947 54.840 0.186 0.000 0.752 472 L CB -0.273 41.886 42.059 0.166 0.000 0.899 472 L HN 0.501 nan 8.230 nan 0.000 0.433 473 S N -1.166 114.573 115.700 0.064 0.000 2.803 473 S HA -0.004 4.472 4.470 0.009 0.000 0.226 473 S C 1.307 175.849 174.600 -0.097 0.000 0.962 473 S CA 0.158 58.346 58.200 -0.020 0.000 0.968 473 S CB 0.222 63.386 63.200 -0.060 0.000 0.786 473 S HN 0.165 nan 8.310 nan 0.000 0.527 474 V N 0.304 120.234 119.914 0.027 0.000 3.528 474 V HA 0.028 4.153 4.120 0.009 0.000 0.294 474 V C 1.965 178.177 176.094 0.197 0.000 1.404 474 V CA 0.673 63.038 62.300 0.110 0.000 1.065 474 V CB 0.131 32.126 31.823 0.286 0.000 0.904 474 V HN 0.405 nan 8.190 nan 0.000 0.435 475 T N 1.074 115.701 114.554 0.123 0.000 2.595 475 T HA -0.208 4.147 4.350 0.009 0.000 0.264 475 T C 2.139 176.865 174.700 0.043 0.000 1.058 475 T CA 2.483 64.626 62.100 0.071 0.000 1.166 475 T CB -0.213 68.654 68.868 -0.002 0.000 0.863 475 T HN 0.735 nan 8.240 nan 0.000 0.415 476 S N 1.890 117.590 115.700 -0.000 0.000 2.370 476 S HA -0.085 4.390 4.470 0.009 0.000 0.226 476 S C -0.583 173.996 174.600 -0.034 0.000 1.033 476 S CA 1.227 59.416 58.200 -0.018 0.000 1.011 476 S CB -1.866 61.323 63.200 -0.019 0.000 0.852 476 S HN 0.402 nan 8.310 nan 0.000 0.457 477 P HA -0.078 nan 4.420 nan 0.000 0.216 477 P C 0.780 177.977 177.300 -0.171 0.000 1.150 477 P CA 1.184 64.164 63.100 -0.200 0.000 0.837 477 P CB -0.210 31.240 31.700 -0.417 0.000 0.786 478 Y N -2.688 117.607 120.300 -0.009 0.000 2.511 478 Y HA 0.122 4.678 4.550 0.009 0.000 0.279 478 Y C 0.807 176.665 175.900 -0.071 0.000 1.157 478 Y CA -0.115 57.957 58.100 -0.046 0.000 1.300 478 Y CB -0.511 37.898 38.460 -0.087 0.000 1.052 478 Y HN -0.101 nan 8.280 nan 0.000 0.529 479 N N 0.638 119.373 118.700 0.058 0.000 2.708 479 N HA -0.181 4.565 4.740 0.009 0.000 0.255 479 N C -0.808 174.679 175.510 -0.039 0.000 1.046 479 N CA 0.602 53.646 53.050 -0.010 0.000 0.715 479 N CB -0.969 37.497 38.487 -0.035 0.000 0.895 479 N HN 0.425 nan 8.380 nan 0.000 0.545 480 A N 0.683 123.463 122.820 -0.067 0.000 2.309 480 A HA 0.804 5.129 4.320 0.009 0.000 0.317 480 A C -0.197 177.203 177.584 -0.306 0.000 1.134 480 A CA 0.215 52.151 52.037 -0.169 0.000 0.866 480 A CB 1.216 20.104 19.000 -0.187 0.000 1.329 480 A HN 0.625 nan 8.150 nan 0.000 0.477 481 D N -2.526 117.620 120.400 -0.422 0.000 2.622 481 D HA 0.416 5.061 4.640 0.009 0.000 0.255 481 D C -1.149 174.826 176.300 -0.540 0.000 1.246 481 D CA -0.462 53.226 54.000 -0.521 0.000 0.795 481 D CB 0.186 40.858 40.800 -0.212 0.000 1.369 481 D HN 0.206 nan 8.370 nan 0.000 0.425 482 F N 0.215 120.174 119.950 0.014 0.000 2.916 482 F HA 0.198 4.730 4.527 0.009 0.000 0.294 482 F C 0.902 176.703 175.800 0.002 0.000 1.189 482 F CA -0.692 57.314 58.000 0.010 0.000 1.369 482 F CB 0.187 39.193 39.000 0.009 0.000 0.961 482 F HN 0.306 nan 8.300 nan 0.000 0.508 483 D N -0.852 119.601 120.400 0.088 0.000 2.328 483 D HA 0.183 4.828 4.640 0.009 0.000 0.226 483 D C 1.690 178.019 176.300 0.049 0.000 1.066 483 D CA 0.658 54.694 54.000 0.059 0.000 0.861 483 D CB 0.387 41.200 40.800 0.022 0.000 0.912 483 D HN 0.413 nan 8.370 nan 0.000 0.521 484 G N -0.191 108.648 108.800 0.065 0.000 2.902 484 G HA2 -0.172 3.794 3.960 0.009 0.000 0.215 484 G HA3 -0.172 3.794 3.960 0.009 0.000 0.215 484 G C -0.458 174.468 174.900 0.044 0.000 0.976 484 G CA -0.418 44.712 45.100 0.050 0.000 0.794 484 G HN 0.218 nan 8.290 nan 0.000 0.557 485 D N 1.637 122.057 120.400 0.033 0.000 2.548 485 D HA 0.309 4.955 4.640 0.009 0.000 0.231 485 D C 0.602 176.931 176.300 0.048 0.000 1.142 485 D CA 0.905 54.914 54.000 0.015 0.000 0.866 485 D CB 0.792 41.577 40.800 -0.026 0.000 1.190 485 D HN 0.529 nan 8.370 nan 0.000 0.469 486 E N 0.724 120.944 120.200 0.034 0.000 2.235 486 E HA 0.567 4.922 4.350 0.009 0.000 0.265 486 E C -0.215 176.411 176.600 0.044 0.000 0.940 486 E CA -0.729 55.711 56.400 0.067 0.000 0.819 486 E CB 1.859 31.591 29.700 0.053 0.000 1.206 486 E HN 0.279 nan 8.360 nan 0.000 0.409 487 M N 1.562 121.233 119.600 0.119 0.000 2.501 487 M HA 0.364 4.849 4.480 0.009 0.000 0.293 487 M C -1.107 175.220 176.300 0.045 0.000 1.192 487 M CA -0.990 54.281 55.300 -0.048 0.000 0.886 487 M CB 2.108 34.525 32.600 -0.305 0.000 1.710 487 M HN 0.335 nan 8.290 nan 0.000 0.457 488 N N 2.164 120.777 118.700 -0.145 0.000 2.473 488 N HA 0.655 5.400 4.740 0.009 0.000 0.291 488 N C -1.510 173.897 175.510 -0.172 0.000 1.083 488 N CA -0.436 52.555 53.050 -0.099 0.000 0.951 488 N CB 1.906 40.335 38.487 -0.097 0.000 1.164 488 N HN 0.496 nan 8.380 nan 0.000 0.480 489 L N 2.200 123.321 121.223 -0.171 0.000 2.365 489 L HA 0.485 4.831 4.340 0.009 0.000 0.273 489 L C -1.124 175.573 176.870 -0.288 0.000 1.000 489 L CA -0.459 54.309 54.840 -0.119 0.000 0.819 489 L CB 1.341 43.304 42.059 -0.160 0.000 1.284 489 L HN 0.507 nan 8.230 nan 0.000 0.418 490 H N 3.839 122.985 119.070 0.126 0.000 2.600 490 H HA 0.570 5.131 4.556 0.009 0.000 0.357 490 H C -1.212 174.197 175.328 0.134 0.000 1.106 490 H CA -0.702 55.428 56.048 0.138 0.000 1.193 490 H CB 2.276 32.104 29.762 0.111 0.000 1.594 490 H HN 0.427 nan 8.280 nan 0.000 0.526 491 V N 4.839 124.912 119.914 0.264 0.000 2.398 491 V HA 0.205 4.330 4.120 0.009 0.000 0.286 491 V C -1.947 174.219 176.094 0.119 0.000 1.026 491 V CA -1.782 60.626 62.300 0.179 0.000 0.868 491 V CB 1.503 33.422 31.823 0.160 0.000 0.982 491 V HN 0.613 nan 8.190 nan 0.000 0.443 492 P HA 0.086 nan 4.420 nan 0.000 0.266 492 P C -0.492 176.835 177.300 0.045 0.000 1.195 492 P CA 0.106 63.264 63.100 0.096 0.000 0.768 492 P CB 1.473 33.250 31.700 0.128 0.000 0.838 493 Q N 0.558 120.307 119.800 -0.084 0.000 2.353 493 Q HA 0.169 4.514 4.340 0.009 0.000 0.240 493 Q C 0.136 175.951 176.000 -0.308 0.000 0.868 493 Q CA 0.698 56.304 55.803 -0.327 0.000 0.944 493 Q CB 0.435 28.961 28.738 -0.355 0.000 1.104 493 Q HN 0.416 nan 8.270 nan 0.000 0.531 494 S N 0.044 115.690 115.700 -0.091 0.000 2.537 494 S HA 0.176 4.651 4.470 0.009 0.000 0.301 494 S C 0.521 175.168 174.600 0.079 0.000 1.092 494 S CA -0.567 57.610 58.200 -0.039 0.000 1.048 494 S CB 1.678 64.865 63.200 -0.022 0.000 1.053 494 S HN 0.110 nan 8.310 nan 0.000 0.501 495 E N 2.088 122.350 120.200 0.102 0.000 2.171 495 E HA -0.210 4.145 4.350 0.009 0.000 0.197 495 E C 1.299 177.952 176.600 0.089 0.000 0.997 495 E CA 1.829 58.312 56.400 0.138 0.000 0.810 495 E CB -0.036 29.730 29.700 0.110 0.000 0.738 495 E HN 0.752 nan 8.360 nan 0.000 0.467 496 E N -0.842 119.395 120.200 0.062 0.000 2.006 496 E HA -0.126 4.229 4.350 0.009 0.000 0.192 496 E C 2.143 178.773 176.600 0.051 0.000 0.993 496 E CA 1.599 58.030 56.400 0.050 0.000 0.808 496 E CB -0.424 29.299 29.700 0.037 0.000 0.764 496 E HN 0.185 nan 8.360 nan 0.000 0.449 497 T N 1.682 116.263 114.554 0.045 0.000 2.635 497 T HA -0.301 4.054 4.350 0.009 0.000 0.265 497 T C 1.797 176.532 174.700 0.057 0.000 1.058 497 T CA 2.128 64.254 62.100 0.043 0.000 1.162 497 T CB -0.440 68.451 68.868 0.039 0.000 0.859 497 T HN 0.187 nan 8.240 nan 0.000 0.449 498 R N 1.209 121.758 120.500 0.083 0.000 2.094 498 R HA -0.054 4.291 4.340 0.009 0.000 0.239 498 R C 2.926 179.252 176.300 0.043 0.000 1.137 498 R CA 1.476 57.618 56.100 0.071 0.000 0.943 498 R CB -0.800 29.544 30.300 0.074 0.000 0.850 498 R HN 0.440 nan 8.270 nan 0.000 0.433 499 A N 1.354 124.200 122.820 0.043 0.000 1.917 499 A HA -0.267 4.058 4.320 0.009 0.000 0.219 499 A C 2.052 179.654 177.584 0.030 0.000 1.182 499 A CA 1.798 53.855 52.037 0.034 0.000 0.633 499 A CB -0.537 18.488 19.000 0.040 0.000 0.819 499 A HN 0.441 nan 8.150 nan 0.000 0.448 500 E N -0.650 119.570 120.200 0.035 0.000 2.204 500 E HA -0.115 4.241 4.350 0.009 0.000 0.195 500 E C 1.850 178.460 176.600 0.016 0.000 0.990 500 E CA 0.814 57.231 56.400 0.029 0.000 0.821 500 E CB -0.114 29.603 29.700 0.028 0.000 0.750 500 E HN 0.682 nan 8.360 nan 0.000 0.477 501 L N -0.111 121.123 121.223 0.018 0.000 2.102 501 L HA -0.060 4.285 4.340 0.009 0.000 0.202 501 L C 2.503 179.372 176.870 -0.002 0.000 1.076 501 L CA 1.084 55.930 54.840 0.010 0.000 0.761 501 L CB -0.346 41.727 42.059 0.025 0.000 0.921 501 L HN 0.158 nan 8.230 nan 0.000 0.444 502 S N -1.333 114.369 115.700 0.004 0.000 2.515 502 S HA -0.124 4.351 4.470 0.009 0.000 0.231 502 S C 1.686 176.283 174.600 -0.005 0.000 0.987 502 S CA 0.578 58.776 58.200 -0.003 0.000 0.936 502 S CB 0.082 63.282 63.200 -0.000 0.000 0.766 502 S HN 0.295 nan 8.310 nan 0.000 0.528 503 Q N -0.778 119.021 119.800 -0.001 0.000 2.316 503 Q HA 0.489 4.834 4.340 0.009 0.000 0.235 503 Q C 1.096 177.090 176.000 -0.011 0.000 0.863 503 Q CA 0.247 56.049 55.803 -0.001 0.000 0.939 503 Q CB 0.399 29.144 28.738 0.011 0.000 1.108 503 Q HN 0.409 nan 8.270 nan 0.000 0.522 504 L N -2.227 118.986 121.223 -0.016 0.000 2.663 504 L HA 0.145 4.490 4.340 0.009 0.000 0.218 504 L C 0.925 177.768 176.870 -0.046 0.000 1.043 504 L CA 0.764 55.586 54.840 -0.029 0.000 0.876 504 L CB 0.089 42.138 42.059 -0.017 0.000 1.263 504 L HN 0.082 nan 8.230 nan 0.000 0.486 505 C N 0.590 119.866 119.300 -0.041 0.000 2.780 505 C HA 0.654 5.119 4.460 0.009 0.000 0.287 505 C C 1.236 176.179 174.990 -0.078 0.000 1.288 505 C CA -1.128 57.856 59.018 -0.056 0.000 1.713 505 C CB -1.487 26.231 27.740 -0.037 0.000 1.955 505 C HN 0.316 nan 8.230 nan 0.000 0.613 506 A N 0.953 123.730 122.820 -0.072 0.000 2.462 506 A HA 0.386 4.711 4.320 0.009 0.000 0.243 506 A C 1.373 178.887 177.584 -0.117 0.000 1.076 506 A CA 0.096 52.080 52.037 -0.087 0.000 0.773 506 A CB 0.372 19.341 19.000 -0.052 0.000 1.010 506 A HN 0.257 nan 8.150 nan 0.000 0.493 507 V N 3.633 123.450 119.914 -0.161 0.000 2.380 507 V HA -0.193 3.933 4.120 0.009 0.000 0.251 507 V C -0.411 175.618 176.094 -0.110 0.000 1.063 507 V CA 2.675 64.879 62.300 -0.159 0.000 1.055 507 V CB -1.649 30.095 31.823 -0.133 0.000 0.657 507 V HN 0.789 nan 8.190 nan 0.000 0.455 508 P HA -0.166 nan 4.420 nan 0.000 0.213 508 P C 1.905 179.173 177.300 -0.052 0.000 1.170 508 P CA 1.472 64.549 63.100 -0.038 0.000 0.902 508 P CB -0.163 31.531 31.700 -0.011 0.000 0.789 509 L N -1.024 120.164 121.223 -0.058 0.000 2.351 509 L HA -0.208 4.137 4.340 0.009 0.000 0.220 509 L C 1.957 178.766 176.870 -0.101 0.000 1.127 509 L CA 1.256 56.055 54.840 -0.068 0.000 0.786 509 L CB -0.857 41.163 42.059 -0.066 0.000 0.914 509 L HN 0.104 nan 8.230 nan 0.000 0.443 510 Q N -0.621 119.107 119.800 -0.121 0.000 2.282 510 Q HA 0.181 4.526 4.340 0.009 0.000 0.206 510 Q C 2.118 178.021 176.000 -0.162 0.000 0.878 510 Q CA 0.197 55.907 55.803 -0.155 0.000 0.944 510 Q CB 0.644 29.272 28.738 -0.183 0.000 1.100 510 Q HN 0.597 nan 8.270 nan 0.000 0.509 511 I N 0.028 120.521 120.570 -0.128 0.000 2.163 511 I HA -0.157 4.018 4.170 0.009 0.000 0.243 511 I C 0.854 176.891 176.117 -0.133 0.000 1.085 511 I CA 0.985 62.219 61.300 -0.110 0.000 1.347 511 I CB 0.058 38.048 38.000 -0.016 0.000 1.044 511 I HN -0.136 nan 8.210 nan 0.000 0.408 512 V N 2.777 122.593 119.914 -0.163 0.000 2.320 512 V HA 0.095 4.220 4.120 0.009 0.000 0.265 512 V C 0.426 176.395 176.094 -0.209 0.000 1.048 512 V CA -0.383 61.776 62.300 -0.236 0.000 0.865 512 V CB 0.763 32.414 31.823 -0.285 0.000 1.043 512 V HN 0.360 nan 8.190 nan 0.000 0.474 513 S N 7.393 122.978 115.700 -0.191 0.000 2.562 513 S HA 0.410 4.885 4.470 0.009 0.000 0.275 513 S C -1.127 173.405 174.600 -0.113 0.000 1.281 513 S CA -1.128 56.968 58.200 -0.174 0.000 1.045 513 S CB 1.584 64.657 63.200 -0.210 0.000 0.962 513 S HN 0.557 nan 8.310 nan 0.000 0.503 514 P HA -0.154 nan 4.420 nan 0.000 0.225 514 P C 1.420 178.822 177.300 0.171 0.000 1.156 514 P CA 0.959 64.084 63.100 0.042 0.000 0.787 514 P CB 0.056 31.794 31.700 0.064 0.000 0.802 515 Q N 1.562 121.369 119.800 0.012 0.000 2.020 515 Q HA -0.114 4.231 4.340 0.009 0.000 0.202 515 Q C 1.883 177.852 176.000 -0.052 0.000 0.982 515 Q CA 2.484 58.208 55.803 -0.131 0.000 0.838 515 Q CB -1.127 27.427 28.738 -0.305 0.000 0.899 515 Q HN 0.218 nan 8.270 nan 0.000 0.423 516 S N 0.564 116.243 115.700 -0.035 0.000 2.605 516 S HA 0.070 4.545 4.470 0.009 0.000 0.217 516 S C 0.405 175.126 174.600 0.201 0.000 0.958 516 S CA 0.157 58.381 58.200 0.039 0.000 0.919 516 S CB -0.479 62.752 63.200 0.052 0.000 0.780 516 S HN 0.761 nan 8.310 nan 0.000 0.507 517 N N 1.470 120.258 118.700 0.146 0.000 2.650 517 N HA -0.323 4.422 4.740 0.009 0.000 0.249 517 N C -0.270 175.328 175.510 0.146 0.000 1.155 517 N CA 2.015 55.159 53.050 0.158 0.000 0.747 517 N CB -2.016 36.618 38.487 0.245 0.000 1.132 517 N HN 0.899 nan 8.380 nan 0.000 0.564 518 K N -2.058 118.379 120.400 0.063 0.000 2.279 518 K HA 0.661 4.986 4.320 0.009 0.000 0.238 518 K C -3.041 173.432 176.600 -0.211 0.000 1.084 518 K CA -2.026 54.244 56.287 -0.029 0.000 0.885 518 K CB 2.099 34.660 32.500 0.102 0.000 1.319 518 K HN -0.069 nan 8.250 nan 0.000 0.494 519 P HA 0.065 nan 4.420 nan 0.000 0.274 519 P C 0.333 177.572 177.300 -0.102 0.000 1.246 519 P CA -0.474 62.509 63.100 -0.195 0.000 0.795 519 P CB 0.739 32.361 31.700 -0.131 0.000 1.006 520 C N 0.304 119.541 119.300 -0.106 0.000 2.976 520 C HA 0.596 5.061 4.460 0.009 0.000 0.274 520 C C 0.038 174.976 174.990 -0.087 0.000 1.487 520 C CA -0.534 58.423 59.018 -0.102 0.000 1.789 520 C CB -1.389 26.250 27.740 -0.167 0.000 2.771 520 C HN 0.357 nan 8.230 nan 0.000 0.551 521 M N 1.418 120.993 119.600 -0.043 0.000 2.206 521 M HA 0.503 4.988 4.480 0.009 0.000 0.272 521 M C 0.277 176.662 176.300 0.141 0.000 1.012 521 M CA 0.146 55.425 55.300 -0.036 0.000 0.986 521 M CB 1.959 34.434 32.600 -0.208 0.000 1.740 521 M HN 0.417 nan 8.290 nan 0.000 0.472 522 G N 3.195 112.084 108.800 0.149 0.000 3.099 522 G HA2 0.869 4.834 3.960 0.009 0.000 0.151 522 G HA3 0.869 4.834 3.960 0.009 0.000 0.151 522 G C -0.784 174.292 174.900 0.293 0.000 1.265 522 G CA -0.507 44.727 45.100 0.223 0.000 0.981 522 G HN 0.589 nan 8.290 nan 0.000 0.601 523 I N 0.723 121.386 120.570 0.155 0.000 2.478 523 I HA 0.388 4.563 4.170 0.009 0.000 0.287 523 I C -0.523 175.634 176.117 0.066 0.000 1.042 523 I CA -0.595 60.779 61.300 0.124 0.000 1.067 523 I CB 2.044 40.077 38.000 0.055 0.000 1.233 523 I HN 0.152 nan 8.210 nan 0.000 0.431 524 V N 4.314 124.269 119.914 0.069 0.000 3.182 524 V HA 0.555 4.680 4.120 0.009 0.000 0.311 524 V C 0.437 176.555 176.094 0.039 0.000 1.221 524 V CA -0.618 61.710 62.300 0.047 0.000 1.060 524 V CB 1.263 33.117 31.823 0.052 0.000 1.164 524 V HN 0.861 nan 8.190 nan 0.000 0.466 525 Q N -0.022 119.800 119.800 0.037 0.000 2.174 525 Q HA -0.348 3.997 4.340 0.009 0.000 0.427 525 Q C 1.248 177.258 176.000 0.016 0.000 0.692 525 Q CA 2.292 58.119 55.803 0.040 0.000 0.909 525 Q CB -1.555 27.223 28.738 0.066 0.000 3.026 525 Q HN 0.957 nan 8.270 nan 0.000 0.891 526 D N 0.380 120.796 120.400 0.026 0.000 2.087 526 D HA -0.098 4.548 4.640 0.009 0.000 0.192 526 D C 2.013 178.303 176.300 -0.017 0.000 0.993 526 D CA 2.303 56.307 54.000 0.006 0.000 0.828 526 D CB -0.736 40.074 40.800 0.016 0.000 0.968 526 D HN 0.556 nan 8.370 nan 0.000 0.448 527 T N 1.063 115.614 114.554 -0.004 0.000 2.737 527 T HA -0.182 4.174 4.350 0.009 0.000 0.269 527 T C 1.831 176.509 174.700 -0.037 0.000 1.040 527 T CA 0.899 62.990 62.100 -0.015 0.000 1.142 527 T CB -0.314 68.556 68.868 0.004 0.000 0.861 527 T HN 0.027 nan 8.240 nan 0.000 0.456 528 L N 0.780 121.984 121.223 -0.032 0.000 2.034 528 L HA 0.120 4.465 4.340 0.009 0.000 0.203 528 L C 2.731 179.547 176.870 -0.091 0.000 1.074 528 L CA 1.394 56.203 54.840 -0.051 0.000 0.748 528 L CB -1.363 40.679 42.059 -0.027 0.000 0.905 528 L HN 0.409 nan 8.230 nan 0.000 0.439 529 C N 0.243 119.478 119.300 -0.108 0.000 2.391 529 C HA -0.145 4.321 4.460 0.009 0.000 0.276 529 C C 2.717 177.568 174.990 -0.233 0.000 1.217 529 C CA 1.131 60.025 59.018 -0.205 0.000 1.766 529 C CB -1.684 25.885 27.740 -0.286 0.000 2.046 529 C HN 0.714 nan 8.230 nan 0.000 0.475 530 G N -0.150 108.561 108.800 -0.149 0.000 2.454 530 G HA2 -0.119 3.846 3.960 0.009 0.000 0.214 530 G HA3 -0.119 3.846 3.960 0.009 0.000 0.214 530 G C 1.580 176.386 174.900 -0.157 0.000 1.217 530 G CA 0.727 45.778 45.100 -0.082 0.000 0.799 530 G HN 0.606 nan 8.290 nan 0.000 0.538 531 I N 0.716 121.198 120.570 -0.148 0.000 2.231 531 I HA -0.367 3.808 4.170 0.009 0.000 0.251 531 I C 2.812 178.790 176.117 -0.232 0.000 1.076 531 I CA 2.191 63.374 61.300 -0.195 0.000 1.347 531 I CB -0.054 37.861 38.000 -0.141 0.000 1.038 531 I HN 0.261 nan 8.210 nan 0.000 0.429 532 R N 0.972 121.358 120.500 -0.189 0.000 2.070 532 R HA -0.215 4.130 4.340 0.009 0.000 0.232 532 R C 2.307 178.481 176.300 -0.209 0.000 1.138 532 R CA 1.957 57.953 56.100 -0.174 0.000 0.936 532 R CB -0.216 30.002 30.300 -0.135 0.000 0.839 532 R HN 0.357 nan 8.270 nan 0.000 0.429 533 K N 0.699 120.971 120.400 -0.213 0.000 1.987 533 K HA -0.209 4.116 4.320 0.009 0.000 0.216 533 K C 2.112 178.456 176.600 -0.426 0.000 1.051 533 K CA 1.645 57.813 56.287 -0.199 0.000 0.942 533 K CB -0.761 31.714 32.500 -0.042 0.000 0.722 533 K HN 0.174 nan 8.250 nan 0.000 0.444 534 L N 1.773 122.493 121.223 -0.838 0.000 2.369 534 L HA -0.218 4.127 4.340 0.009 0.000 0.220 534 L C 1.797 178.286 176.870 -0.635 0.000 1.119 534 L CA 1.877 55.983 54.840 -1.224 0.000 0.780 534 L CB -0.558 40.761 42.059 -1.233 0.000 0.906 534 L HN 0.185 nan 8.230 nan 0.000 0.442 535 T N -0.803 113.503 114.554 -0.413 0.000 3.039 535 T HA 0.207 4.562 4.350 0.009 0.000 0.250 535 T C 0.811 175.373 174.700 -0.231 0.000 1.052 535 T CA -0.385 61.545 62.100 -0.283 0.000 1.125 535 T CB -0.084 68.654 68.868 -0.216 0.000 0.908 535 T HN 0.138 nan 8.240 nan 0.000 0.473 536 L N 2.446 123.550 121.223 -0.198 0.000 2.714 536 L HA -0.107 4.238 4.340 0.009 0.000 0.301 536 L C 1.877 178.637 176.870 -0.184 0.000 1.248 536 L CA 0.202 54.957 54.840 -0.141 0.000 0.885 536 L CB 0.281 42.285 42.059 -0.091 0.000 1.143 536 L HN 0.227 nan 8.230 nan 0.000 0.500 537 R N 1.435 121.851 120.500 -0.139 0.000 2.103 537 R HA -0.194 4.151 4.340 0.009 0.000 0.242 537 R C 1.429 177.571 176.300 -0.263 0.000 1.142 537 R CA 1.724 57.717 56.100 -0.178 0.000 0.960 537 R CB -0.214 30.053 30.300 -0.055 0.000 0.858 537 R HN 0.700 nan 8.270 nan 0.000 0.439 538 D N 0.378 120.728 120.400 -0.083 0.000 2.354 538 D HA -0.074 4.571 4.640 0.009 0.000 0.216 538 D C -0.202 176.101 176.300 0.005 0.000 0.970 538 D CA 0.879 54.910 54.000 0.051 0.000 0.905 538 D CB 0.066 40.913 40.800 0.078 0.000 0.903 538 D HN 0.104 nan 8.370 nan 0.000 0.508 539 T N 0.719 115.132 114.554 -0.235 0.000 2.738 539 T HA 0.331 4.686 4.350 0.009 0.000 0.298 539 T C -0.308 174.158 174.700 -0.390 0.000 0.962 539 T CA -0.277 61.724 62.100 -0.164 0.000 0.972 539 T CB 0.238 69.007 68.868 -0.165 0.000 0.928 539 T HN -0.179 nan 8.240 nan 0.000 0.474 540 F N 2.759 122.795 119.950 0.144 0.000 2.577 540 F HA 0.732 5.264 4.527 0.009 0.000 0.318 540 F C -0.175 175.766 175.800 0.234 0.000 1.065 540 F CA -1.234 56.868 58.000 0.169 0.000 0.929 540 F CB 1.390 40.475 39.000 0.141 0.000 1.237 540 F HN 0.277 nan 8.300 nan 0.000 0.468 541 I N 0.763 121.608 120.570 0.458 0.000 2.785 541 I HA 0.397 4.572 4.170 0.009 0.000 0.302 541 I C -0.846 175.508 176.117 0.394 0.000 1.069 541 I CA -0.749 60.777 61.300 0.376 0.000 1.045 541 I CB 2.317 40.507 38.000 0.317 0.000 1.236 541 I HN 0.638 nan 8.210 nan 0.000 0.429 542 E N 3.957 124.320 120.200 0.271 0.000 2.299 542 E HA 0.458 4.814 4.350 0.009 0.000 0.265 542 E C 0.348 177.000 176.600 0.087 0.000 0.911 542 E CA -0.872 55.698 56.400 0.284 0.000 0.789 542 E CB 1.739 31.585 29.700 0.243 0.000 1.246 542 E HN 0.332 nan 8.360 nan 0.000 0.427 543 L N 2.178 123.461 121.223 0.099 0.000 2.352 543 L HA -0.447 3.898 4.340 0.009 0.000 0.247 543 L C 2.025 178.839 176.870 -0.093 0.000 1.123 543 L CA 3.143 57.951 54.840 -0.054 0.000 0.824 543 L CB -0.993 41.127 42.059 0.101 0.000 0.987 543 L HN 1.046 nan 8.230 nan 0.000 0.426 544 D N -1.385 119.006 120.400 -0.014 0.000 2.192 544 D HA -0.323 4.322 4.640 0.009 0.000 0.189 544 D C 1.868 178.162 176.300 -0.011 0.000 1.007 544 D CA 2.508 56.501 54.000 -0.012 0.000 0.859 544 D CB -0.729 40.076 40.800 0.009 0.000 0.936 544 D HN 0.766 nan 8.370 nan 0.000 0.447 545 Q N 0.221 120.035 119.800 0.022 0.000 1.990 545 Q HA -0.087 4.258 4.340 0.009 0.000 0.200 545 Q C 2.772 178.770 176.000 -0.003 0.000 0.980 545 Q CA 1.516 57.381 55.803 0.103 0.000 0.832 545 Q CB -0.041 28.796 28.738 0.166 0.000 0.897 545 Q HN 0.258 nan 8.270 nan 0.000 0.427 546 V N 1.738 121.565 119.914 -0.144 0.000 2.252 546 V HA -0.358 3.767 4.120 0.009 0.000 0.255 546 V C 2.339 178.215 176.094 -0.365 0.000 1.071 546 V CA 2.030 64.111 62.300 -0.364 0.000 1.050 546 V CB -0.942 30.366 31.823 -0.858 0.000 0.654 546 V HN 0.409 nan 8.190 nan 0.000 0.448 547 L N -0.040 120.995 121.223 -0.313 0.000 2.127 547 L HA -0.193 4.152 4.340 0.009 0.000 0.211 547 L C 2.520 179.237 176.870 -0.255 0.000 1.089 547 L CA 1.632 56.306 54.840 -0.277 0.000 0.757 547 L CB -0.786 41.178 42.059 -0.159 0.000 0.899 547 L HN 0.457 nan 8.230 nan 0.000 0.434 548 N N -0.070 118.530 118.700 -0.167 0.000 2.135 548 N HA -0.088 4.658 4.740 0.009 0.000 0.186 548 N C 1.965 177.339 175.510 -0.227 0.000 1.027 548 N CA 1.190 54.132 53.050 -0.180 0.000 0.849 548 N CB -0.123 38.290 38.487 -0.123 0.000 1.002 548 N HN 0.285 nan 8.380 nan 0.000 0.425 549 M N 0.802 120.297 119.600 -0.174 0.000 2.082 549 M HA -0.176 4.309 4.480 0.009 0.000 0.258 549 M C 2.143 178.311 176.300 -0.220 0.000 1.069 549 M CA 1.426 56.658 55.300 -0.113 0.000 1.102 549 M CB -0.542 32.052 32.600 -0.010 0.000 1.336 549 M HN 0.095 nan 8.290 nan 0.000 0.404 550 L N -1.370 119.572 121.223 -0.469 0.000 1.970 550 L HA -0.272 4.073 4.340 0.009 0.000 0.212 550 L C 2.646 179.061 176.870 -0.759 0.000 1.071 550 L CA 1.576 55.853 54.840 -0.940 0.000 0.751 550 L CB -1.054 40.009 42.059 -1.659 0.000 0.889 550 L HN 0.224 nan 8.230 nan 0.000 0.432 551 Y N -0.508 119.371 120.300 -0.702 0.000 2.151 551 Y HA -0.309 4.246 4.550 0.008 0.000 0.284 551 Y C 2.277 178.070 175.900 -0.179 0.000 1.166 551 Y CA 1.085 59.007 58.100 -0.297 0.000 1.163 551 Y CB -0.799 37.499 38.460 -0.270 0.000 0.974 551 Y HN 0.113 nan 8.280 nan 0.000 0.511 552 W N -0.011 121.095 121.300 -0.323 0.000 2.325 552 W HA -0.169 4.496 4.660 0.008 0.000 0.299 552 W C 0.667 177.039 176.519 -0.246 0.000 1.215 552 W CA 1.160 58.293 57.345 -0.354 0.000 1.244 552 W CB -0.336 28.888 29.460 -0.393 0.000 1.140 552 W HN -0.317 nan 8.180 nan 0.000 0.523 553 V N 3.694 123.655 119.914 0.078 0.000 2.421 553 V HA -0.066 4.060 4.120 0.009 0.000 0.271 553 V C -0.676 175.474 176.094 0.093 0.000 1.031 553 V CA -0.703 61.641 62.300 0.074 0.000 1.032 553 V CB 0.568 32.417 31.823 0.043 0.000 1.009 553 V HN -0.037 nan 8.190 nan 0.000 0.477 554 P HA -0.144 nan 4.420 nan 0.000 0.216 554 P C 0.607 177.972 177.300 0.108 0.000 1.150 554 P CA 1.218 64.348 63.100 0.051 0.000 0.837 554 P CB 0.409 32.133 31.700 0.040 0.000 0.786 555 D N -1.681 118.794 120.400 0.125 0.000 2.325 555 D HA -0.010 4.635 4.640 0.009 0.000 0.234 555 D C 0.388 176.804 176.300 0.194 0.000 1.122 555 D CA -0.218 53.856 54.000 0.124 0.000 0.850 555 D CB -0.513 40.341 40.800 0.089 0.000 0.921 555 D HN 0.178 nan 8.370 nan 0.000 0.513 556 W N 3.758 125.075 121.300 0.028 0.000 2.257 556 W HA -0.073 4.592 4.660 0.008 0.000 0.337 556 W C 1.078 177.620 176.519 0.038 0.000 1.321 556 W CA -0.633 56.736 57.345 0.039 0.000 1.267 556 W CB 0.548 30.044 29.460 0.062 0.000 1.187 556 W HN -0.001 nan 8.180 nan 0.000 0.565 557 D N 3.619 123.829 120.400 -0.317 0.000 2.325 557 D HA 0.041 4.686 4.640 0.009 0.000 0.234 557 D C 1.584 177.343 176.300 -0.902 0.000 1.122 557 D CA 0.474 54.220 54.000 -0.424 0.000 0.850 557 D CB -0.672 40.012 40.800 -0.194 0.000 0.921 557 D HN 0.761 nan 8.370 nan 0.000 0.513 558 G N 0.269 107.854 108.800 -2.025 0.000 2.256 558 G HA2 -0.308 3.657 3.960 0.009 0.000 0.279 558 G HA3 -0.308 3.657 3.960 0.009 0.000 0.279 558 G C 0.337 174.413 174.900 -1.374 0.000 0.998 558 G CA 0.589 44.184 45.100 -2.508 0.000 0.720 558 G HN 0.416 nan 8.290 nan 0.000 0.521 559 V N 2.250 121.700 119.914 -0.772 0.000 2.304 559 V HA 0.324 4.449 4.120 0.009 0.000 0.269 559 V C 1.099 177.344 176.094 0.251 0.000 1.036 559 V CA -0.812 61.402 62.300 -0.144 0.000 0.840 559 V CB 0.900 32.675 31.823 -0.081 0.000 1.036 559 V HN 0.332 nan 8.190 nan 0.000 0.466 560 I N 8.773 129.570 120.570 0.377 0.000 2.742 560 I HA 0.072 4.248 4.170 0.009 0.000 0.287 560 I C -1.434 174.904 176.117 0.368 0.000 1.186 560 I CA -0.726 60.847 61.300 0.454 0.000 1.417 560 I CB 0.473 38.687 38.000 0.358 0.000 1.377 560 I HN 0.429 nan 8.210 nan 0.000 0.556 561 P HA 0.142 nan 4.420 nan 0.000 0.282 561 P C -0.499 177.080 177.300 0.465 0.000 1.249 561 P CA -0.453 62.866 63.100 0.365 0.000 0.806 561 P CB 0.776 32.676 31.700 0.333 0.000 0.984 562 T N 4.637 119.332 114.554 0.236 0.000 2.902 562 T HA 0.134 4.490 4.350 0.009 0.000 0.301 562 T C -2.021 172.589 174.700 -0.150 0.000 1.012 562 T CA -0.213 61.932 62.100 0.075 0.000 1.151 562 T CB -0.735 68.145 68.868 0.020 0.000 0.946 562 T HN 0.371 nan 8.240 nan 0.000 0.542 563 P HA 0.087 nan 4.420 nan 0.000 0.267 563 P C 0.327 177.330 177.300 -0.496 0.000 1.201 563 P CA -0.126 62.221 63.100 -1.256 0.000 0.775 563 P CB 0.400 31.233 31.700 -1.445 0.000 0.854 564 A N 3.124 125.754 122.820 -0.317 0.000 2.014 564 A HA 0.002 4.328 4.320 0.009 0.000 0.218 564 A C 0.948 178.473 177.584 -0.099 0.000 1.163 564 A CA 1.232 53.218 52.037 -0.084 0.000 0.652 564 A CB -0.572 18.470 19.000 0.070 0.000 0.808 564 A HN 0.502 nan 8.150 nan 0.000 0.449 565 I N -0.816 119.644 120.570 -0.182 0.000 2.569 565 I HA 0.363 4.538 4.170 0.009 0.000 0.296 565 I C 0.094 176.074 176.117 -0.229 0.000 1.028 565 I CA -0.324 60.877 61.300 -0.164 0.000 1.082 565 I CB 2.112 40.020 38.000 -0.153 0.000 1.264 565 I HN 0.096 nan 8.210 nan 0.000 0.429 566 I N 3.917 124.392 120.570 -0.159 0.000 4.439 566 I HA 0.031 4.206 4.170 0.009 0.000 0.331 566 I C 1.151 177.212 176.117 -0.094 0.000 1.345 566 I CA -0.223 60.991 61.300 -0.143 0.000 1.193 566 I CB 0.126 38.056 38.000 -0.116 0.000 1.221 566 I HN 0.570 nan 8.210 nan 0.000 0.429 567 K N 3.115 123.463 120.400 -0.087 0.000 2.797 567 K HA 0.109 4.434 4.320 0.009 0.000 0.307 567 K C -1.219 175.346 176.600 -0.057 0.000 1.072 567 K CA -0.337 55.911 56.287 -0.065 0.000 0.981 567 K CB -1.472 30.989 32.500 -0.066 0.000 1.078 567 K HN -0.237 nan 8.250 nan 0.000 0.459 568 P HA -0.250 nan 4.420 nan 0.000 0.222 568 P C -0.467 176.814 177.300 -0.031 0.000 1.152 568 P CA 1.747 64.825 63.100 -0.037 0.000 0.838 568 P CB 0.072 31.750 31.700 -0.038 0.000 0.771 569 K N -0.983 119.390 120.400 -0.045 0.000 2.557 569 K HA 0.304 4.629 4.320 0.009 0.000 0.257 569 K C -3.076 173.492 176.600 -0.053 0.000 0.933 569 K CA -2.046 54.226 56.287 -0.025 0.000 0.820 569 K CB 2.628 35.118 32.500 -0.016 0.000 1.330 569 K HN -0.263 nan 8.250 nan 0.000 0.432 570 P HA 0.206 nan 4.420 nan 0.000 0.283 570 P C -1.145 176.084 177.300 -0.118 0.000 1.412 570 P CA -0.512 62.490 63.100 -0.163 0.000 0.912 570 P CB 0.481 32.095 31.700 -0.143 0.000 1.132 571 L N 4.354 125.495 121.223 -0.137 0.000 2.334 571 L HA 0.526 4.872 4.340 0.009 0.000 0.276 571 L C 0.294 177.239 176.870 0.126 0.000 1.014 571 L CA -0.457 54.462 54.840 0.131 0.000 0.815 571 L CB 1.033 43.130 42.059 0.063 0.000 1.268 571 L HN 0.371 nan 8.230 nan 0.000 0.428 572 W N 0.918 122.344 121.300 0.210 0.000 2.578 572 W HA 0.569 5.235 4.660 0.009 0.000 0.353 572 W C 0.362 177.028 176.519 0.246 0.000 1.088 572 W CA -0.652 56.809 57.345 0.192 0.000 1.235 572 W CB 2.157 31.691 29.460 0.123 0.000 1.362 572 W HN 0.576 nan 8.180 nan 0.000 0.592 573 S N -0.243 115.654 115.700 0.328 0.000 2.730 573 S HA 0.530 5.006 4.470 0.009 0.000 0.284 573 S C 0.895 175.487 174.600 -0.013 0.000 1.153 573 S CA -0.033 58.168 58.200 0.000 0.000 0.995 573 S CB 1.373 64.497 63.200 -0.126 0.000 1.058 573 S HN 0.589 nan 8.310 nan 0.000 0.552 574 G N 0.796 109.490 108.800 -0.177 0.000 2.434 574 G HA2 -0.135 3.831 3.960 0.009 0.000 0.214 574 G HA3 -0.135 3.831 3.960 0.009 0.000 0.214 574 G C 1.220 176.030 174.900 -0.150 0.000 1.202 574 G CA 0.704 45.675 45.100 -0.216 0.000 0.788 574 G HN 0.782 nan 8.290 nan 0.000 0.539 575 K N 0.180 120.493 120.400 -0.146 0.000 2.052 575 K HA -0.246 4.080 4.320 0.009 0.000 0.215 575 K C 2.646 179.223 176.600 -0.039 0.000 1.053 575 K CA 1.785 58.013 56.287 -0.099 0.000 0.934 575 K CB -0.334 32.116 32.500 -0.083 0.000 0.717 575 K HN 0.327 nan 8.250 nan 0.000 0.450 576 Q N 0.341 120.150 119.800 0.016 0.000 2.028 576 Q HA -0.254 4.091 4.340 0.009 0.000 0.213 576 Q C 2.357 178.408 176.000 0.085 0.000 1.017 576 Q CA 2.486 58.350 55.803 0.101 0.000 0.875 576 Q CB -0.506 28.371 28.738 0.231 0.000 0.962 576 Q HN 0.600 nan 8.270 nan 0.000 0.413 577 I N -1.942 118.658 120.570 0.050 0.000 2.286 577 I HA -0.174 4.001 4.170 0.009 0.000 0.245 577 I C 2.385 178.480 176.117 -0.036 0.000 1.104 577 I CA 0.807 62.102 61.300 -0.007 0.000 1.397 577 I CB -0.526 37.445 38.000 -0.048 0.000 1.072 577 I HN 0.111 nan 8.210 nan 0.000 0.417 578 L N 2.084 123.268 121.223 -0.064 0.000 2.051 578 L HA -0.222 4.123 4.340 0.009 0.000 0.214 578 L C 2.515 179.352 176.870 -0.055 0.000 1.076 578 L CA 2.138 56.930 54.840 -0.080 0.000 0.758 578 L CB -0.968 41.020 42.059 -0.119 0.000 0.890 578 L HN 0.279 nan 8.230 nan 0.000 0.433 579 S N -1.208 114.469 115.700 -0.038 0.000 2.462 579 S HA -0.167 4.309 4.470 0.009 0.000 0.243 579 S C 1.906 176.508 174.600 0.003 0.000 1.003 579 S CA 1.184 59.371 58.200 -0.022 0.000 0.970 579 S CB -0.555 62.644 63.200 -0.001 0.000 0.762 579 S HN 0.418 nan 8.310 nan 0.000 0.510 580 V N 1.500 121.423 119.914 0.014 0.000 2.453 580 V HA -0.144 3.981 4.120 0.009 0.000 0.247 580 V C 2.607 178.722 176.094 0.035 0.000 1.048 580 V CA 1.482 63.813 62.300 0.051 0.000 1.049 580 V CB -1.222 30.623 31.823 0.038 0.000 0.672 580 V HN 0.550 nan 8.190 nan 0.000 0.457 581 A N 0.197 123.014 122.820 -0.004 0.000 1.877 581 A HA -0.046 4.280 4.320 0.009 0.000 0.216 581 A C 1.258 178.827 177.584 -0.026 0.000 1.186 581 A CA 0.914 52.942 52.037 -0.016 0.000 0.620 581 A CB -0.559 18.413 19.000 -0.047 0.000 0.822 581 A HN 0.506 nan 8.150 nan 0.000 0.443 582 I N 2.378 122.923 120.570 -0.043 0.000 2.668 582 I HA 0.072 4.247 4.170 0.009 0.000 0.285 582 I C -1.759 174.337 176.117 -0.034 0.000 1.168 582 I CA -1.551 59.715 61.300 -0.057 0.000 1.424 582 I CB 0.512 38.468 38.000 -0.073 0.000 1.377 582 I HN 0.253 nan 8.210 nan 0.000 0.560 583 P HA 0.107 nan 4.420 nan 0.000 0.277 583 P C -0.951 176.325 177.300 -0.041 0.000 1.276 583 P CA -0.518 62.570 63.100 -0.020 0.000 0.788 583 P CB 0.582 32.274 31.700 -0.014 0.000 1.114 584 N N -1.100 117.582 118.700 -0.030 0.000 2.483 584 N HA 0.279 5.024 4.740 0.009 0.000 0.269 584 N C 1.327 176.791 175.510 -0.076 0.000 1.209 584 N CA 0.668 53.689 53.050 -0.049 0.000 0.969 584 N CB -0.037 38.440 38.487 -0.017 0.000 1.173 584 N HN 0.803 nan 8.380 nan 0.000 0.475 585 G N -0.180 108.539 108.800 -0.134 0.000 2.159 585 G HA2 -0.217 3.748 3.960 0.009 0.000 0.256 585 G HA3 -0.217 3.748 3.960 0.009 0.000 0.256 585 G C -0.135 174.572 174.900 -0.322 0.000 0.977 585 G CA -0.227 44.793 45.100 -0.134 0.000 0.652 585 G HN 0.463 nan 8.290 nan 0.000 0.531 586 I N 2.155 122.481 120.570 -0.407 0.000 2.331 586 I HA 0.439 4.614 4.170 0.009 0.000 0.292 586 I C 0.279 176.070 176.117 -0.543 0.000 0.998 586 I CA -0.593 60.514 61.300 -0.321 0.000 1.267 586 I CB 0.801 38.702 38.000 -0.165 0.000 1.386 586 I HN 0.117 nan 8.210 nan 0.000 0.476 587 H N 6.309 125.375 119.070 -0.007 0.000 2.622 587 H HA 0.669 5.230 4.556 0.009 0.000 0.363 587 H C -1.154 174.155 175.328 -0.031 0.000 1.151 587 H CA -0.911 55.128 56.048 -0.014 0.000 1.184 587 H CB 3.243 33.009 29.762 0.006 0.000 1.643 587 H HN 0.334 nan 8.280 nan 0.000 0.531 588 L N 2.034 123.287 121.223 0.051 0.000 2.737 588 L HA 0.183 4.528 4.340 0.009 0.000 0.261 588 L C -1.212 175.623 176.870 -0.059 0.000 0.949 588 L CA -0.096 54.736 54.840 -0.012 0.000 0.952 588 L CB 1.821 43.845 42.059 -0.059 0.000 1.337 588 L HN 0.618 nan 8.230 nan 0.000 0.430 589 Q N 3.030 122.822 119.800 -0.012 0.000 2.226 589 Q HA 0.590 4.936 4.340 0.009 0.000 0.256 589 Q C -0.246 175.758 176.000 0.007 0.000 0.962 589 Q CA -0.432 55.370 55.803 -0.001 0.000 0.887 589 Q CB 2.994 31.834 28.738 0.169 0.000 1.282 589 Q HN 0.744 nan 8.270 nan 0.000 0.449 590 R N 0.982 121.452 120.500 -0.050 0.000 3.319 590 R HA 0.274 4.619 4.340 0.009 0.000 0.126 590 R C -0.990 175.448 176.300 0.230 0.000 1.797 590 R CA 0.040 56.146 56.100 0.011 0.000 1.391 590 R CB 0.749 30.973 30.300 -0.126 0.000 1.312 590 R HN 0.576 nan 8.270 nan 0.000 0.455 591 F N 1.999 121.980 119.950 0.052 0.000 2.160 591 F HA -0.179 4.353 4.527 0.009 0.000 0.500 591 F C -0.624 175.198 175.800 0.037 0.000 1.264 591 F CA 0.303 58.348 58.000 0.076 0.000 1.610 591 F CB -0.716 38.321 39.000 0.062 0.000 2.559 591 F HN 0.353 nan 8.300 nan 0.000 0.729 592 D N 2.313 122.802 120.400 0.149 0.000 2.530 592 D HA 0.220 4.865 4.640 0.009 0.000 0.282 592 D C 1.420 177.781 176.300 0.102 0.000 1.204 592 D CA -0.321 53.734 54.000 0.092 0.000 1.093 592 D CB 0.349 41.177 40.800 0.047 0.000 1.154 592 D HN 0.584 nan 8.370 nan 0.000 0.593 593 E N 0.196 120.433 120.200 0.060 0.000 2.045 593 E HA -0.181 4.174 4.350 0.009 0.000 0.212 593 E C 1.351 177.989 176.600 0.064 0.000 1.039 593 E CA 1.489 57.919 56.400 0.050 0.000 0.860 593 E CB -0.285 29.431 29.700 0.027 0.000 0.776 593 E HN 0.488 nan 8.360 nan 0.000 0.467 594 G N 0.981 109.814 108.800 0.055 0.000 3.518 594 G HA2 0.064 4.029 3.960 0.009 0.000 0.273 594 G HA3 0.064 4.029 3.960 0.009 0.000 0.273 594 G C -0.049 174.893 174.900 0.069 0.000 1.199 594 G CA -0.212 44.920 45.100 0.053 0.000 0.899 594 G HN 0.042 nan 8.290 nan 0.000 0.533 595 T N 0.975 115.606 114.554 0.129 0.000 2.856 595 T HA 0.423 4.778 4.350 0.009 0.000 0.306 595 T C 0.507 175.323 174.700 0.194 0.000 1.062 595 T CA 0.452 62.639 62.100 0.144 0.000 1.083 595 T CB 0.975 69.972 68.868 0.215 0.000 0.984 595 T HN 0.206 nan 8.240 nan 0.000 0.542 596 T N 0.444 115.042 114.554 0.073 0.000 4.024 596 T HA 0.185 4.541 4.350 0.009 0.000 0.193 596 T C 0.169 174.827 174.700 -0.070 0.000 0.697 596 T CA -0.970 61.186 62.100 0.093 0.000 1.393 596 T CB -1.002 67.881 68.868 0.024 0.000 0.962 596 T HN 0.543 nan 8.240 nan 0.000 0.583 597 L N 1.044 122.208 121.223 -0.098 0.000 4.356 597 L HA -0.190 4.156 4.340 0.009 0.000 0.506 597 L C 0.878 177.540 176.870 -0.347 0.000 1.022 597 L CA 0.949 55.634 54.840 -0.259 0.000 0.782 597 L CB -1.229 40.853 42.059 0.038 0.000 1.782 597 L HN 0.761 nan 8.230 nan 0.000 0.853 598 L N -1.419 119.498 121.223 -0.509 0.000 5.473 598 L HA -0.021 4.324 4.340 0.009 0.000 0.554 598 L C 0.816 177.493 176.870 -0.321 0.000 0.724 598 L CA 0.447 55.090 54.840 -0.329 0.000 2.268 598 L CB 0.141 42.103 42.059 -0.161 0.000 1.746 598 L HN 0.375 nan 8.230 nan 0.000 0.567 599 S N 1.180 116.599 115.700 -0.469 0.000 3.649 599 S HA -0.106 4.369 4.470 0.009 0.000 0.266 599 S C -0.991 173.524 174.600 -0.142 0.000 0.483 599 S CA -0.011 58.022 58.200 -0.278 0.000 1.677 599 S CB -0.841 62.186 63.200 -0.288 0.000 1.239 599 S HN 0.402 nan 8.310 nan 0.000 0.425 600 P HA -0.172 nan 4.420 nan 0.000 0.219 600 P C 0.518 177.800 177.300 -0.029 0.000 1.144 600 P CA 1.295 64.365 63.100 -0.051 0.000 0.806 600 P CB 0.042 31.722 31.700 -0.035 0.000 0.771 601 K N -0.527 119.859 120.400 -0.024 0.000 2.437 601 K HA 0.064 4.389 4.320 0.009 0.000 0.205 601 K C 0.112 176.712 176.600 0.001 0.000 1.026 601 K CA -0.252 56.031 56.287 -0.006 0.000 1.153 601 K CB -0.295 32.206 32.500 0.002 0.000 0.863 601 K HN -0.124 nan 8.250 nan 0.000 0.502 602 D N 1.731 122.130 120.400 -0.002 0.000 2.697 602 D HA -0.178 4.467 4.640 0.009 0.000 0.235 602 D C -0.648 175.685 176.300 0.055 0.000 1.167 602 D CA 0.565 54.583 54.000 0.031 0.000 0.656 602 D CB -1.018 39.786 40.800 0.007 0.000 1.025 602 D HN 0.190 nan 8.370 nan 0.000 0.419 603 N N -0.468 118.276 118.700 0.073 0.000 2.538 603 N HA 0.695 5.440 4.740 0.009 0.000 0.292 603 N C 1.262 176.851 175.510 0.131 0.000 1.262 603 N CA 0.592 53.686 53.050 0.073 0.000 0.976 603 N CB 0.389 38.905 38.487 0.049 0.000 1.161 603 N HN 0.388 nan 8.380 nan 0.000 0.598 604 G N 0.111 108.938 108.800 0.046 0.000 2.564 604 G HA2 -0.234 3.731 3.960 0.009 0.000 0.309 604 G HA3 -0.234 3.731 3.960 0.009 0.000 0.309 604 G C -0.317 174.474 174.900 -0.181 0.000 1.320 604 G CA 1.082 46.155 45.100 -0.045 0.000 0.941 604 G HN 0.691 nan 8.290 nan 0.000 0.543 605 M N -1.809 117.519 119.600 -0.452 0.000 2.490 605 M HA 0.722 5.207 4.480 0.009 0.000 0.286 605 M C -2.054 173.697 176.300 -0.915 0.000 1.185 605 M CA -0.667 54.260 55.300 -0.623 0.000 0.912 605 M CB 2.008 34.416 32.600 -0.321 0.000 1.744 605 M HN 1.424 nan 8.290 nan 0.000 0.494 606 L N 5.616 126.246 121.223 -0.987 0.000 2.555 606 L HA 0.712 5.057 4.340 0.009 0.000 0.264 606 L C -2.163 174.496 176.870 -0.352 0.000 0.972 606 L CA -0.000 54.417 54.840 -0.705 0.000 0.876 606 L CB 1.319 42.810 42.059 -0.946 0.000 1.216 606 L HN 0.744 nan 8.230 nan 0.000 0.415 607 I N 6.104 126.557 120.570 -0.195 0.000 2.389 607 I HA 0.516 4.691 4.170 0.009 0.000 0.288 607 I C -0.620 175.476 176.117 -0.035 0.000 0.999 607 I CA -0.476 60.753 61.300 -0.118 0.000 1.129 607 I CB 1.678 39.603 38.000 -0.126 0.000 1.288 607 I HN 0.474 nan 8.210 nan 0.000 0.444 608 I N 4.936 125.502 120.570 -0.007 0.000 2.608 608 I HA 0.270 4.445 4.170 0.009 0.000 0.295 608 I C -0.051 176.058 176.117 -0.013 0.000 1.049 608 I CA -0.569 60.786 61.300 0.092 0.000 1.063 608 I CB 1.856 39.950 38.000 0.157 0.000 1.248 608 I HN 0.585 nan 8.210 nan 0.000 0.424 609 D N 4.659 124.998 120.400 -0.102 0.000 2.701 609 D HA -0.196 4.449 4.640 0.009 0.000 0.235 609 D C 1.026 177.256 176.300 -0.117 0.000 1.155 609 D CA 1.534 55.477 54.000 -0.096 0.000 0.649 609 D CB -0.813 40.018 40.800 0.052 0.000 1.050 609 D HN 1.139 nan 8.370 nan 0.000 0.425 610 G N -0.239 108.443 108.800 -0.197 0.000 2.283 610 G HA2 -0.312 3.653 3.960 0.009 0.000 0.280 610 G HA3 -0.312 3.653 3.960 0.009 0.000 0.280 610 G C -0.112 174.751 174.900 -0.063 0.000 1.029 610 G CA 0.628 45.655 45.100 -0.122 0.000 0.840 610 G HN 0.521 nan 8.290 nan 0.000 0.505 611 Q N -0.684 119.083 119.800 -0.054 0.000 2.292 611 Q HA 0.426 4.771 4.340 0.009 0.000 0.270 611 Q C -0.070 175.907 176.000 -0.039 0.000 1.024 611 Q CA -0.777 55.013 55.803 -0.022 0.000 0.768 611 Q CB 1.924 30.668 28.738 0.011 0.000 1.250 611 Q HN 0.471 nan 8.270 nan 0.000 0.447 612 I N 4.728 125.269 120.570 -0.049 0.000 2.421 612 I HA 0.038 4.213 4.170 0.009 0.000 0.291 612 I C 0.847 176.934 176.117 -0.049 0.000 1.089 612 I CA 0.244 61.496 61.300 -0.079 0.000 1.354 612 I CB 0.370 38.315 38.000 -0.093 0.000 1.413 612 I HN 0.712 nan 8.210 nan 0.000 0.513 613 I N 8.071 128.606 120.570 -0.058 0.000 2.494 613 I HA 0.014 4.189 4.170 0.009 0.000 0.250 613 I C 0.050 176.238 176.117 0.118 0.000 1.112 613 I CA 0.614 61.932 61.300 0.029 0.000 1.438 613 I CB -0.053 37.988 38.000 0.068 0.000 1.111 613 I HN 0.545 nan 8.210 nan 0.000 0.431 614 F N 0.093 120.002 119.950 -0.068 0.000 2.688 614 F HA 0.719 5.251 4.527 0.009 0.000 0.308 614 F C -0.629 175.105 175.800 -0.110 0.000 1.117 614 F CA -0.989 56.960 58.000 -0.085 0.000 0.976 614 F CB 0.758 39.706 39.000 -0.086 0.000 1.291 614 F HN 0.005 nan 8.300 nan 0.000 0.439 615 G N 1.561 110.460 108.800 0.166 0.000 2.885 615 G HA2 0.306 4.271 3.960 0.009 0.000 0.685 615 G HA3 0.306 4.271 3.960 0.009 0.000 0.685 615 G C -1.637 173.233 174.900 -0.050 0.000 1.216 615 G CA -0.649 44.474 45.100 0.039 0.000 0.790 615 G HN 1.172 nan 8.290 nan 0.000 0.631 616 V N 1.587 121.475 119.914 -0.043 0.000 2.811 616 V HA 0.367 4.492 4.120 0.009 0.000 0.302 616 V C 1.147 177.183 176.094 -0.097 0.000 1.063 616 V CA -0.417 61.837 62.300 -0.078 0.000 1.088 616 V CB 1.619 33.402 31.823 -0.065 0.000 0.982 616 V HN 0.831 nan 8.190 nan 0.000 0.485 617 V N 5.369 125.212 119.914 -0.119 0.000 2.364 617 V HA 0.474 4.599 4.120 0.009 0.000 0.272 617 V C 0.065 176.094 176.094 -0.108 0.000 1.036 617 V CA -0.104 62.124 62.300 -0.120 0.000 0.880 617 V CB 0.879 32.620 31.823 -0.136 0.000 0.991 617 V HN 1.174 nan 8.190 nan 0.000 0.460 618 E N 3.233 123.380 120.200 -0.088 0.000 2.350 618 E HA 0.438 4.793 4.350 0.009 0.000 0.243 618 E C 0.782 177.348 176.600 -0.057 0.000 0.959 618 E CA -0.863 55.493 56.400 -0.073 0.000 0.883 618 E CB 0.534 30.197 29.700 -0.062 0.000 1.820 618 E HN 0.022 nan 8.360 nan 0.000 0.441 619 K N 0.210 120.585 120.400 -0.041 0.000 2.077 619 K HA -0.264 4.061 4.320 0.009 0.000 0.213 619 K C 1.640 178.225 176.600 -0.024 0.000 1.051 619 K CA 2.364 58.636 56.287 -0.026 0.000 0.929 619 K CB -0.254 32.238 32.500 -0.014 0.000 0.715 619 K HN 0.374 nan 8.250 nan 0.000 0.451 620 K N -0.660 119.723 120.400 -0.028 0.000 2.103 620 K HA -0.120 4.205 4.320 0.009 0.000 0.207 620 K C 2.094 178.672 176.600 -0.037 0.000 1.048 620 K CA 1.945 58.216 56.287 -0.027 0.000 0.930 620 K CB -0.097 32.386 32.500 -0.028 0.000 0.716 620 K HN 0.222 nan 8.250 nan 0.000 0.444 621 T N -0.032 114.489 114.554 -0.055 0.000 2.814 621 T HA -0.046 4.309 4.350 0.009 0.000 0.254 621 T C 1.795 176.455 174.700 -0.067 0.000 1.037 621 T CA 0.850 62.907 62.100 -0.071 0.000 1.143 621 T CB 0.061 68.870 68.868 -0.097 0.000 0.866 621 T HN 0.008 nan 8.240 nan 0.000 0.431 622 V N 1.067 120.941 119.914 -0.067 0.000 3.578 622 V HA 0.428 4.553 4.120 0.009 0.000 0.290 622 V C 1.339 177.412 176.094 -0.035 0.000 1.376 622 V CA 0.136 62.391 62.300 -0.074 0.000 1.083 622 V CB -0.547 31.219 31.823 -0.095 0.000 0.911 622 V HN 0.493 nan 8.190 nan 0.000 0.433 623 G N 0.562 109.352 108.800 -0.017 0.000 2.527 623 G HA2 0.117 4.083 3.960 0.009 0.000 0.279 623 G HA3 0.117 4.083 3.960 0.009 0.000 0.279 623 G C 0.615 175.533 174.900 0.030 0.000 1.374 623 G CA 0.430 45.535 45.100 0.010 0.000 1.053 623 G HN 0.746 nan 8.290 nan 0.000 0.539 624 S N -0.873 114.851 115.700 0.040 0.000 2.577 624 S HA 0.415 4.890 4.470 0.009 0.000 0.239 624 S C 0.647 175.270 174.600 0.040 0.000 1.236 624 S CA 0.076 58.305 58.200 0.048 0.000 1.233 624 S CB -0.437 62.788 63.200 0.041 0.000 0.908 624 S HN 0.872 nan 8.310 nan 0.000 0.493 625 S N 0.895 116.620 115.700 0.042 0.000 2.686 625 S HA 0.363 4.839 4.470 0.009 0.000 0.270 625 S C 1.082 175.740 174.600 0.096 0.000 1.194 625 S CA -0.771 57.458 58.200 0.048 0.000 0.990 625 S CB 0.475 63.690 63.200 0.024 0.000 1.029 625 S HN 0.368 nan 8.310 nan 0.000 0.560 626 N N 0.985 119.743 118.700 0.096 0.000 2.028 626 N HA -0.090 4.655 4.740 0.009 0.000 0.194 626 N C 1.907 177.477 175.510 0.100 0.000 1.050 626 N CA 1.736 54.883 53.050 0.161 0.000 0.848 626 N CB -1.156 37.359 38.487 0.046 0.000 1.038 626 N HN 0.828 nan 8.380 nan 0.000 0.423 627 G N 0.092 108.896 108.800 0.006 0.000 2.432 627 G HA2 -0.060 3.905 3.960 0.009 0.000 0.219 627 G HA3 -0.060 3.905 3.960 0.009 0.000 0.219 627 G C 0.758 175.658 174.900 -0.000 0.000 1.135 627 G CA 0.713 45.791 45.100 -0.036 0.000 0.767 627 G HN 0.551 nan 8.290 nan 0.000 0.550 628 G N 0.049 108.868 108.800 0.032 0.000 2.884 628 G HA2 -0.162 3.803 3.960 0.009 0.000 0.247 628 G HA3 -0.162 3.803 3.960 0.009 0.000 0.247 628 G C 0.972 175.881 174.900 0.016 0.000 0.585 628 G CA 0.013 45.129 45.100 0.027 0.000 1.101 628 G HN 0.320 nan 8.290 nan 0.000 0.283 629 L N 2.197 123.400 121.223 -0.034 0.000 2.261 629 L HA -0.087 4.258 4.340 0.009 0.000 0.216 629 L C 2.431 179.267 176.870 -0.057 0.000 1.114 629 L CA 1.569 56.373 54.840 -0.061 0.000 0.777 629 L CB -0.339 41.657 42.059 -0.104 0.000 0.910 629 L HN 0.722 nan 8.230 nan 0.000 0.440 630 I N -1.556 118.990 120.570 -0.040 0.000 2.339 630 I HA -0.233 3.943 4.170 0.009 0.000 0.245 630 I C 2.520 178.678 176.117 0.068 0.000 1.096 630 I CA 0.414 61.696 61.300 -0.030 0.000 1.408 630 I CB -0.553 37.442 38.000 -0.008 0.000 1.092 630 I HN 0.255 nan 8.210 nan 0.000 0.423 631 H N 1.207 120.274 119.070 -0.004 0.000 2.319 631 H HA -0.134 4.427 4.556 0.009 0.000 0.299 631 H C 2.260 177.589 175.328 0.002 0.000 1.092 631 H CA 1.835 57.885 56.048 0.004 0.000 1.302 631 H CB -0.107 29.656 29.762 0.001 0.000 1.373 631 H HN 0.061 nan 8.280 nan 0.000 0.497 632 V N -0.065 119.941 119.914 0.153 0.000 2.307 632 V HA -0.186 3.939 4.120 0.009 0.000 0.245 632 V C 2.867 178.998 176.094 0.062 0.000 1.045 632 V CA 1.445 63.788 62.300 0.071 0.000 1.024 632 V CB -0.551 31.284 31.823 0.020 0.000 0.651 632 V HN 0.225 nan 8.190 nan 0.000 0.449 633 V N -0.061 119.873 119.914 0.033 0.000 2.759 633 V HA -0.203 3.922 4.120 0.009 0.000 0.256 633 V C 2.435 178.553 176.094 0.040 0.000 1.080 633 V CA 2.291 64.599 62.300 0.013 0.000 1.101 633 V CB -0.706 31.096 31.823 -0.036 0.000 0.698 633 V HN 0.644 nan 8.190 nan 0.000 0.477 634 T N -0.755 113.838 114.554 0.065 0.000 2.809 634 T HA -0.079 4.276 4.350 0.009 0.000 0.260 634 T C 2.156 176.902 174.700 0.076 0.000 1.039 634 T CA 0.737 62.877 62.100 0.067 0.000 1.141 634 T CB -0.180 68.718 68.868 0.050 0.000 0.869 634 T HN 0.228 nan 8.240 nan 0.000 0.437 635 R N 0.891 121.455 120.500 0.107 0.000 2.096 635 R HA 0.017 4.362 4.340 0.009 0.000 0.235 635 R C 2.292 178.647 176.300 0.091 0.000 1.127 635 R CA 1.244 57.413 56.100 0.115 0.000 0.968 635 R CB -0.305 30.080 30.300 0.142 0.000 0.861 635 R HN 0.407 nan 8.270 nan 0.000 0.440 636 E N 0.139 120.387 120.200 0.079 0.000 2.057 636 E HA -0.009 4.346 4.350 0.009 0.000 0.190 636 E C 1.486 178.126 176.600 0.067 0.000 0.969 636 E CA 0.934 57.379 56.400 0.075 0.000 0.812 636 E CB 0.259 30.003 29.700 0.072 0.000 0.777 636 E HN -0.087 nan 8.360 nan 0.000 0.455 637 K N -0.559 119.873 120.400 0.052 0.000 2.356 637 K HA 0.291 4.617 4.320 0.009 0.000 0.195 637 K C 0.221 176.849 176.600 0.047 0.000 1.037 637 K CA 0.755 57.069 56.287 0.045 0.000 1.014 637 K CB 1.116 33.633 32.500 0.029 0.000 0.815 637 K HN 0.217 nan 8.250 nan 0.000 0.507 638 G N 1.645 110.476 108.800 0.052 0.000 2.525 638 G HA2 -0.111 3.854 3.960 0.009 0.000 0.685 638 G HA3 -0.111 3.854 3.960 0.009 0.000 0.685 638 G C -2.381 172.549 174.900 0.050 0.000 1.285 638 G CA -0.508 44.622 45.100 0.051 0.000 0.849 638 G HN -0.212 nan 8.290 nan 0.000 0.653 639 P HA -0.227 nan 4.420 nan 0.000 0.214 639 P C 1.566 178.899 177.300 0.054 0.000 1.163 639 P CA 1.943 65.068 63.100 0.041 0.000 0.889 639 P CB 0.046 31.758 31.700 0.019 0.000 0.790 640 Q N -0.321 119.506 119.800 0.045 0.000 2.030 640 Q HA -0.109 4.237 4.340 0.009 0.000 0.204 640 Q C 2.462 178.501 176.000 0.064 0.000 0.986 640 Q CA 1.574 57.407 55.803 0.051 0.000 0.843 640 Q CB -0.945 27.816 28.738 0.038 0.000 0.904 640 Q HN 0.084 nan 8.270 nan 0.000 0.420 641 V N 0.666 120.612 119.914 0.054 0.000 2.324 641 V HA -0.334 3.791 4.120 0.009 0.000 0.250 641 V C 2.393 178.523 176.094 0.061 0.000 1.060 641 V CA 1.792 64.121 62.300 0.050 0.000 1.042 641 V CB -0.624 31.221 31.823 0.037 0.000 0.650 641 V HN 0.612 nan 8.190 nan 0.000 0.450 642 C N -0.009 119.336 119.300 0.075 0.000 2.446 642 C HA 0.090 4.555 4.460 0.009 0.000 0.279 642 C C 2.986 178.118 174.990 0.237 0.000 1.366 642 C CA 0.369 59.446 59.018 0.099 0.000 1.763 642 C CB -1.283 26.520 27.740 0.106 0.000 1.929 642 C HN 0.583 nan 8.230 nan 0.000 0.509 643 A N 0.530 123.476 122.820 0.210 0.000 1.858 643 A HA -0.181 4.144 4.320 0.009 0.000 0.216 643 A C 2.280 180.042 177.584 0.296 0.000 1.190 643 A CA 1.867 54.054 52.037 0.252 0.000 0.617 643 A CB -0.690 18.378 19.000 0.112 0.000 0.827 643 A HN 0.701 nan 8.150 nan 0.000 0.443 644 K N -0.972 119.529 120.400 0.168 0.000 2.063 644 K HA -0.172 4.153 4.320 0.009 0.000 0.208 644 K C 1.883 178.552 176.600 0.115 0.000 1.048 644 K CA 1.408 57.772 56.287 0.128 0.000 0.928 644 K CB -0.422 32.126 32.500 0.080 0.000 0.713 644 K HN 0.369 nan 8.250 nan 0.000 0.442 645 L N 0.959 122.216 121.223 0.056 0.000 2.085 645 L HA -0.249 4.096 4.340 0.009 0.000 0.218 645 L C 1.712 178.503 176.870 -0.131 0.000 1.080 645 L CA 1.805 56.595 54.840 -0.083 0.000 0.776 645 L CB -0.654 41.279 42.059 -0.211 0.000 0.891 645 L HN 0.089 nan 8.230 nan 0.000 0.437 646 F N -0.293 119.659 119.950 0.004 0.000 2.026 646 F HA -0.096 4.436 4.527 0.009 0.000 0.296 646 F C 2.564 178.364 175.800 0.001 0.000 1.133 646 F CA 1.823 59.825 58.000 0.003 0.000 1.188 646 F CB -1.506 37.502 39.000 0.013 0.000 0.968 646 F HN 0.177 nan 8.300 nan 0.000 0.476 647 G N -0.069 108.861 108.800 0.216 0.000 2.491 647 G HA2 -0.323 3.643 3.960 0.009 0.000 0.218 647 G HA3 -0.323 3.643 3.960 0.009 0.000 0.218 647 G C 1.601 176.534 174.900 0.055 0.000 1.180 647 G CA 1.364 46.532 45.100 0.114 0.000 0.774 647 G HN 0.240 nan 8.290 nan 0.000 0.562 648 N N 0.945 119.673 118.700 0.046 0.000 2.005 648 N HA -0.132 4.613 4.740 0.009 0.000 0.199 648 N C 2.273 177.771 175.510 -0.019 0.000 1.054 648 N CA 1.406 54.467 53.050 0.018 0.000 0.864 648 N CB -0.708 37.788 38.487 0.014 0.000 1.063 648 N HN 0.360 nan 8.380 nan 0.000 0.428 649 I N 1.406 121.950 120.570 -0.044 0.000 2.181 649 I HA -0.379 3.796 4.170 0.009 0.000 0.247 649 I C 2.327 178.412 176.117 -0.053 0.000 1.081 649 I CA 1.481 62.740 61.300 -0.069 0.000 1.340 649 I CB -0.442 37.490 38.000 -0.113 0.000 1.036 649 I HN 0.308 nan 8.210 nan 0.000 0.417 650 Q N 0.722 120.506 119.800 -0.026 0.000 1.942 650 Q HA -0.231 4.114 4.340 0.009 0.000 0.203 650 Q C 2.297 178.240 176.000 -0.095 0.000 0.987 650 Q CA 1.559 57.343 55.803 -0.030 0.000 0.844 650 Q CB -0.221 28.524 28.738 0.013 0.000 0.911 650 Q HN 0.409 nan 8.270 nan 0.000 0.423 651 K N 0.064 120.393 120.400 -0.117 0.000 2.077 651 K HA -0.229 4.096 4.320 0.009 0.000 0.213 651 K C 2.111 178.512 176.600 -0.331 0.000 1.051 651 K CA 1.946 58.065 56.287 -0.279 0.000 0.929 651 K CB -0.319 32.094 32.500 -0.145 0.000 0.715 651 K HN 0.051 nan 8.250 nan 0.000 0.451 652 V N 0.513 120.338 119.914 -0.148 0.000 2.229 652 V HA -0.235 3.890 4.120 0.009 0.000 0.243 652 V C 2.286 178.387 176.094 0.011 0.000 1.042 652 V CA 1.772 64.027 62.300 -0.074 0.000 1.000 652 V CB -0.577 31.223 31.823 -0.037 0.000 0.637 652 V HN 0.085 nan 8.190 nan 0.000 0.446 653 V N 0.810 120.716 119.914 -0.012 0.000 2.332 653 V HA -0.278 3.847 4.120 0.009 0.000 0.248 653 V C 2.405 178.542 176.094 0.071 0.000 1.055 653 V CA 2.233 64.550 62.300 0.028 0.000 1.038 653 V CB -1.015 30.784 31.823 -0.039 0.000 0.651 653 V HN 0.552 nan 8.190 nan 0.000 0.450 654 N N -0.233 118.450 118.700 -0.028 0.000 2.043 654 N HA -0.191 4.554 4.740 0.009 0.000 0.193 654 N C 1.771 177.217 175.510 -0.106 0.000 1.037 654 N CA 1.920 54.927 53.050 -0.072 0.000 0.851 654 N CB -0.495 37.909 38.487 -0.139 0.000 1.027 654 N HN 0.534 nan 8.380 nan 0.000 0.422 655 F N 0.523 120.275 119.950 -0.329 0.000 2.046 655 F HA -0.228 4.304 4.527 0.008 0.000 0.297 655 F C 2.432 178.142 175.800 -0.150 0.000 1.123 655 F CA 1.711 59.492 58.000 -0.365 0.000 1.199 655 F CB -0.769 37.894 39.000 -0.562 0.000 0.972 655 F HN 0.147 nan 8.300 nan 0.000 0.474 656 W N 0.707 121.992 121.300 -0.024 0.000 2.305 656 W HA -0.292 4.374 4.660 0.009 0.000 0.308 656 W C 2.123 178.558 176.519 -0.140 0.000 1.226 656 W CA 2.187 59.509 57.345 -0.039 0.000 1.253 656 W CB -0.554 28.920 29.460 0.023 0.000 1.146 656 W HN 0.227 nan 8.180 nan 0.000 0.507 657 L N 0.474 121.770 121.223 0.122 0.000 2.109 657 L HA -0.053 4.292 4.340 0.009 0.000 0.207 657 L C 2.306 179.015 176.870 -0.268 0.000 1.086 657 L CA 1.832 56.666 54.840 -0.011 0.000 0.760 657 L CB -1.441 40.700 42.059 0.137 0.000 0.910 657 L HN 0.165 nan 8.230 nan 0.000 0.437 658 L N -0.902 120.094 121.223 -0.378 0.000 2.189 658 L HA -0.222 4.123 4.340 0.009 0.000 0.214 658 L C 1.884 178.389 176.870 -0.609 0.000 1.097 658 L CA 1.889 56.426 54.840 -0.505 0.000 0.764 658 L CB -0.755 40.894 42.059 -0.684 0.000 0.900 658 L HN 0.422 nan 8.230 nan 0.000 0.436 659 H N -2.309 116.451 119.070 -0.516 0.000 2.705 659 H HA 0.201 4.762 4.556 0.009 0.000 0.269 659 H C 1.464 176.481 175.328 -0.519 0.000 0.998 659 H CA 0.690 56.434 56.048 -0.507 0.000 1.193 659 H CB 0.149 29.546 29.762 -0.609 0.000 1.485 659 H HN 0.479 nan 8.280 nan 0.000 0.521 660 N N 0.336 118.714 118.700 -0.537 0.000 2.432 660 N HA 0.098 4.844 4.740 0.009 0.000 0.174 660 N C 0.505 175.891 175.510 -0.206 0.000 1.037 660 N CA 0.887 53.621 53.050 -0.527 0.000 0.892 660 N CB 0.988 38.891 38.487 -0.973 0.000 1.049 660 N HN 0.322 nan 8.380 nan 0.000 0.442 661 G N -0.432 108.284 108.800 -0.140 0.000 2.787 661 G HA2 -0.089 3.876 3.960 0.009 0.000 0.685 661 G HA3 -0.089 3.876 3.960 0.009 0.000 0.685 661 G C -1.008 173.980 174.900 0.147 0.000 1.437 661 G CA -0.128 44.962 45.100 -0.017 0.000 0.872 661 G HN 0.420 nan 8.290 nan 0.000 0.566 662 F N 0.613 120.543 119.950 -0.034 0.000 2.690 662 F HA 0.720 5.252 4.527 0.008 0.000 0.311 662 F C -0.190 175.606 175.800 -0.007 0.000 1.111 662 F CA 0.418 58.416 58.000 -0.003 0.000 1.003 662 F CB 1.510 40.522 39.000 0.020 0.000 1.283 662 F HN 1.657 nan 8.300 nan 0.000 0.442 663 S N 2.724 117.815 115.700 -1.016 0.000 2.757 663 S HA 0.921 5.396 4.470 0.009 0.000 0.285 663 S C -1.695 172.479 174.600 -0.710 0.000 1.196 663 S CA -0.103 57.697 58.200 -0.667 0.000 0.856 663 S CB 1.826 64.844 63.200 -0.303 0.000 1.212 663 S HN 0.913 nan 8.310 nan 0.000 0.516 664 T N 0.198 114.540 114.554 -0.354 0.000 2.957 664 T HA 0.731 5.086 4.350 0.009 0.000 0.336 664 T C -0.389 174.234 174.700 -0.128 0.000 1.462 664 T CA -0.110 61.855 62.100 -0.225 0.000 1.073 664 T CB 1.358 70.129 68.868 -0.162 0.000 1.319 664 T HN 1.243 nan 8.240 nan 0.000 0.485 665 G N 0.235 108.983 108.800 -0.087 0.000 2.721 665 G HA2 0.581 4.546 3.960 0.009 0.000 0.296 665 G HA3 0.581 4.546 3.960 0.009 0.000 0.296 665 G C 0.656 175.534 174.900 -0.036 0.000 1.383 665 G CA -0.823 44.242 45.100 -0.058 0.000 0.788 665 G HN 0.693 nan 8.290 nan 0.000 0.500 666 I N 0.693 121.248 120.570 -0.025 0.000 2.163 666 I HA -0.041 4.135 4.170 0.009 0.000 0.243 666 I C 3.001 179.112 176.117 -0.010 0.000 1.085 666 I CA 1.751 63.043 61.300 -0.013 0.000 1.347 666 I CB -0.804 37.191 38.000 -0.008 0.000 1.044 666 I HN 0.589 nan 8.210 nan 0.000 0.408 667 G N 1.101 109.893 108.800 -0.014 0.000 2.663 667 G HA2 -0.355 3.610 3.960 0.009 0.000 0.222 667 G HA3 -0.355 3.610 3.960 0.009 0.000 0.222 667 G C 1.363 176.261 174.900 -0.004 0.000 1.146 667 G CA 1.666 46.761 45.100 -0.009 0.000 0.764 667 G HN 0.431 nan 8.290 nan 0.000 0.608 668 D N -0.051 120.342 120.400 -0.011 0.000 2.403 668 D HA -0.062 4.583 4.640 0.009 0.000 0.227 668 D C 2.397 178.702 176.300 0.009 0.000 0.995 668 D CA 1.510 55.509 54.000 -0.001 0.000 0.928 668 D CB -0.050 40.744 40.800 -0.012 0.000 0.887 668 D HN 0.575 nan 8.370 nan 0.000 0.529 669 T N -2.625 111.934 114.554 0.008 0.000 3.044 669 T HA 0.249 4.604 4.350 0.009 0.000 0.260 669 T C 0.831 175.540 174.700 0.014 0.000 1.019 669 T CA -0.362 61.746 62.100 0.014 0.000 0.921 669 T CB 0.245 69.123 68.868 0.017 0.000 1.053 669 T HN -0.101 nan 8.240 nan 0.000 0.533 670 I N 2.520 123.098 120.570 0.012 0.000 2.395 670 I HA 0.599 4.774 4.170 0.009 0.000 0.289 670 I C 0.508 176.634 176.117 0.016 0.000 1.023 670 I CA -0.869 60.439 61.300 0.013 0.000 1.350 670 I CB 1.205 39.211 38.000 0.010 0.000 1.409 670 I HN 0.224 nan 8.210 nan 0.000 0.507 671 A N 4.625 127.454 122.820 0.016 0.000 2.325 671 A HA 0.342 4.667 4.320 0.009 0.000 0.333 671 A C -0.371 177.225 177.584 0.019 0.000 1.155 671 A CA -0.652 51.397 52.037 0.020 0.000 0.814 671 A CB 0.716 19.729 19.000 0.021 0.000 1.206 671 A HN 0.696 nan 8.150 nan 0.000 0.482 672 D N 1.497 121.910 120.400 0.021 0.000 2.730 672 D HA 0.002 4.648 4.640 0.009 0.000 0.225 672 D C 1.658 177.969 176.300 0.018 0.000 1.107 672 D CA 1.459 55.471 54.000 0.020 0.000 0.837 672 D CB 0.757 41.571 40.800 0.023 0.000 1.171 672 D HN 0.602 nan 8.370 nan 0.000 0.498 673 G N 4.998 113.808 108.800 0.016 0.000 2.529 673 G HA2 -0.226 3.739 3.960 0.009 0.000 0.219 673 G HA3 -0.226 3.739 3.960 0.009 0.000 0.219 673 G C -0.651 174.259 174.900 0.016 0.000 1.177 673 G CA 0.829 45.937 45.100 0.015 0.000 0.773 673 G HN 0.577 nan 8.290 nan 0.000 0.573 674 P HA -0.035 nan 4.420 nan 0.000 0.223 674 P C 1.617 178.929 177.300 0.019 0.000 1.151 674 P CA 1.437 64.547 63.100 0.017 0.000 0.787 674 P CB -0.135 31.575 31.700 0.016 0.000 0.788 675 T N 0.453 115.020 114.554 0.021 0.000 2.668 675 T HA -0.075 4.280 4.350 0.009 0.000 0.262 675 T C 1.973 176.688 174.700 0.024 0.000 1.045 675 T CA 1.325 63.440 62.100 0.025 0.000 1.152 675 T CB -0.601 68.283 68.868 0.028 0.000 0.864 675 T HN -0.040 nan 8.240 nan 0.000 0.419 676 M N 0.983 120.596 119.600 0.021 0.000 2.260 676 M HA -0.086 4.399 4.480 0.009 0.000 0.261 676 M C 2.208 178.521 176.300 0.021 0.000 1.066 676 M CA 1.322 56.634 55.300 0.020 0.000 1.082 676 M CB -1.071 31.539 32.600 0.016 0.000 1.388 676 M HN 0.213 nan 8.290 nan 0.000 0.419 677 R N 0.308 120.820 120.500 0.020 0.000 2.061 677 R HA -0.164 4.181 4.340 0.009 0.000 0.230 677 R C 2.134 178.448 176.300 0.022 0.000 1.140 677 R CA 1.859 57.971 56.100 0.020 0.000 0.940 677 R CB -0.278 30.032 30.300 0.017 0.000 0.839 677 R HN 0.423 nan 8.270 nan 0.000 0.429 678 E N 0.114 120.328 120.200 0.023 0.000 2.160 678 E HA -0.203 4.153 4.350 0.009 0.000 0.195 678 E C 1.869 178.486 176.600 0.029 0.000 0.991 678 E CA 1.393 57.807 56.400 0.024 0.000 0.810 678 E CB -0.017 29.698 29.700 0.025 0.000 0.742 678 E HN 0.440 nan 8.360 nan 0.000 0.466 679 I N -0.059 120.530 120.570 0.032 0.000 2.162 679 I HA -0.216 3.959 4.170 0.009 0.000 0.238 679 I C 2.456 178.598 176.117 0.041 0.000 1.076 679 I CA 1.228 62.552 61.300 0.039 0.000 1.353 679 I CB -0.558 37.463 38.000 0.035 0.000 1.063 679 I HN 0.080 nan 8.210 nan 0.000 0.408 680 T N 0.949 115.524 114.554 0.035 0.000 2.721 680 T HA -0.254 4.101 4.350 0.009 0.000 0.268 680 T C 1.627 176.352 174.700 0.041 0.000 1.038 680 T CA 2.094 64.218 62.100 0.039 0.000 1.145 680 T CB -0.439 68.447 68.868 0.031 0.000 0.858 680 T HN 0.608 nan 8.240 nan 0.000 0.459 681 E N 0.042 120.261 120.200 0.032 0.000 2.230 681 E HA -0.037 4.318 4.350 0.009 0.000 0.192 681 E C 2.076 178.689 176.600 0.023 0.000 0.987 681 E CA 0.974 57.389 56.400 0.025 0.000 0.841 681 E CB -0.522 29.189 29.700 0.017 0.000 0.783 681 E HN 0.207 nan 8.360 nan 0.000 0.481 682 T N 1.429 116.001 114.554 0.030 0.000 2.699 682 T HA -0.119 4.236 4.350 0.009 0.000 0.268 682 T C 1.769 176.488 174.700 0.032 0.000 1.036 682 T CA 1.423 63.541 62.100 0.029 0.000 1.147 682 T CB -0.185 68.710 68.868 0.044 0.000 0.862 682 T HN 0.206 nan 8.240 nan 0.000 0.446 683 I N 0.852 121.457 120.570 0.058 0.000 2.233 683 I HA -0.115 4.060 4.170 0.009 0.000 0.243 683 I C 2.908 179.046 176.117 0.035 0.000 1.093 683 I CA 0.920 62.269 61.300 0.082 0.000 1.380 683 I CB -0.574 37.521 38.000 0.158 0.000 1.067 683 I HN 0.173 nan 8.210 nan 0.000 0.413 684 A N 1.499 124.340 122.820 0.035 0.000 2.009 684 A HA -0.300 4.026 4.320 0.009 0.000 0.222 684 A C 2.146 179.719 177.584 -0.018 0.000 1.175 684 A CA 2.509 54.556 52.037 0.016 0.000 0.651 684 A CB -0.834 18.177 19.000 0.018 0.000 0.815 684 A HN 0.723 nan 8.150 nan 0.000 0.459 685 E N -0.689 119.490 120.200 -0.035 0.000 2.122 685 E HA 0.200 4.555 4.350 0.009 0.000 0.190 685 E C 2.084 178.604 176.600 -0.133 0.000 0.977 685 E CA 0.689 57.045 56.400 -0.074 0.000 0.820 685 E CB -0.486 29.174 29.700 -0.067 0.000 0.770 685 E HN 0.464 nan 8.360 nan 0.000 0.462 686 A N 2.361 125.106 122.820 -0.124 0.000 1.883 686 A HA -0.222 4.103 4.320 0.009 0.000 0.217 686 A C 2.180 179.638 177.584 -0.211 0.000 1.186 686 A CA 1.831 53.752 52.037 -0.193 0.000 0.624 686 A CB -0.478 18.441 19.000 -0.136 0.000 0.822 686 A HN 0.124 nan 8.150 nan 0.000 0.444 687 K N -0.323 119.993 120.400 -0.141 0.000 2.063 687 K HA -0.169 4.156 4.320 0.009 0.000 0.208 687 K C 2.096 178.643 176.600 -0.089 0.000 1.048 687 K CA 1.775 57.998 56.287 -0.108 0.000 0.928 687 K CB -0.205 32.273 32.500 -0.037 0.000 0.713 687 K HN 0.460 nan 8.250 nan 0.000 0.442 688 K N 0.881 121.226 120.400 -0.091 0.000 2.097 688 K HA -0.134 4.191 4.320 0.009 0.000 0.206 688 K C 2.041 178.565 176.600 -0.126 0.000 1.049 688 K CA 1.249 57.488 56.287 -0.079 0.000 0.933 688 K CB 0.025 32.484 32.500 -0.069 0.000 0.717 688 K HN 0.098 nan 8.250 nan 0.000 0.442 689 K N 0.532 120.782 120.400 -0.250 0.000 2.002 689 K HA -0.118 4.207 4.320 0.009 0.000 0.209 689 K C 2.105 178.557 176.600 -0.246 0.000 1.048 689 K CA 1.431 57.461 56.287 -0.427 0.000 0.930 689 K CB -0.272 31.627 32.500 -1.002 0.000 0.714 689 K HN -0.076 nan 8.250 nan 0.000 0.438 690 V N 2.052 121.872 119.914 -0.157 0.000 2.282 690 V HA -0.271 3.854 4.120 0.009 0.000 0.249 690 V C 2.287 178.434 176.094 0.088 0.000 1.057 690 V CA 1.701 64.039 62.300 0.063 0.000 1.032 690 V CB -0.533 31.299 31.823 0.015 0.000 0.645 690 V HN 0.294 nan 8.190 nan 0.000 0.447 691 L N 0.630 121.876 121.223 0.038 0.000 2.012 691 L HA -0.180 4.165 4.340 0.009 0.000 0.210 691 L C 1.976 178.890 176.870 0.073 0.000 1.073 691 L CA 2.167 57.046 54.840 0.066 0.000 0.748 691 L CB -1.118 40.961 42.059 0.033 0.000 0.891 691 L HN 0.297 nan 8.230 nan 0.000 0.431 692 D N -1.029 119.392 120.400 0.035 0.000 2.264 692 D HA -0.109 4.537 4.640 0.009 0.000 0.208 692 D C 2.254 178.609 176.300 0.092 0.000 0.966 692 D CA 1.236 55.262 54.000 0.042 0.000 0.864 692 D CB 0.011 40.811 40.800 0.000 0.000 0.933 692 D HN 0.301 nan 8.370 nan 0.000 0.499 693 V N 0.361 120.363 119.914 0.146 0.000 2.273 693 V HA -0.190 3.935 4.120 0.009 0.000 0.242 693 V C 2.442 178.696 176.094 0.267 0.000 1.035 693 V CA 1.716 64.144 62.300 0.214 0.000 1.013 693 V CB -0.944 31.029 31.823 0.250 0.000 0.652 693 V HN 0.169 nan 8.190 nan 0.000 0.452 694 T N 0.162 114.925 114.554 0.348 0.000 2.620 694 T HA -0.331 4.024 4.350 0.009 0.000 0.267 694 T C 1.927 176.700 174.700 0.121 0.000 1.044 694 T CA 2.208 64.510 62.100 0.337 0.000 1.161 694 T CB -0.344 68.693 68.868 0.283 0.000 0.862 694 T HN 0.437 nan 8.240 nan 0.000 0.438 695 K N 0.520 120.978 120.400 0.097 0.000 2.097 695 K HA -0.126 4.199 4.320 0.009 0.000 0.206 695 K C 2.457 179.084 176.600 0.045 0.000 1.049 695 K CA 1.338 57.656 56.287 0.052 0.000 0.933 695 K CB -0.142 32.386 32.500 0.047 0.000 0.717 695 K HN 0.490 nan 8.250 nan 0.000 0.442 696 E N 0.758 120.999 120.200 0.069 0.000 2.012 696 E HA -0.248 4.107 4.350 0.009 0.000 0.197 696 E C 2.016 178.643 176.600 0.046 0.000 1.007 696 E CA 1.332 57.769 56.400 0.060 0.000 0.816 696 E CB -0.131 29.618 29.700 0.082 0.000 0.762 696 E HN 0.305 nan 8.360 nan 0.000 0.451 697 A N 0.921 123.781 122.820 0.067 0.000 1.927 697 A HA -0.305 4.020 4.320 0.009 0.000 0.220 697 A C 2.060 179.609 177.584 -0.057 0.000 1.185 697 A CA 2.152 54.195 52.037 0.010 0.000 0.639 697 A CB -0.807 18.190 19.000 -0.005 0.000 0.820 697 A HN 0.457 nan 8.150 nan 0.000 0.451 698 Q N -0.966 118.794 119.800 -0.066 0.000 2.437 698 Q HA 0.088 4.434 4.340 0.009 0.000 0.210 698 Q C 1.861 177.841 176.000 -0.034 0.000 0.972 698 Q CA 0.812 56.573 55.803 -0.070 0.000 0.903 698 Q CB -0.276 28.429 28.738 -0.056 0.000 0.967 698 Q HN 0.693 nan 8.270 nan 0.000 0.486 699 A N 0.898 123.710 122.820 -0.014 0.000 2.275 699 A HA 0.022 4.347 4.320 0.009 0.000 0.212 699 A C 0.743 178.324 177.584 -0.005 0.000 1.201 699 A CA 0.344 52.379 52.037 -0.004 0.000 0.843 699 A CB 0.014 19.018 19.000 0.007 0.000 0.873 699 A HN 0.437 nan 8.150 nan 0.000 0.492 700 N N -1.842 116.851 118.700 -0.012 0.000 2.828 700 N HA -0.172 4.573 4.740 0.009 0.000 0.248 700 N C 0.551 176.062 175.510 0.002 0.000 1.044 700 N CA 1.240 54.284 53.050 -0.010 0.000 0.851 700 N CB -1.931 36.549 38.487 -0.011 0.000 1.136 700 N HN 0.450 nan 8.380 nan 0.000 0.572 701 L N -0.219 121.009 121.223 0.009 0.000 2.179 701 L HA 0.075 4.420 4.340 0.009 0.000 0.208 701 L C 1.296 178.179 176.870 0.022 0.000 1.096 701 L CA 0.309 55.158 54.840 0.016 0.000 0.779 701 L CB -0.222 41.850 42.059 0.021 0.000 0.922 701 L HN 0.220 nan 8.230 nan 0.000 0.443 702 L N 0.793 122.032 121.223 0.028 0.000 2.605 702 L HA -0.090 4.255 4.340 0.009 0.000 0.296 702 L C 0.048 176.934 176.870 0.027 0.000 1.255 702 L CA 0.552 55.414 54.840 0.036 0.000 0.879 702 L CB 0.147 42.236 42.059 0.049 0.000 1.124 702 L HN 0.150 nan 8.230 nan 0.000 0.507 703 T N 3.181 117.752 114.554 0.030 0.000 2.770 703 T HA 0.463 4.818 4.350 0.009 0.000 0.297 703 T C 0.199 174.917 174.700 0.028 0.000 0.997 703 T CA -0.598 61.518 62.100 0.026 0.000 0.949 703 T CB 1.324 70.207 68.868 0.025 0.000 0.941 703 T HN 0.678 nan 8.240 nan 0.000 0.457 704 A N 4.507 127.343 122.820 0.027 0.000 2.454 704 A HA 0.361 4.687 4.320 0.009 0.000 0.260 704 A C 0.552 178.159 177.584 0.039 0.000 1.106 704 A CA -0.431 51.622 52.037 0.027 0.000 0.780 704 A CB 0.019 19.029 19.000 0.018 0.000 1.044 704 A HN 0.820 nan 8.150 nan 0.000 0.498 705 K N 1.265 121.688 120.400 0.038 0.000 2.187 705 K HA 0.141 4.466 4.320 0.009 0.000 0.247 705 K C 0.071 176.723 176.600 0.088 0.000 1.019 705 K CA -0.247 56.076 56.287 0.060 0.000 0.893 705 K CB 0.223 32.750 32.500 0.045 0.000 1.025 705 K HN 0.813 nan 8.250 nan 0.000 0.500 706 H N -0.544 118.529 119.070 0.005 0.000 2.790 706 H HA 0.151 4.712 4.556 0.009 0.000 0.358 706 H C 1.226 176.558 175.328 0.006 0.000 1.103 706 H CA 1.605 57.654 56.048 0.001 0.000 1.426 706 H CB 0.601 30.361 29.762 -0.003 0.000 1.424 706 H HN 0.740 nan 8.280 nan 0.000 0.599 707 G N 3.088 111.581 108.800 -0.511 0.000 2.189 707 G HA2 -0.291 3.674 3.960 0.009 0.000 0.267 707 G HA3 -0.291 3.674 3.960 0.009 0.000 0.267 707 G C 0.111 174.931 174.900 -0.134 0.000 0.975 707 G CA 0.670 45.580 45.100 -0.318 0.000 0.644 707 G HN 0.599 nan 8.290 nan 0.000 0.537 708 M N 0.871 120.420 119.600 -0.085 0.000 2.535 708 M HA 0.424 4.909 4.480 0.009 0.000 0.314 708 M C 0.185 176.467 176.300 -0.031 0.000 1.153 708 M CA -0.601 54.674 55.300 -0.042 0.000 0.924 708 M CB 2.154 34.743 32.600 -0.019 0.000 1.710 708 M HN 0.052 nan 8.290 nan 0.000 0.451 709 T N 2.157 116.698 114.554 -0.021 0.000 2.919 709 T HA 0.139 4.494 4.350 0.009 0.000 0.302 709 T C 1.311 176.011 174.700 -0.001 0.000 1.031 709 T CA -0.531 61.561 62.100 -0.014 0.000 1.127 709 T CB 0.533 69.395 68.868 -0.011 0.000 0.952 709 T HN 0.429 nan 8.240 nan 0.000 0.540 710 L N 1.723 122.945 121.223 -0.001 0.000 2.189 710 L HA -0.070 4.275 4.340 0.009 0.000 0.214 710 L C 2.610 179.498 176.870 0.029 0.000 1.097 710 L CA 1.587 56.434 54.840 0.012 0.000 0.764 710 L CB -0.872 41.185 42.059 -0.003 0.000 0.900 710 L HN 0.563 nan 8.230 nan 0.000 0.436 711 R N -0.316 120.187 120.500 0.004 0.000 2.062 711 R HA -0.086 4.259 4.340 0.009 0.000 0.229 711 R C 2.258 178.599 176.300 0.069 0.000 1.128 711 R CA 1.009 57.112 56.100 0.005 0.000 0.960 711 R CB -0.021 30.258 30.300 -0.036 0.000 0.855 711 R HN 0.416 nan 8.270 nan 0.000 0.432 712 E N -0.072 120.147 120.200 0.032 0.000 2.031 712 E HA -0.191 4.164 4.350 0.009 0.000 0.193 712 E C 1.972 178.582 176.600 0.015 0.000 0.994 712 E CA 1.755 58.168 56.400 0.021 0.000 0.800 712 E CB -0.110 29.590 29.700 -0.000 0.000 0.752 712 E HN 0.418 nan 8.360 nan 0.000 0.447 713 S N 1.348 117.057 115.700 0.016 0.000 2.374 713 S HA -0.244 4.231 4.470 0.009 0.000 0.227 713 S C 1.924 176.511 174.600 -0.022 0.000 1.037 713 S CA 1.216 59.411 58.200 -0.009 0.000 1.024 713 S CB -0.812 62.391 63.200 0.005 0.000 0.861 713 S HN 0.327 nan 8.310 nan 0.000 0.456 714 F N 3.170 123.069 119.950 -0.085 0.000 2.025 714 F HA -0.167 4.365 4.527 0.009 0.000 0.297 714 F C 2.560 178.298 175.800 -0.104 0.000 1.132 714 F CA 2.214 60.157 58.000 -0.095 0.000 1.191 714 F CB -0.599 38.334 39.000 -0.111 0.000 0.963 714 F HN 0.059 nan 8.300 nan 0.000 0.481 715 E N 0.466 120.609 120.200 -0.095 0.000 2.048 715 E HA -0.331 4.025 4.350 0.009 0.000 0.202 715 E C 2.015 178.456 176.600 -0.265 0.000 1.021 715 E CA 2.043 58.337 56.400 -0.177 0.000 0.825 715 E CB -1.019 28.689 29.700 0.013 0.000 0.756 715 E HN 0.576 nan 8.360 nan 0.000 0.454 716 D N 0.128 120.420 120.400 -0.181 0.000 2.149 716 D HA -0.175 4.470 4.640 0.009 0.000 0.194 716 D C 1.705 177.822 176.300 -0.305 0.000 1.001 716 D CA 1.329 55.217 54.000 -0.187 0.000 0.849 716 D CB 0.014 40.737 40.800 -0.129 0.000 0.939 716 D HN 0.067 nan 8.370 nan 0.000 0.449 717 N N -0.292 118.155 118.700 -0.422 0.000 2.006 717 N HA -0.148 4.597 4.740 0.009 0.000 0.196 717 N C 2.093 177.136 175.510 -0.778 0.000 1.057 717 N CA 1.423 54.064 53.050 -0.681 0.000 0.853 717 N CB -0.809 37.268 38.487 -0.684 0.000 1.051 717 N HN 0.117 nan 8.380 nan 0.000 0.423 718 V N 1.526 121.073 119.914 -0.613 0.000 2.313 718 V HA -0.240 3.885 4.120 0.009 0.000 0.253 718 V C 2.517 178.484 176.094 -0.212 0.000 1.070 718 V CA 1.575 63.681 62.300 -0.325 0.000 1.057 718 V CB -0.827 30.766 31.823 -0.384 0.000 0.653 718 V HN 0.102 nan 8.190 nan 0.000 0.450 719 V N -0.513 119.266 119.914 -0.226 0.000 2.407 719 V HA -0.268 3.858 4.120 0.009 0.000 0.248 719 V C 2.523 178.557 176.094 -0.099 0.000 1.055 719 V CA 2.331 64.555 62.300 -0.125 0.000 1.049 719 V CB -0.843 30.917 31.823 -0.105 0.000 0.662 719 V HN 0.447 nan 8.190 nan 0.000 0.455 720 R N -0.624 119.770 120.500 -0.177 0.000 2.062 720 R HA -0.080 4.265 4.340 0.009 0.000 0.231 720 R C 2.392 178.680 176.300 -0.020 0.000 1.136 720 R CA 1.696 57.716 56.100 -0.134 0.000 0.948 720 R CB -0.357 29.796 30.300 -0.245 0.000 0.845 720 R HN 0.492 nan 8.270 nan 0.000 0.430 721 F N 0.809 120.696 119.950 -0.104 0.000 2.091 721 F HA -0.305 4.228 4.527 0.009 0.000 0.299 721 F C 2.254 177.979 175.800 -0.125 0.000 1.103 721 F CA 0.796 58.728 58.000 -0.112 0.000 1.228 721 F CB -0.117 38.793 39.000 -0.150 0.000 0.984 721 F HN 0.088 nan 8.300 nan 0.000 0.477 722 L N -0.560 120.684 121.223 0.035 0.000 2.109 722 L HA -0.196 4.149 4.340 0.009 0.000 0.207 722 L C 2.159 179.078 176.870 0.081 0.000 1.086 722 L CA 0.697 55.477 54.840 -0.101 0.000 0.760 722 L CB -0.694 41.199 42.059 -0.277 0.000 0.910 722 L HN 0.169 nan 8.230 nan 0.000 0.437 723 N N 0.443 119.193 118.700 0.082 0.000 2.058 723 N HA -0.197 4.549 4.740 0.009 0.000 0.191 723 N C 1.711 177.292 175.510 0.118 0.000 1.037 723 N CA 1.378 54.493 53.050 0.108 0.000 0.848 723 N CB -0.176 38.351 38.487 0.066 0.000 1.021 723 N HN 0.378 nan 8.380 nan 0.000 0.422 724 E N 1.028 121.287 120.200 0.099 0.000 2.065 724 E HA -0.210 4.145 4.350 0.009 0.000 0.201 724 E C 2.020 178.686 176.600 0.110 0.000 1.016 724 E CA 1.391 57.850 56.400 0.098 0.000 0.818 724 E CB -0.184 29.576 29.700 0.099 0.000 0.749 724 E HN 0.358 nan 8.360 nan 0.000 0.453 725 A N 1.705 124.589 122.820 0.105 0.000 1.869 725 A HA -0.328 3.998 4.320 0.009 0.000 0.218 725 A C 2.132 179.812 177.584 0.160 0.000 1.203 725 A CA 2.169 54.274 52.037 0.113 0.000 0.638 725 A CB -0.776 18.281 19.000 0.095 0.000 0.831 725 A HN 0.194 nan 8.150 nan 0.000 0.450 726 R N -0.564 120.059 120.500 0.205 0.000 2.094 726 R HA -0.227 4.118 4.340 0.009 0.000 0.239 726 R C 1.646 178.049 176.300 0.172 0.000 1.137 726 R CA 2.262 58.465 56.100 0.172 0.000 0.943 726 R CB -0.588 29.806 30.300 0.156 0.000 0.850 726 R HN 0.482 nan 8.270 nan 0.000 0.433 727 D N 0.194 120.720 120.400 0.210 0.000 2.149 727 D HA -0.176 4.470 4.640 0.009 0.000 0.198 727 D C 1.869 178.346 176.300 0.295 0.000 0.990 727 D CA 1.830 56.023 54.000 0.321 0.000 0.839 727 D CB -0.016 40.914 40.800 0.216 0.000 0.948 727 D HN 0.534 nan 8.370 nan 0.000 0.460 728 K N 0.359 120.863 120.400 0.173 0.000 2.076 728 K HA 0.162 4.488 4.320 0.009 0.000 0.204 728 K C 2.195 178.880 176.600 0.142 0.000 1.051 728 K CA 1.046 57.412 56.287 0.131 0.000 0.949 728 K CB -0.196 32.352 32.500 0.079 0.000 0.726 728 K HN 0.002 nan 8.250 nan 0.000 0.443 729 A N 2.118 125.015 122.820 0.128 0.000 1.908 729 A HA -0.065 4.260 4.320 0.009 0.000 0.218 729 A C 2.514 180.166 177.584 0.112 0.000 1.181 729 A CA 1.887 53.982 52.037 0.098 0.000 0.627 729 A CB -1.446 17.601 19.000 0.078 0.000 0.818 729 A HN 0.529 nan 8.150 nan 0.000 0.445 730 G N -0.521 108.373 108.800 0.157 0.000 2.453 730 G HA2 -0.244 3.721 3.960 0.009 0.000 0.215 730 G HA3 -0.244 3.721 3.960 0.009 0.000 0.215 730 G C 1.750 176.887 174.900 0.395 0.000 1.201 730 G CA 0.978 46.158 45.100 0.134 0.000 0.784 730 G HN 0.562 nan 8.290 nan 0.000 0.545 731 R N -0.156 120.677 120.500 0.556 0.000 2.096 731 R HA 0.004 4.349 4.340 0.009 0.000 0.240 731 R C 2.691 179.110 176.300 0.198 0.000 1.139 731 R CA 1.178 57.479 56.100 0.335 0.000 0.952 731 R CB -0.653 29.692 30.300 0.075 0.000 0.854 731 R HN 0.303 nan 8.270 nan 0.000 0.436 732 L N 0.121 121.430 121.223 0.144 0.000 2.051 732 L HA -0.305 4.040 4.340 0.009 0.000 0.214 732 L C 2.625 179.548 176.870 0.089 0.000 1.076 732 L CA 1.623 56.519 54.840 0.093 0.000 0.758 732 L CB -0.611 41.492 42.059 0.075 0.000 0.890 732 L HN 0.357 nan 8.230 nan 0.000 0.433 733 A N -0.348 122.532 122.820 0.099 0.000 1.872 733 A HA -0.254 4.071 4.320 0.009 0.000 0.214 733 A C 2.196 179.833 177.584 0.088 0.000 1.187 733 A CA 1.575 53.655 52.037 0.072 0.000 0.614 733 A CB -0.554 18.469 19.000 0.039 0.000 0.826 733 A HN 0.499 nan 8.150 nan 0.000 0.442 734 E N 0.014 120.300 120.200 0.144 0.000 2.171 734 E HA -0.170 4.185 4.350 0.009 0.000 0.197 734 E C 1.634 178.297 176.600 0.104 0.000 0.997 734 E CA 1.597 58.089 56.400 0.153 0.000 0.810 734 E CB -0.179 29.681 29.700 0.266 0.000 0.738 734 E HN 0.335 nan 8.360 nan 0.000 0.467 735 V N 1.501 121.468 119.914 0.088 0.000 2.453 735 V HA -0.216 3.909 4.120 0.009 0.000 0.247 735 V C 2.160 178.285 176.094 0.052 0.000 1.048 735 V CA 1.576 63.913 62.300 0.062 0.000 1.049 735 V CB -0.665 31.188 31.823 0.050 0.000 0.672 735 V HN 0.345 nan 8.190 nan 0.000 0.457 736 N N 0.678 119.409 118.700 0.051 0.000 2.006 736 N HA -0.092 4.653 4.740 0.009 0.000 0.196 736 N C 0.842 176.378 175.510 0.044 0.000 1.057 736 N CA 0.802 53.877 53.050 0.042 0.000 0.853 736 N CB -0.631 37.880 38.487 0.039 0.000 1.051 736 N HN 0.343 nan 8.380 nan 0.000 0.423 737 L N 2.469 123.721 121.223 0.048 0.000 3.163 737 L HA -0.200 4.145 4.340 0.009 0.000 0.327 737 L C 0.388 177.287 176.870 0.049 0.000 1.030 737 L CA 0.554 55.424 54.840 0.050 0.000 0.897 737 L CB -0.698 41.397 42.059 0.059 0.000 1.389 737 L HN 0.134 nan 8.230 nan 0.000 0.530 738 K N 2.736 123.163 120.400 0.046 0.000 2.202 738 K HA 0.086 4.411 4.320 0.009 0.000 0.264 738 K C 0.645 177.277 176.600 0.053 0.000 1.010 738 K CA -0.864 55.450 56.287 0.045 0.000 0.940 738 K CB 0.780 33.305 32.500 0.041 0.000 0.983 738 K HN 0.342 nan 8.250 nan 0.000 0.475 739 D N 1.288 121.719 120.400 0.051 0.000 2.315 739 D HA -0.156 4.489 4.640 0.009 0.000 0.211 739 D C 1.436 177.779 176.300 0.071 0.000 0.977 739 D CA 1.183 55.217 54.000 0.056 0.000 0.894 739 D CB -0.179 40.649 40.800 0.047 0.000 0.910 739 D HN 0.462 nan 8.370 nan 0.000 0.490 740 L N -1.262 120.002 121.223 0.070 0.000 2.492 740 L HA 0.132 4.477 4.340 0.009 0.000 0.223 740 L C 0.761 177.685 176.870 0.090 0.000 1.132 740 L CA 0.035 54.925 54.840 0.082 0.000 0.850 740 L CB -0.800 41.298 42.059 0.065 0.000 0.966 740 L HN -0.215 nan 8.230 nan 0.000 0.454 741 N N 1.708 120.455 118.700 0.078 0.000 2.427 741 N HA -0.039 4.706 4.740 0.009 0.000 0.269 741 N C 0.928 176.505 175.510 0.111 0.000 1.235 741 N CA -0.108 52.986 53.050 0.072 0.000 0.934 741 N CB 0.342 38.864 38.487 0.060 0.000 1.121 741 N HN 0.211 nan 8.380 nan 0.000 0.480 742 N N 2.945 121.709 118.700 0.107 0.000 2.094 742 N HA -0.185 4.560 4.740 0.009 0.000 0.191 742 N C 1.391 177.035 175.510 0.224 0.000 1.023 742 N CA 1.062 54.227 53.050 0.193 0.000 0.857 742 N CB -0.239 38.188 38.487 -0.101 0.000 1.013 742 N HN 0.326 nan 8.380 nan 0.000 0.426 743 V N 1.907 121.889 119.914 0.114 0.000 2.220 743 V HA -0.236 3.889 4.120 0.009 0.000 0.246 743 V C 2.579 178.742 176.094 0.114 0.000 1.049 743 V CA 1.659 64.023 62.300 0.106 0.000 1.003 743 V CB -0.602 31.257 31.823 0.060 0.000 0.634 743 V HN 0.329 nan 8.190 nan 0.000 0.444 744 K N -0.531 119.926 120.400 0.095 0.000 2.127 744 K HA -0.284 4.041 4.320 0.009 0.000 0.208 744 K C 2.256 178.910 176.600 0.091 0.000 1.047 744 K CA 1.859 58.198 56.287 0.086 0.000 0.927 744 K CB -0.201 32.346 32.500 0.078 0.000 0.716 744 K HN 0.470 nan 8.250 nan 0.000 0.450 745 Q N -0.378 119.497 119.800 0.125 0.000 2.234 745 Q HA -0.161 4.185 4.340 0.009 0.000 0.206 745 Q C 1.978 178.015 176.000 0.062 0.000 0.980 745 Q CA 1.561 57.438 55.803 0.123 0.000 0.869 745 Q CB 0.025 28.915 28.738 0.252 0.000 0.912 745 Q HN 0.493 nan 8.270 nan 0.000 0.436 746 M N -1.088 118.578 119.600 0.109 0.000 2.357 746 M HA -0.087 4.398 4.480 0.009 0.000 0.266 746 M C 2.148 178.468 176.300 0.033 0.000 1.095 746 M CA 0.482 55.813 55.300 0.052 0.000 1.156 746 M CB 0.210 32.889 32.600 0.131 0.000 1.365 746 M HN -0.056 nan 8.290 nan 0.000 0.447 747 V N 0.620 120.568 119.914 0.056 0.000 2.392 747 V HA -0.301 3.824 4.120 0.009 0.000 0.249 747 V C 2.317 178.430 176.094 0.032 0.000 1.059 747 V CA 1.772 64.101 62.300 0.049 0.000 1.051 747 V CB -0.621 31.242 31.823 0.066 0.000 0.658 747 V HN 0.519 nan 8.190 nan 0.000 0.455 748 M N -0.643 118.972 119.600 0.025 0.000 2.254 748 M HA -0.083 4.402 4.480 0.009 0.000 0.265 748 M C 2.275 178.566 176.300 -0.014 0.000 1.066 748 M CA 1.749 57.054 55.300 0.008 0.000 1.123 748 M CB -0.343 32.262 32.600 0.008 0.000 1.388 748 M HN 0.429 nan 8.290 nan 0.000 0.425 749 A N -0.161 122.641 122.820 -0.030 0.000 1.897 749 A HA 0.192 4.517 4.320 0.009 0.000 0.215 749 A C 1.501 179.067 177.584 -0.030 0.000 1.181 749 A CA 1.357 53.363 52.037 -0.051 0.000 0.620 749 A CB -0.776 18.173 19.000 -0.085 0.000 0.821 749 A HN 0.607 nan 8.150 nan 0.000 0.443 750 G N -0.766 108.027 108.800 -0.013 0.000 2.600 750 G HA2 -0.038 3.928 3.960 0.009 0.000 0.251 750 G HA3 -0.038 3.928 3.960 0.009 0.000 0.251 750 G C 0.380 175.279 174.900 -0.001 0.000 1.142 750 G CA 0.817 45.917 45.100 0.000 0.000 0.994 750 G HN 1.515 nan 8.290 nan 0.000 0.511 751 S N -1.584 114.116 115.700 0.001 0.000 2.666 751 S HA 0.645 5.121 4.470 0.009 0.000 0.239 751 S C 0.400 175.015 174.600 0.025 0.000 1.031 751 S CA 0.564 58.767 58.200 0.005 0.000 1.015 751 S CB 0.953 64.142 63.200 -0.018 0.000 0.981 751 S HN 0.696 nan 8.310 nan 0.000 0.547 752 K N -0.046 120.373 120.400 0.031 0.000 3.042 752 K HA 0.413 4.739 4.320 0.009 0.000 0.351 752 K C -0.386 176.241 176.600 0.045 0.000 1.227 752 K CA 0.591 56.902 56.287 0.039 0.000 0.969 752 K CB 0.589 33.119 32.500 0.050 0.000 1.306 752 K HN 0.963 nan 8.250 nan 0.000 0.407 753 G N 1.017 109.841 108.800 0.040 0.000 2.663 753 G HA2 0.121 4.086 3.960 0.009 0.000 0.686 753 G HA3 0.121 4.086 3.960 0.009 0.000 0.686 753 G C -1.005 173.926 174.900 0.051 0.000 1.246 753 G CA -0.143 44.983 45.100 0.044 0.000 0.795 753 G HN 1.422 nan 8.290 nan 0.000 0.627 754 S N -0.061 115.675 115.700 0.059 0.000 2.611 754 S HA 0.673 5.149 4.470 0.009 0.000 0.268 754 S C 0.506 175.177 174.600 0.120 0.000 1.156 754 S CA 0.232 58.487 58.200 0.093 0.000 0.817 754 S CB 1.467 64.719 63.200 0.087 0.000 1.122 754 S HN 1.990 nan 8.310 nan 0.000 0.466 755 F N 1.699 121.664 119.950 0.024 0.000 2.037 755 F HA -0.230 4.302 4.527 0.009 0.000 0.296 755 F C 1.985 177.802 175.800 0.029 0.000 1.132 755 F CA 2.220 60.235 58.000 0.025 0.000 1.211 755 F CB -0.502 38.510 39.000 0.021 0.000 0.951 755 F HN 0.599 nan 8.300 nan 0.000 0.503 756 I N 1.222 121.711 120.570 -0.135 0.000 2.130 756 I HA -0.469 3.707 4.170 0.009 0.000 0.241 756 I C 2.253 178.240 176.117 -0.217 0.000 1.023 756 I CA 2.134 63.289 61.300 -0.242 0.000 1.293 756 I CB -1.442 36.547 38.000 -0.019 0.000 1.001 756 I HN 0.373 nan 8.210 nan 0.000 0.407 757 N N 0.768 119.414 118.700 -0.090 0.000 2.018 757 N HA -0.216 4.529 4.740 0.009 0.000 0.196 757 N C 1.933 177.399 175.510 -0.074 0.000 1.043 757 N CA 1.783 54.808 53.050 -0.041 0.000 0.856 757 N CB -0.537 37.948 38.487 -0.004 0.000 1.042 757 N HN 0.414 nan 8.380 nan 0.000 0.423 758 I N 1.568 122.074 120.570 -0.106 0.000 2.069 758 I HA -0.315 3.860 4.170 0.009 0.000 0.237 758 I C 2.492 178.499 176.117 -0.183 0.000 1.053 758 I CA 1.465 62.702 61.300 -0.104 0.000 1.311 758 I CB -0.579 37.378 38.000 -0.071 0.000 1.030 758 I HN 0.089 nan 8.210 nan 0.000 0.398 759 A N -0.100 122.468 122.820 -0.421 0.000 1.971 759 A HA -0.319 4.007 4.320 0.009 0.000 0.222 759 A C 2.236 179.668 177.584 -0.253 0.000 1.182 759 A CA 2.186 53.945 52.037 -0.463 0.000 0.649 759 A CB -0.695 17.732 19.000 -0.955 0.000 0.818 759 A HN 0.602 nan 8.150 nan 0.000 0.458 760 Q N -1.755 117.928 119.800 -0.196 0.000 2.165 760 Q HA 0.115 4.460 4.340 0.009 0.000 0.197 760 Q C 2.252 178.229 176.000 -0.039 0.000 0.952 760 Q CA 0.979 56.696 55.803 -0.143 0.000 0.848 760 Q CB -0.131 28.565 28.738 -0.071 0.000 0.931 760 Q HN 0.695 nan 8.270 nan 0.000 0.470 761 M N -0.080 119.561 119.600 0.068 0.000 2.213 761 M HA -0.131 4.354 4.480 0.009 0.000 0.263 761 M C 1.858 178.183 176.300 0.041 0.000 1.062 761 M CA 1.260 56.635 55.300 0.125 0.000 1.105 761 M CB 0.123 32.772 32.600 0.082 0.000 1.385 761 M HN 0.094 nan 8.290 nan 0.000 0.417 762 S N -0.432 115.261 115.700 -0.012 0.000 2.452 762 S HA 0.265 4.740 4.470 0.009 0.000 0.225 762 S C 0.978 175.561 174.600 -0.029 0.000 1.057 762 S CA 0.383 58.575 58.200 -0.014 0.000 0.949 762 S CB 0.186 63.379 63.200 -0.011 0.000 0.836 762 S HN 0.456 nan 8.310 nan 0.000 0.518 763 A N 0.562 123.349 122.820 -0.055 0.000 3.687 763 A HA 0.565 4.890 4.320 0.009 0.000 0.164 763 A C 0.356 177.884 177.584 -0.093 0.000 1.564 763 A CA -0.402 51.606 52.037 -0.049 0.000 0.896 763 A CB -0.644 18.341 19.000 -0.024 0.000 1.731 763 A HN 0.479 nan 8.150 nan 0.000 0.607 764 C N 0.218 119.467 119.300 -0.085 0.000 2.596 764 C HA 0.324 4.789 4.460 0.009 0.000 0.414 764 C C 1.881 176.729 174.990 -0.238 0.000 1.396 764 C CA 0.155 59.080 59.018 -0.155 0.000 1.698 764 C CB -1.269 26.417 27.740 -0.091 0.000 2.572 764 C HN 0.531 nan 8.230 nan 0.000 0.604 765 V N 6.544 126.240 119.914 -0.364 0.000 2.223 765 V HA 0.254 4.379 4.120 0.009 0.000 0.244 765 V C 1.621 177.501 176.094 -0.356 0.000 1.045 765 V CA 2.413 64.437 62.300 -0.460 0.000 1.000 765 V CB -1.216 30.191 31.823 -0.694 0.000 0.635 765 V HN 1.462 nan 8.190 nan 0.000 0.445 766 G N -1.082 107.468 108.800 -0.416 0.000 2.369 766 G HA2 0.196 4.161 3.960 0.009 0.000 0.307 766 G HA3 0.196 4.161 3.960 0.009 0.000 0.307 766 G C -1.303 173.471 174.900 -0.210 0.000 1.327 766 G CA -0.210 44.734 45.100 -0.260 0.000 0.963 766 G HN 0.335 nan 8.290 nan 0.000 0.590 767 Q N 0.151 120.004 119.800 0.088 0.000 2.307 767 Q HA 0.599 4.945 4.340 0.009 0.000 0.259 767 Q C 0.344 176.382 176.000 0.064 0.000 0.998 767 Q CA -0.065 55.853 55.803 0.192 0.000 0.923 767 Q CB 1.010 29.912 28.738 0.273 0.000 1.196 767 Q HN 0.527 nan 8.270 nan 0.000 0.416 768 Q N 1.555 121.386 119.800 0.051 0.000 2.394 768 Q HA 0.517 4.862 4.340 0.009 0.000 0.248 768 Q C -1.017 175.002 176.000 0.032 0.000 0.992 768 Q CA 0.285 56.117 55.803 0.048 0.000 0.888 768 Q CB 1.239 30.037 28.738 0.099 0.000 1.257 768 Q HN 0.777 nan 8.270 nan 0.000 0.462 769 S N -0.414 115.304 115.700 0.031 0.000 2.543 769 S HA 0.689 5.164 4.470 0.009 0.000 0.271 769 S C -1.409 173.199 174.600 0.014 0.000 1.148 769 S CA -0.906 57.302 58.200 0.013 0.000 0.914 769 S CB 1.041 64.249 63.200 0.013 0.000 1.096 769 S HN 0.236 nan 8.310 nan 0.000 0.471 770 V N 2.723 122.639 119.914 0.003 0.000 2.444 770 V HA 0.567 4.692 4.120 0.009 0.000 0.294 770 V C 0.188 176.282 176.094 0.001 0.000 1.022 770 V CA -0.390 61.913 62.300 0.006 0.000 0.850 770 V CB 0.897 32.726 31.823 0.010 0.000 0.992 770 V HN 1.162 nan 8.190 nan 0.000 0.426 771 E N 3.596 123.798 120.200 0.003 0.000 2.416 771 E HA -0.251 4.104 4.350 0.009 0.000 0.249 771 E C 1.230 177.830 176.600 0.000 0.000 1.124 771 E CA 0.562 56.964 56.400 0.002 0.000 0.732 771 E CB -1.095 28.606 29.700 0.002 0.000 1.286 771 E HN 1.506 nan 8.360 nan 0.000 0.394 772 G N -0.087 108.714 108.800 0.001 0.000 2.186 772 G HA2 -0.386 3.579 3.960 0.009 0.000 0.266 772 G HA3 -0.386 3.579 3.960 0.009 0.000 0.266 772 G C 0.200 175.096 174.900 -0.007 0.000 0.982 772 G CA 1.354 46.453 45.100 -0.000 0.000 0.670 772 G HN 0.307 nan 8.290 nan 0.000 0.533 773 K N -0.102 120.291 120.400 -0.012 0.000 2.395 773 K HA 0.500 4.825 4.320 0.009 0.000 0.247 773 K C 0.581 177.162 176.600 -0.032 0.000 0.973 773 K CA -1.120 55.154 56.287 -0.022 0.000 0.828 773 K CB 1.505 33.989 32.500 -0.027 0.000 1.272 773 K HN 0.358 nan 8.250 nan 0.000 0.439 774 R N 1.546 122.020 120.500 -0.043 0.000 2.543 774 R HA 0.222 4.567 4.340 0.009 0.000 0.277 774 R C 0.286 176.521 176.300 -0.108 0.000 1.074 774 R CA -0.520 55.544 56.100 -0.059 0.000 1.076 774 R CB -0.117 30.154 30.300 -0.049 0.000 0.993 774 R HN 0.521 nan 8.270 nan 0.000 0.459 775 I N 1.723 122.211 120.570 -0.138 0.000 3.248 775 I HA -0.294 3.881 4.170 0.009 0.000 0.344 775 I C 1.060 177.068 176.117 -0.182 0.000 1.190 775 I CA 0.754 61.953 61.300 -0.168 0.000 1.489 775 I CB -0.168 37.628 38.000 -0.339 0.000 1.285 775 I HN 0.817 nan 8.210 nan 0.000 0.516 776 A N 7.831 130.594 122.820 -0.096 0.000 2.249 776 A HA 0.500 4.825 4.320 0.009 0.000 0.281 776 A C -0.204 177.417 177.584 0.061 0.000 1.127 776 A CA -0.394 51.580 52.037 -0.105 0.000 0.833 776 A CB 0.312 19.299 19.000 -0.022 0.000 1.140 776 A HN 0.633 nan 8.150 nan 0.000 0.502 777 F N 0.789 120.757 119.950 0.030 0.000 2.425 777 F HA 0.271 4.803 4.527 0.009 0.000 0.354 777 F C 1.685 177.531 175.800 0.077 0.000 1.162 777 F CA -0.323 57.714 58.000 0.063 0.000 1.250 777 F CB 0.668 39.682 39.000 0.024 0.000 1.579 777 F HN 0.791 nan 8.300 nan 0.000 0.589 778 G N 2.597 111.567 108.800 0.282 0.000 2.422 778 G HA2 -0.172 3.793 3.960 0.009 0.000 0.218 778 G HA3 -0.172 3.793 3.960 0.009 0.000 0.218 778 G C 0.423 175.277 174.900 -0.077 0.000 1.140 778 G CA 0.389 45.533 45.100 0.073 0.000 0.775 778 G HN 0.291 nan 8.290 nan 0.000 0.545 779 F N -0.574 119.445 119.950 0.115 0.000 2.375 779 F HA 0.453 4.985 4.527 0.009 0.000 0.317 779 F C 0.580 176.383 175.800 0.004 0.000 1.124 779 F CA -1.015 57.012 58.000 0.045 0.000 1.050 779 F CB 1.221 40.234 39.000 0.022 0.000 1.314 779 F HN -0.274 nan 8.300 nan 0.000 0.511 780 V N 2.324 122.335 119.914 0.162 0.000 2.425 780 V HA -0.001 4.124 4.120 0.009 0.000 0.276 780 V C -0.149 175.885 176.094 -0.098 0.000 1.017 780 V CA 0.123 62.450 62.300 0.044 0.000 1.062 780 V CB -0.410 31.435 31.823 0.037 0.000 0.997 780 V HN 0.804 nan 8.190 nan 0.000 0.476 781 D N 2.566 122.845 120.400 -0.201 0.000 3.070 781 D HA -0.203 4.442 4.640 0.009 0.000 0.220 781 D C 0.576 176.033 176.300 -1.405 0.000 1.176 781 D CA 1.792 55.423 54.000 -0.615 0.000 0.924 781 D CB -0.452 40.178 40.800 -0.283 0.000 1.124 781 D HN 0.923 nan 8.370 nan 0.000 0.411 782 R N -2.781 117.142 120.500 -0.962 0.000 2.799 782 R HA 0.674 5.019 4.340 0.009 0.000 0.270 782 R C 0.586 176.909 176.300 0.039 0.000 1.010 782 R CA -0.839 54.849 56.100 -0.686 0.000 0.916 782 R CB 0.639 30.805 30.300 -0.224 0.000 1.228 782 R HN -0.281 nan 8.270 nan 0.000 0.469 783 T N 0.235 114.997 114.554 0.348 0.000 2.894 783 T HA 0.231 4.586 4.350 0.009 0.000 0.258 783 T C 0.477 175.529 174.700 0.587 0.000 1.043 783 T CA 0.758 63.202 62.100 0.574 0.000 1.141 783 T CB -0.127 69.081 68.868 0.568 0.000 0.873 783 T HN 0.306 nan 8.240 nan 0.000 0.449 784 L N -0.176 121.280 121.223 0.388 0.000 2.491 784 L HA 0.360 4.705 4.340 0.009 0.000 0.254 784 L C -2.074 174.555 176.870 -0.401 0.000 1.048 784 L CA -2.137 52.673 54.840 -0.050 0.000 0.855 784 L CB 2.204 44.325 42.059 0.103 0.000 1.466 784 L HN -0.274 nan 8.230 nan 0.000 0.409 785 P HA -0.024 nan 4.420 nan 0.000 0.249 785 P C 0.441 177.386 177.300 -0.590 0.000 1.241 785 P CA 0.865 63.545 63.100 -0.700 0.000 0.781 785 P CB -0.005 31.226 31.700 -0.781 0.000 1.088 786 H N -1.766 117.050 119.070 -0.424 0.000 2.586 786 H HA 0.264 4.825 4.556 0.009 0.000 0.273 786 H C 0.364 175.419 175.328 -0.456 0.000 0.997 786 H CA 0.026 55.798 56.048 -0.460 0.000 1.177 786 H CB 0.126 29.529 29.762 -0.599 0.000 1.471 786 H HN 0.197 nan 8.280 nan 0.000 0.538 787 F N 0.198 120.153 119.950 0.009 0.000 2.598 787 F HA 0.340 4.872 4.527 0.009 0.000 0.327 787 F C 0.601 176.368 175.800 -0.056 0.000 1.057 787 F CA -1.139 56.866 58.000 0.008 0.000 0.957 787 F CB 1.804 40.832 39.000 0.046 0.000 1.278 787 F HN -0.217 nan 8.300 nan 0.000 0.484 788 S N 0.788 116.597 115.700 0.182 0.000 2.610 788 S HA 0.277 4.752 4.470 0.009 0.000 0.273 788 S C -0.289 174.296 174.600 -0.026 0.000 1.274 788 S CA -0.878 57.350 58.200 0.047 0.000 1.023 788 S CB 0.889 64.116 63.200 0.044 0.000 0.962 788 S HN 0.371 nan 8.310 nan 0.000 0.523 789 K N 1.540 121.895 120.400 -0.075 0.000 2.455 789 K HA -0.025 4.300 4.320 0.009 0.000 0.269 789 K C -0.580 175.932 176.600 -0.146 0.000 0.972 789 K CA 0.258 56.448 56.287 -0.163 0.000 0.938 789 K CB 0.054 32.487 32.500 -0.112 0.000 0.931 789 K HN 0.556 nan 8.250 nan 0.000 0.507 790 D N 2.079 122.338 120.400 -0.236 0.000 3.666 790 D HA -0.177 4.468 4.640 0.009 0.000 0.220 790 D C -0.881 175.417 176.300 -0.004 0.000 1.105 790 D CA 1.200 55.166 54.000 -0.056 0.000 1.111 790 D CB -0.500 40.352 40.800 0.087 0.000 0.790 790 D HN 0.544 nan 8.370 nan 0.000 0.389 791 D N 1.553 121.910 120.400 -0.073 0.000 2.445 791 D HA 0.067 4.712 4.640 0.009 0.000 0.236 791 D C -0.278 176.014 176.300 -0.014 0.000 1.315 791 D CA -0.486 53.516 54.000 0.002 0.000 0.924 791 D CB -0.202 40.551 40.800 -0.078 0.000 1.447 791 D HN 0.166 nan 8.370 nan 0.000 0.532 792 Y N 0.756 121.137 120.300 0.135 0.000 2.471 792 Y HA 0.100 4.655 4.550 0.009 0.000 0.286 792 Y C 1.647 177.611 175.900 0.107 0.000 1.188 792 Y CA -0.238 57.943 58.100 0.135 0.000 1.286 792 Y CB -0.164 38.400 38.460 0.173 0.000 1.072 792 Y HN 0.220 nan 8.280 nan 0.000 0.517 793 S N 1.563 117.362 115.700 0.165 0.000 2.566 793 S HA -0.003 4.473 4.470 0.009 0.000 0.280 793 S C -1.200 173.431 174.600 0.052 0.000 1.343 793 S CA -1.036 57.225 58.200 0.103 0.000 1.036 793 S CB 1.096 64.332 63.200 0.059 0.000 0.866 793 S HN 0.103 nan 8.310 nan 0.000 0.526 794 P HA -0.197 nan 4.420 nan 0.000 0.214 794 P C 1.007 178.406 177.300 0.165 0.000 1.163 794 P CA 1.769 64.900 63.100 0.051 0.000 0.889 794 P CB -0.115 31.524 31.700 -0.101 0.000 0.790 795 E N 0.559 120.873 120.200 0.189 0.000 2.065 795 E HA -0.189 4.167 4.350 0.009 0.000 0.201 795 E C 2.403 179.133 176.600 0.218 0.000 1.016 795 E CA 1.866 58.428 56.400 0.270 0.000 0.818 795 E CB -1.411 28.447 29.700 0.263 0.000 0.749 795 E HN 0.246 nan 8.360 nan 0.000 0.453 796 S N 0.034 115.624 115.700 -0.184 0.000 2.383 796 S HA -0.167 4.308 4.470 0.009 0.000 0.229 796 S C 1.337 175.771 174.600 -0.276 0.000 1.030 796 S CA 1.232 59.015 58.200 -0.695 0.000 1.002 796 S CB -0.039 62.684 63.200 -0.795 0.000 0.829 796 S HN 0.120 nan 8.310 nan 0.000 0.467 797 K N 0.052 120.340 120.400 -0.187 0.000 2.570 797 K HA 0.302 4.627 4.320 0.009 0.000 0.210 797 K C 0.651 177.041 176.600 -0.350 0.000 1.048 797 K CA 0.410 56.532 56.287 -0.275 0.000 1.167 797 K CB 0.380 32.777 32.500 -0.172 0.000 0.892 797 K HN 0.486 nan 8.250 nan 0.000 0.480 798 G N 1.527 110.088 108.800 -0.399 0.000 2.138 798 G HA2 -0.243 3.722 3.960 0.009 0.000 0.193 798 G HA3 -0.243 3.722 3.960 0.009 0.000 0.193 798 G C -0.466 174.537 174.900 0.172 0.000 0.998 798 G CA -0.672 44.318 45.100 -0.182 0.000 0.668 798 G HN 0.334 nan 8.290 nan 0.000 0.516 799 F N 2.429 122.432 119.950 0.087 0.000 2.368 799 F HA 0.589 5.122 4.527 0.009 0.000 0.362 799 F C 0.481 176.348 175.800 0.112 0.000 1.137 799 F CA -1.073 56.971 58.000 0.074 0.000 1.161 799 F CB 1.138 40.169 39.000 0.051 0.000 1.265 799 F HN -0.015 nan 8.300 nan 0.000 0.530 800 V N 7.922 127.602 119.914 -0.391 0.000 2.352 800 V HA -0.002 4.124 4.120 0.009 0.000 0.253 800 V C 1.278 176.930 176.094 -0.737 0.000 1.083 800 V CA 0.201 62.274 62.300 -0.380 0.000 0.993 800 V CB 0.488 32.137 31.823 -0.291 0.000 1.111 800 V HN 0.895 nan 8.190 nan 0.000 0.490 801 E N 4.627 124.481 120.200 -0.577 0.000 2.072 801 E HA -0.114 4.241 4.350 0.009 0.000 0.191 801 E C 1.097 177.547 176.600 -0.249 0.000 0.985 801 E CA 0.569 56.708 56.400 -0.434 0.000 0.801 801 E CB 0.249 29.933 29.700 -0.027 0.000 0.750 801 E HN 0.749 nan 8.360 nan 0.000 0.452 802 N N 0.804 119.395 118.700 -0.182 0.000 2.263 802 N HA -0.013 4.732 4.740 0.009 0.000 0.239 802 N C -0.134 175.254 175.510 -0.203 0.000 1.317 802 N CA 0.687 53.657 53.050 -0.135 0.000 0.909 802 N CB 0.933 39.373 38.487 -0.078 0.000 1.171 802 N HN 0.146 nan 8.380 nan 0.000 0.492 803 S N -1.188 114.423 115.700 -0.149 0.000 2.664 803 S HA 0.333 4.809 4.470 0.009 0.000 0.304 803 S C 0.820 175.349 174.600 -0.117 0.000 1.099 803 S CA -0.718 57.377 58.200 -0.175 0.000 1.003 803 S CB 0.597 63.750 63.200 -0.078 0.000 1.092 803 S HN 0.538 nan 8.310 nan 0.000 0.525 804 Y N -0.089 120.192 120.300 -0.031 0.000 2.403 804 Y HA -0.083 4.473 4.550 0.009 0.000 0.291 804 Y C 2.105 178.007 175.900 0.003 0.000 1.143 804 Y CA 0.628 58.728 58.100 0.000 0.000 1.257 804 Y CB -0.085 38.376 38.460 0.002 0.000 0.984 804 Y HN 0.588 nan 8.280 nan 0.000 0.550 805 L N 0.615 121.917 121.223 0.131 0.000 2.007 805 L HA -0.133 4.213 4.340 0.009 0.000 0.205 805 L C 2.199 179.098 176.870 0.049 0.000 1.073 805 L CA 1.695 56.579 54.840 0.074 0.000 0.744 805 L CB -0.739 41.346 42.059 0.043 0.000 0.898 805 L HN -0.021 nan 8.230 nan 0.000 0.435 806 R N 0.077 120.593 120.500 0.027 0.000 2.105 806 R HA 0.141 4.486 4.340 0.009 0.000 0.239 806 R C 0.531 176.845 176.300 0.023 0.000 1.135 806 R CA 0.773 56.882 56.100 0.015 0.000 0.967 806 R CB -0.572 29.726 30.300 -0.003 0.000 0.861 806 R HN 0.644 nan 8.270 nan 0.000 0.442 807 G N -0.292 108.531 108.800 0.039 0.000 2.784 807 G HA2 -0.130 3.835 3.960 0.009 0.000 0.686 807 G HA3 -0.130 3.835 3.960 0.009 0.000 0.686 807 G C -1.076 173.851 174.900 0.045 0.000 1.156 807 G CA -1.090 44.046 45.100 0.061 0.000 0.757 807 G HN 0.003 nan 8.290 nan 0.000 0.642 808 L N 1.132 122.411 121.223 0.092 0.000 2.456 808 L HA 0.767 5.112 4.340 0.009 0.000 0.257 808 L C 1.657 178.567 176.870 0.066 0.000 1.162 808 L CA 0.340 55.235 54.840 0.091 0.000 0.808 808 L CB 1.282 43.461 42.059 0.201 0.000 1.136 808 L HN 1.058 nan 8.230 nan 0.000 0.466 809 T N -2.045 112.538 114.554 0.049 0.000 2.928 809 T HA 0.434 4.789 4.350 0.009 0.000 0.284 809 T C -2.009 172.695 174.700 0.007 0.000 1.008 809 T CA -1.856 60.247 62.100 0.006 0.000 1.057 809 T CB 1.544 70.408 68.868 -0.006 0.000 1.018 809 T HN 0.358 nan 8.240 nan 0.000 0.493 810 P HA -0.265 nan 4.420 nan 0.000 0.216 810 P C 1.561 178.820 177.300 -0.069 0.000 1.151 810 P CA 1.612 64.674 63.100 -0.062 0.000 0.953 810 P CB -0.035 31.561 31.700 -0.174 0.000 0.789 811 Q N -0.292 119.342 119.800 -0.275 0.000 2.029 811 Q HA -0.234 4.111 4.340 0.009 0.000 0.209 811 Q C 2.167 177.787 176.000 -0.633 0.000 0.999 811 Q CA 1.994 57.446 55.803 -0.584 0.000 0.857 811 Q CB -1.041 27.422 28.738 -0.458 0.000 0.926 811 Q HN 0.425 nan 8.270 nan 0.000 0.415 812 E N -0.288 119.796 120.200 -0.193 0.000 2.065 812 E HA -0.248 4.107 4.350 0.009 0.000 0.201 812 E C 1.735 178.399 176.600 0.107 0.000 1.016 812 E CA 1.268 57.685 56.400 0.028 0.000 0.818 812 E CB -0.361 29.385 29.700 0.076 0.000 0.749 812 E HN 0.255 nan 8.360 nan 0.000 0.453 813 F N 1.012 120.956 119.950 -0.010 0.000 2.008 813 F HA -0.321 4.211 4.527 0.009 0.000 0.297 813 F C 2.157 177.984 175.800 0.045 0.000 1.156 813 F CA 1.914 59.940 58.000 0.042 0.000 1.191 813 F CB -0.824 38.184 39.000 0.014 0.000 0.955 813 F HN -0.016 nan 8.300 nan 0.000 0.497 814 F N 0.308 120.246 119.950 -0.019 0.000 2.063 814 F HA -0.339 4.194 4.527 0.009 0.000 0.298 814 F C 2.244 178.069 175.800 0.041 0.000 1.105 814 F CA 2.166 60.123 58.000 -0.071 0.000 1.215 814 F CB -0.917 38.047 39.000 -0.060 0.000 0.972 814 F HN 0.095 nan 8.300 nan 0.000 0.483 815 F N -1.301 118.790 119.950 0.235 0.000 2.010 815 F HA -0.345 4.188 4.527 0.009 0.000 0.296 815 F C 2.684 178.509 175.800 0.042 0.000 1.146 815 F CA 1.173 59.272 58.000 0.164 0.000 1.181 815 F CB -1.178 37.941 39.000 0.198 0.000 0.965 815 F HN 0.037 nan 8.300 nan 0.000 0.480 816 H N 0.839 119.997 119.070 0.148 0.000 2.472 816 H HA -0.219 4.342 4.556 0.009 0.000 0.296 816 H C 1.795 177.046 175.328 -0.129 0.000 1.120 816 H CA 1.251 57.297 56.048 -0.004 0.000 1.250 816 H CB -0.447 29.296 29.762 -0.031 0.000 1.366 816 H HN 0.253 nan 8.280 nan 0.000 0.524 817 A N 0.196 122.818 122.820 -0.329 0.000 1.897 817 A HA -0.093 4.233 4.320 0.009 0.000 0.215 817 A C 2.694 180.085 177.584 -0.321 0.000 1.181 817 A CA 1.398 53.119 52.037 -0.526 0.000 0.620 817 A CB -0.600 17.942 19.000 -0.762 0.000 0.821 817 A HN 0.479 nan 8.150 nan 0.000 0.443 818 M N -0.443 119.025 119.600 -0.219 0.000 2.065 818 M HA -0.149 4.337 4.480 0.009 0.000 0.259 818 M C 2.326 178.600 176.300 -0.044 0.000 1.069 818 M CA 1.694 56.933 55.300 -0.102 0.000 1.110 818 M CB -0.698 31.925 32.600 0.039 0.000 1.328 818 M HN 0.512 nan 8.290 nan 0.000 0.405 819 G N -0.372 108.434 108.800 0.010 0.000 2.421 819 G HA2 -0.123 3.842 3.960 0.009 0.000 0.216 819 G HA3 -0.123 3.842 3.960 0.009 0.000 0.216 819 G C 1.491 176.393 174.900 0.003 0.000 1.171 819 G CA 0.952 46.072 45.100 0.034 0.000 0.775 819 G HN 0.570 nan 8.290 nan 0.000 0.543 820 G N 0.894 109.670 108.800 -0.039 0.000 2.529 820 G HA2 -0.345 3.621 3.960 0.009 0.000 0.219 820 G HA3 -0.345 3.621 3.960 0.009 0.000 0.219 820 G C 1.847 176.698 174.900 -0.082 0.000 1.177 820 G CA 1.508 46.552 45.100 -0.093 0.000 0.773 820 G HN 0.501 nan 8.290 nan 0.000 0.573 821 R N 0.764 121.201 120.500 -0.105 0.000 2.082 821 R HA -0.091 4.255 4.340 0.009 0.000 0.234 821 R C 2.488 178.762 176.300 -0.045 0.000 1.136 821 R CA 2.148 58.200 56.100 -0.080 0.000 0.935 821 R CB -0.836 29.410 30.300 -0.090 0.000 0.842 821 R HN 0.529 nan 8.270 nan 0.000 0.430 822 E N -1.042 119.139 120.200 -0.031 0.000 2.164 822 E HA -0.238 4.117 4.350 0.009 0.000 0.206 822 E C 1.724 178.317 176.600 -0.013 0.000 1.032 822 E CA 1.899 58.290 56.400 -0.014 0.000 0.832 822 E CB -0.631 29.068 29.700 -0.003 0.000 0.742 822 E HN 0.545 nan 8.360 nan 0.000 0.460 823 G N 1.123 109.915 108.800 -0.013 0.000 2.484 823 G HA2 -0.265 3.700 3.960 0.009 0.000 0.215 823 G HA3 -0.265 3.700 3.960 0.009 0.000 0.215 823 G C 1.583 176.473 174.900 -0.017 0.000 1.219 823 G CA 0.970 46.064 45.100 -0.009 0.000 0.791 823 G HN 0.275 nan 8.290 nan 0.000 0.550 824 L N 0.250 121.457 121.223 -0.027 0.000 2.137 824 L HA -0.150 4.195 4.340 0.009 0.000 0.213 824 L C 2.876 179.732 176.870 -0.025 0.000 1.085 824 L CA 0.853 55.675 54.840 -0.029 0.000 0.760 824 L CB -0.417 41.618 42.059 -0.040 0.000 0.893 824 L HN 0.301 nan 8.230 nan 0.000 0.434 825 I N 0.371 120.927 120.570 -0.023 0.000 2.130 825 I HA -0.276 3.899 4.170 0.009 0.000 0.234 825 I C 2.078 178.185 176.117 -0.016 0.000 1.067 825 I CA 1.607 62.895 61.300 -0.019 0.000 1.339 825 I CB -0.650 37.340 38.000 -0.018 0.000 1.073 825 I HN 0.329 nan 8.210 nan 0.000 0.405 826 D N 0.071 120.463 120.400 -0.013 0.000 2.354 826 D HA -0.160 4.485 4.640 0.009 0.000 0.216 826 D C 1.744 178.037 176.300 -0.012 0.000 0.970 826 D CA 1.155 55.148 54.000 -0.011 0.000 0.905 826 D CB -0.763 40.033 40.800 -0.007 0.000 0.903 826 D HN 0.230 nan 8.370 nan 0.000 0.508 827 T N 0.010 114.555 114.554 -0.015 0.000 2.701 827 T HA -0.082 4.273 4.350 0.009 0.000 0.263 827 T C 2.153 176.842 174.700 -0.018 0.000 1.040 827 T CA 1.715 63.805 62.100 -0.017 0.000 1.147 827 T CB -0.543 68.313 68.868 -0.019 0.000 0.865 827 T HN 0.394 nan 8.240 nan 0.000 0.426 828 A N 0.632 123.441 122.820 -0.019 0.000 2.019 828 A HA -0.022 4.303 4.320 0.009 0.000 0.219 828 A C 2.508 180.081 177.584 -0.019 0.000 1.164 828 A CA 1.205 53.230 52.037 -0.019 0.000 0.644 828 A CB -0.799 18.189 19.000 -0.020 0.000 0.805 828 A HN 0.365 nan 8.150 nan 0.000 0.449 829 V N -0.433 119.471 119.914 -0.017 0.000 2.273 829 V HA -0.131 3.994 4.120 0.009 0.000 0.242 829 V C 2.260 178.346 176.094 -0.013 0.000 1.035 829 V CA 2.048 64.337 62.300 -0.017 0.000 1.013 829 V CB -0.562 31.252 31.823 -0.015 0.000 0.652 829 V HN 0.405 nan 8.190 nan 0.000 0.452 830 K N 0.222 120.615 120.400 -0.011 0.000 2.520 830 K HA -0.146 4.179 4.320 0.009 0.000 0.198 830 K C 1.878 178.472 176.600 -0.010 0.000 1.045 830 K CA 1.489 57.770 56.287 -0.009 0.000 0.934 830 K CB -0.548 31.945 32.500 -0.011 0.000 0.766 830 K HN 0.540 nan 8.250 nan 0.000 0.483 831 T N -1.160 113.387 114.554 -0.012 0.000 2.925 831 T HA 0.111 4.466 4.350 0.009 0.000 0.245 831 T C 1.747 176.445 174.700 -0.004 0.000 1.025 831 T CA 0.780 62.872 62.100 -0.014 0.000 1.149 831 T CB -0.081 68.776 68.868 -0.018 0.000 0.866 831 T HN 0.255 nan 8.240 nan 0.000 0.437 832 A N 1.605 124.422 122.820 -0.006 0.000 1.855 832 A HA -0.075 4.250 4.320 0.009 0.000 0.215 832 A C 2.134 179.731 177.584 0.021 0.000 1.191 832 A CA 1.674 53.710 52.037 -0.002 0.000 0.613 832 A CB -0.716 18.268 19.000 -0.026 0.000 0.829 832 A HN 0.512 nan 8.150 nan 0.000 0.442 833 E N -1.011 119.194 120.200 0.009 0.000 2.114 833 E HA -0.188 4.168 4.350 0.009 0.000 0.199 833 E C 2.077 178.730 176.600 0.088 0.000 1.008 833 E CA 1.876 58.299 56.400 0.038 0.000 0.810 833 E CB -0.167 29.545 29.700 0.020 0.000 0.739 833 E HN 0.613 nan 8.360 nan 0.000 0.456 834 T N -0.626 113.957 114.554 0.047 0.000 2.777 834 T HA -0.095 4.260 4.350 0.009 0.000 0.266 834 T C 1.734 176.462 174.700 0.047 0.000 1.040 834 T CA 1.028 63.149 62.100 0.035 0.000 1.141 834 T CB -0.494 68.373 68.868 -0.001 0.000 0.868 834 T HN 0.383 nan 8.240 nan 0.000 0.444 835 G N 0.028 108.858 108.800 0.049 0.000 2.469 835 G HA2 -0.281 3.684 3.960 0.009 0.000 0.220 835 G HA3 -0.281 3.684 3.960 0.009 0.000 0.220 835 G C 1.370 176.334 174.900 0.106 0.000 1.136 835 G CA 0.865 45.996 45.100 0.051 0.000 0.759 835 G HN 0.499 nan 8.290 nan 0.000 0.562 836 Y N 1.254 121.549 120.300 -0.008 0.000 2.133 836 Y HA -0.036 4.519 4.550 0.009 0.000 0.287 836 Y C 2.704 178.623 175.900 0.031 0.000 1.134 836 Y CA 1.189 59.294 58.100 0.008 0.000 1.133 836 Y CB -0.288 38.175 38.460 0.006 0.000 0.987 836 Y HN 0.177 nan 8.280 nan 0.000 0.502 837 I N 0.062 120.695 120.570 0.106 0.000 2.194 837 I HA -0.368 3.808 4.170 0.009 0.000 0.246 837 I C 2.520 178.608 176.117 -0.049 0.000 1.093 837 I CA 1.632 62.934 61.300 0.004 0.000 1.355 837 I CB -0.561 37.460 38.000 0.035 0.000 1.046 837 I HN 0.313 nan 8.210 nan 0.000 0.413 838 Q N 1.119 120.901 119.800 -0.030 0.000 2.234 838 Q HA -0.251 4.094 4.340 0.009 0.000 0.206 838 Q C 2.181 178.145 176.000 -0.059 0.000 0.980 838 Q CA 1.720 57.493 55.803 -0.050 0.000 0.869 838 Q CB -0.159 28.554 28.738 -0.042 0.000 0.912 838 Q HN 0.515 nan 8.270 nan 0.000 0.436 839 R N -0.425 120.040 120.500 -0.059 0.000 2.064 839 R HA 0.025 4.371 4.340 0.009 0.000 0.221 839 R C 2.311 178.591 176.300 -0.034 0.000 1.136 839 R CA 0.587 56.663 56.100 -0.040 0.000 0.980 839 R CB 0.010 30.296 30.300 -0.024 0.000 0.876 839 R HN 0.081 nan 8.270 nan 0.000 0.437 840 R N 0.519 120.979 120.500 -0.065 0.000 2.117 840 R HA -0.145 4.200 4.340 0.009 0.000 0.243 840 R C 2.335 178.500 176.300 -0.225 0.000 1.143 840 R CA 1.684 57.763 56.100 -0.034 0.000 0.968 840 R CB -0.459 29.809 30.300 -0.054 0.000 0.863 840 R HN 0.277 nan 8.270 nan 0.000 0.444 841 L N -0.141 120.976 121.223 -0.177 0.000 2.027 841 L HA -0.160 4.185 4.340 0.009 0.000 0.206 841 L C 2.374 179.104 176.870 -0.233 0.000 1.074 841 L CA 1.004 55.721 54.840 -0.205 0.000 0.745 841 L CB -0.434 41.545 42.059 -0.133 0.000 0.898 841 L HN 0.020 nan 8.230 nan 0.000 0.433 842 V N -0.329 119.488 119.914 -0.163 0.000 2.407 842 V HA -0.250 3.875 4.120 0.009 0.000 0.248 842 V C 2.584 178.573 176.094 -0.175 0.000 1.055 842 V CA 1.492 63.709 62.300 -0.138 0.000 1.049 842 V CB -0.532 31.243 31.823 -0.079 0.000 0.662 842 V HN 0.362 nan 8.190 nan 0.000 0.455 843 K N 0.292 120.568 120.400 -0.208 0.000 2.031 843 K HA 0.065 4.390 4.320 0.009 0.000 0.205 843 K C 2.360 178.645 176.600 -0.526 0.000 1.049 843 K CA 1.432 57.581 56.287 -0.231 0.000 0.939 843 K CB -0.890 31.553 32.500 -0.094 0.000 0.717 843 K HN 0.426 nan 8.250 nan 0.000 0.438 844 A N 1.656 123.859 122.820 -1.028 0.000 1.917 844 A HA -0.161 4.164 4.320 0.009 0.000 0.219 844 A C 2.157 179.390 177.584 -0.585 0.000 1.182 844 A CA 1.672 52.903 52.037 -1.343 0.000 0.633 844 A CB -0.588 17.673 19.000 -1.231 0.000 0.819 844 A HN 0.254 nan 8.150 nan 0.000 0.448 845 L N -2.386 118.610 121.223 -0.379 0.000 2.515 845 L HA 0.089 4.434 4.340 0.009 0.000 0.223 845 L C 1.989 178.758 176.870 -0.168 0.000 1.079 845 L CA 0.739 55.444 54.840 -0.225 0.000 0.857 845 L CB -0.780 41.176 42.059 -0.172 0.000 1.050 845 L HN 0.510 nan 8.230 nan 0.000 0.476 846 E N 1.949 122.047 120.200 -0.171 0.000 2.755 846 E HA -0.376 3.979 4.350 0.009 0.000 0.241 846 E C 1.116 177.659 176.600 -0.095 0.000 0.977 846 E CA 2.678 59.007 56.400 -0.117 0.000 1.398 846 E CB -0.251 29.388 29.700 -0.102 0.000 1.343 846 E HN 0.713 nan 8.360 nan 0.000 0.482 847 D N -0.003 120.346 120.400 -0.084 0.000 2.338 847 D HA -0.039 4.607 4.640 0.009 0.000 0.239 847 D C 0.500 176.762 176.300 -0.064 0.000 1.095 847 D CA 0.230 54.192 54.000 -0.063 0.000 0.888 847 D CB -0.383 40.393 40.800 -0.040 0.000 0.899 847 D HN 0.242 nan 8.370 nan 0.000 0.525 848 I N 1.280 121.798 120.570 -0.086 0.000 2.395 848 I HA 0.272 4.448 4.170 0.009 0.000 0.289 848 I C 0.461 176.502 176.117 -0.126 0.000 1.023 848 I CA -0.478 60.771 61.300 -0.085 0.000 1.350 848 I CB 1.101 39.045 38.000 -0.093 0.000 1.409 848 I HN 0.013 nan 8.210 nan 0.000 0.507 849 M N 5.614 125.134 119.600 -0.133 0.000 2.569 849 M HA 0.473 4.958 4.480 0.009 0.000 0.279 849 M C -1.772 174.389 176.300 -0.232 0.000 1.253 849 M CA -0.800 54.366 55.300 -0.225 0.000 0.867 849 M CB 2.270 34.713 32.600 -0.261 0.000 1.727 849 M HN 0.119 nan 8.290 nan 0.000 0.467 850 V N 4.431 124.178 119.914 -0.278 0.000 2.397 850 V HA 0.172 4.297 4.120 0.009 0.000 0.262 850 V C 0.572 176.539 176.094 -0.212 0.000 1.047 850 V CA 0.006 62.187 62.300 -0.199 0.000 1.003 850 V CB -0.777 30.917 31.823 -0.215 0.000 1.037 850 V HN 0.748 nan 8.190 nan 0.000 0.480 851 H N 3.439 122.456 119.070 -0.088 0.000 2.598 851 H HA 0.093 4.655 4.556 0.009 0.000 0.371 851 H C 0.471 175.760 175.328 -0.065 0.000 1.468 851 H CA 0.200 56.219 56.048 -0.049 0.000 1.454 851 H CB 0.800 30.576 29.762 0.022 0.000 1.579 851 H HN 0.574 nan 8.280 nan 0.000 0.611 852 Y N 0.317 120.720 120.300 0.171 0.000 2.680 852 Y HA -0.123 4.432 4.550 0.009 0.000 0.303 852 Y C 1.005 176.954 175.900 0.082 0.000 1.166 852 Y CA 0.686 58.846 58.100 0.100 0.000 1.344 852 Y CB 0.062 38.579 38.460 0.094 0.000 1.002 852 Y HN 0.525 nan 8.280 nan 0.000 0.537 853 D N -2.773 117.751 120.400 0.206 0.000 2.559 853 D HA 0.036 4.681 4.640 0.009 0.000 0.234 853 D C 0.239 176.608 176.300 0.116 0.000 1.226 853 D CA -0.184 53.903 54.000 0.144 0.000 0.830 853 D CB -0.682 40.190 40.800 0.120 0.000 1.028 853 D HN 0.025 nan 8.370 nan 0.000 0.492 854 N N -0.875 117.883 118.700 0.096 0.000 2.778 854 N HA -0.186 4.559 4.740 0.009 0.000 0.249 854 N C -0.365 175.205 175.510 0.100 0.000 1.069 854 N CA 1.213 54.312 53.050 0.082 0.000 0.831 854 N CB -1.114 37.425 38.487 0.086 0.000 1.142 854 N HN 0.391 nan 8.380 nan 0.000 0.573 855 T N -0.359 114.255 114.554 0.100 0.000 2.847 855 T HA 0.399 4.754 4.350 0.009 0.000 0.279 855 T C 0.084 174.820 174.700 0.060 0.000 0.984 855 T CA 0.319 62.462 62.100 0.072 0.000 0.988 855 T CB 1.005 69.899 68.868 0.043 0.000 1.040 855 T HN 0.064 nan 8.240 nan 0.000 0.528 856 T N 3.791 118.347 114.554 0.004 0.000 3.009 856 T HA 0.473 4.829 4.350 0.009 0.000 0.346 856 T C -0.536 174.148 174.700 -0.026 0.000 1.092 856 T CA -0.614 61.486 62.100 0.001 0.000 1.080 856 T CB 0.335 69.203 68.868 -0.001 0.000 1.037 856 T HN 0.458 nan 8.240 nan 0.000 0.487 857 R N 2.241 122.778 120.500 0.061 0.000 2.854 857 R HA 0.561 4.906 4.340 0.009 0.000 0.271 857 R C 0.158 176.492 176.300 0.058 0.000 0.996 857 R CA -1.131 54.972 56.100 0.004 0.000 0.961 857 R CB 1.774 32.019 30.300 -0.093 0.000 1.182 857 R HN 0.659 nan 8.270 nan 0.000 0.479 858 N N -0.811 117.891 118.700 0.003 0.000 2.448 858 N HA 0.072 4.817 4.740 0.009 0.000 0.274 858 N C 0.694 176.223 175.510 0.032 0.000 1.239 858 N CA -0.404 52.652 53.050 0.010 0.000 0.982 858 N CB 0.889 39.362 38.487 -0.024 0.000 1.199 858 N HN 0.566 nan 8.380 nan 0.000 0.576 859 S N 0.665 116.380 115.700 0.025 0.000 2.390 859 S HA -0.286 4.189 4.470 0.009 0.000 0.234 859 S C 1.926 176.530 174.600 0.007 0.000 1.063 859 S CA 1.422 59.638 58.200 0.027 0.000 1.108 859 S CB -1.248 61.958 63.200 0.010 0.000 0.975 859 S HN 0.561 nan 8.310 nan 0.000 0.442 860 L N 1.338 122.557 121.223 -0.007 0.000 2.129 860 L HA -0.032 4.313 4.340 0.009 0.000 0.212 860 L C 2.473 179.321 176.870 -0.036 0.000 1.087 860 L CA 1.234 56.063 54.840 -0.017 0.000 0.757 860 L CB -1.094 40.955 42.059 -0.017 0.000 0.896 860 L HN 0.774 nan 8.230 nan 0.000 0.434 861 G N -1.833 106.934 108.800 -0.055 0.000 2.218 861 G HA2 -0.228 3.737 3.960 0.009 0.000 0.216 861 G HA3 -0.228 3.737 3.960 0.009 0.000 0.216 861 G C 0.043 174.883 174.900 -0.100 0.000 0.994 861 G CA -0.181 44.853 45.100 -0.109 0.000 0.637 861 G HN 0.312 nan 8.290 nan 0.000 0.505 862 N N 1.493 120.153 118.700 -0.067 0.000 2.417 862 N HA 0.263 5.008 4.740 0.009 0.000 0.272 862 N C 0.757 176.203 175.510 -0.105 0.000 1.304 862 N CA 0.312 53.322 53.050 -0.067 0.000 0.906 862 N CB 1.154 39.615 38.487 -0.043 0.000 1.135 862 N HN 0.272 nan 8.380 nan 0.000 0.483 863 V N 3.588 123.409 119.914 -0.154 0.000 2.720 863 V HA -0.078 4.048 4.120 0.009 0.000 0.307 863 V C 1.719 177.654 176.094 -0.266 0.000 1.071 863 V CA 0.679 62.816 62.300 -0.273 0.000 1.199 863 V CB 0.178 31.706 31.823 -0.492 0.000 0.900 863 V HN 0.597 nan 8.190 nan 0.000 0.494 864 I N 2.476 122.902 120.570 -0.240 0.000 3.718 864 I HA 0.180 4.356 4.170 0.009 0.000 0.297 864 I C 0.551 176.567 176.117 -0.168 0.000 1.220 864 I CA 0.355 61.560 61.300 -0.159 0.000 1.381 864 I CB 0.340 38.287 38.000 -0.088 0.000 1.238 864 I HN 0.579 nan 8.210 nan 0.000 0.448 865 Q N -0.102 119.576 119.800 -0.202 0.000 2.289 865 Q HA 0.320 4.665 4.340 0.009 0.000 0.270 865 Q C -0.593 175.301 176.000 -0.176 0.000 1.038 865 Q CA -0.481 55.258 55.803 -0.106 0.000 0.812 865 Q CB 2.340 31.104 28.738 0.042 0.000 1.300 865 Q HN 0.051 nan 8.270 nan 0.000 0.427 866 F N 0.979 120.963 119.950 0.055 0.000 2.502 866 F HA 0.131 4.663 4.527 0.009 0.000 0.298 866 F C 0.704 176.543 175.800 0.065 0.000 1.111 866 F CA 0.875 58.906 58.000 0.052 0.000 1.445 866 F CB 0.504 39.527 39.000 0.039 0.000 1.081 866 F HN 0.339 nan 8.300 nan 0.000 0.558 867 I N -1.509 119.185 120.570 0.207 0.000 2.649 867 I HA 0.084 4.259 4.170 0.009 0.000 0.289 867 I C -1.074 175.142 176.117 0.165 0.000 1.222 867 I CA -1.274 60.126 61.300 0.167 0.000 1.046 867 I CB 1.496 39.583 38.000 0.144 0.000 1.272 867 I HN -0.293 nan 8.210 nan 0.000 0.425 868 Y N 5.504 125.822 120.300 0.030 0.000 2.712 868 Y HA 0.311 4.866 4.550 0.009 0.000 0.333 868 Y C 1.391 177.303 175.900 0.020 0.000 1.225 868 Y CA 0.902 59.005 58.100 0.005 0.000 1.499 868 Y CB 0.681 39.130 38.460 -0.019 0.000 1.288 868 Y HN 0.848 nan 8.280 nan 0.000 0.575 869 G N 4.454 112.999 108.800 -0.424 0.000 2.269 869 G HA2 -0.384 3.582 3.960 0.009 0.000 0.277 869 G HA3 -0.384 3.582 3.960 0.009 0.000 0.277 869 G C 0.525 175.374 174.900 -0.084 0.000 1.008 869 G CA 0.822 45.667 45.100 -0.426 0.000 0.774 869 G HN 0.995 nan 8.290 nan 0.000 0.511 870 E N -2.179 118.024 120.200 0.005 0.000 3.680 870 E HA -0.333 4.022 4.350 0.009 0.000 0.309 870 E C 0.811 177.436 176.600 0.040 0.000 0.793 870 E CA 1.596 58.035 56.400 0.065 0.000 1.083 870 E CB -0.962 28.804 29.700 0.110 0.000 1.548 870 E HN 0.894 nan 8.360 nan 0.000 0.456 871 D N -1.411 118.987 120.400 -0.004 0.000 2.497 871 D HA 0.193 4.838 4.640 0.009 0.000 0.256 871 D C 0.982 177.280 176.300 -0.003 0.000 1.273 871 D CA 0.381 54.388 54.000 0.013 0.000 0.812 871 D CB -0.161 40.638 40.800 -0.003 0.000 1.190 871 D HN 0.219 nan 8.370 nan 0.000 0.524 872 G N 0.956 109.754 108.800 -0.004 0.000 2.379 872 G HA2 -0.305 3.660 3.960 0.009 0.000 0.297 872 G HA3 -0.305 3.660 3.960 0.009 0.000 0.297 872 G C -0.122 174.773 174.900 -0.009 0.000 1.004 872 G CA 0.850 45.978 45.100 0.047 0.000 0.921 872 G HN 0.391 nan 8.290 nan 0.000 0.511 873 M N 0.692 120.239 119.600 -0.087 0.000 2.364 873 M HA 0.419 4.904 4.480 0.009 0.000 0.334 873 M C -0.127 176.145 176.300 -0.047 0.000 1.107 873 M CA -1.644 53.582 55.300 -0.124 0.000 0.988 873 M CB 1.480 33.971 32.600 -0.182 0.000 1.673 873 M HN 0.202 nan 8.290 nan 0.000 0.441 874 D N 3.126 123.552 120.400 0.043 0.000 2.348 874 D HA 0.216 4.861 4.640 0.009 0.000 0.253 874 D C 0.647 176.991 176.300 0.075 0.000 1.161 874 D CA 0.281 54.361 54.000 0.133 0.000 0.876 874 D CB 1.443 42.371 40.800 0.214 0.000 1.160 874 D HN 0.804 nan 8.370 nan 0.000 0.459 875 A N 4.338 127.188 122.820 0.049 0.000 1.971 875 A HA -0.223 4.102 4.320 0.009 0.000 0.222 875 A C 2.115 179.712 177.584 0.022 0.000 1.182 875 A CA 2.334 54.388 52.037 0.028 0.000 0.649 875 A CB -0.575 18.455 19.000 0.050 0.000 0.818 875 A HN 0.714 nan 8.150 nan 0.000 0.458 876 A N -1.611 121.176 122.820 -0.055 0.000 1.930 876 A HA -0.108 4.217 4.320 0.009 0.000 0.217 876 A C 1.581 179.034 177.584 -0.219 0.000 1.175 876 A CA 1.095 53.021 52.037 -0.185 0.000 0.627 876 A CB -0.670 18.126 19.000 -0.340 0.000 0.815 876 A HN 0.650 nan 8.150 nan 0.000 0.443 877 H N -0.540 118.531 119.070 0.002 0.000 2.842 877 H HA 0.401 4.962 4.556 0.009 0.000 0.312 877 H C -0.453 174.870 175.328 -0.008 0.000 1.137 877 H CA 0.230 56.274 56.048 -0.006 0.000 1.176 877 H CB -0.472 29.257 29.762 -0.056 0.000 1.361 877 H HN 0.359 nan 8.280 nan 0.000 0.557 878 I N 0.695 121.325 120.570 0.101 0.000 2.892 878 I HA 0.282 4.457 4.170 0.009 0.000 0.306 878 I C -0.453 175.732 176.117 0.113 0.000 1.078 878 I CA -0.788 60.563 61.300 0.086 0.000 1.032 878 I CB 2.700 40.747 38.000 0.078 0.000 1.229 878 I HN 0.091 nan 8.210 nan 0.000 0.435 879 E N 2.687 122.924 120.200 0.062 0.000 2.375 879 E HA 0.260 4.615 4.350 0.009 0.000 0.280 879 E C -1.465 175.129 176.600 -0.009 0.000 0.972 879 E CA -1.105 55.295 56.400 0.001 0.000 0.782 879 E CB 2.242 31.867 29.700 -0.124 0.000 1.229 879 E HN 0.325 nan 8.360 nan 0.000 0.439 880 K N 2.454 122.822 120.400 -0.053 0.000 2.361 880 K HA 0.023 4.348 4.320 0.009 0.000 0.283 880 K C -0.528 176.025 176.600 -0.077 0.000 1.078 880 K CA 0.559 56.792 56.287 -0.090 0.000 1.041 880 K CB 0.302 32.702 32.500 -0.167 0.000 0.932 880 K HN 0.334 nan 8.250 nan 0.000 0.462 881 Q N 1.274 121.055 119.800 -0.032 0.000 2.297 881 Q HA 0.270 4.616 4.340 0.009 0.000 0.268 881 Q C -0.645 175.339 176.000 -0.027 0.000 1.045 881 Q CA -0.991 54.806 55.803 -0.012 0.000 0.861 881 Q CB 2.006 30.774 28.738 0.050 0.000 1.344 881 Q HN 0.618 nan 8.270 nan 0.000 0.452 882 S N 0.981 116.668 115.700 -0.022 0.000 2.442 882 S HA 0.436 4.911 4.470 0.009 0.000 0.297 882 S C -0.299 174.312 174.600 0.019 0.000 1.131 882 S CA -0.776 57.408 58.200 -0.028 0.000 1.092 882 S CB 0.236 63.412 63.200 -0.040 0.000 0.998 882 S HN 0.511 nan 8.310 nan 0.000 0.478 883 L N 3.864 125.105 121.223 0.029 0.000 2.401 883 L HA 0.258 4.603 4.340 0.009 0.000 0.283 883 L C 0.580 177.486 176.870 0.060 0.000 1.151 883 L CA -0.479 54.391 54.840 0.051 0.000 0.942 883 L CB -0.076 42.011 42.059 0.048 0.000 1.283 883 L HN 0.719 nan 8.230 nan 0.000 0.442 884 D N 0.810 121.261 120.400 0.084 0.000 2.411 884 D HA -0.108 4.538 4.640 0.009 0.000 0.226 884 D C 1.349 177.738 176.300 0.149 0.000 0.988 884 D CA 1.062 55.137 54.000 0.125 0.000 0.938 884 D CB 0.228 41.132 40.800 0.174 0.000 0.883 884 D HN 0.526 nan 8.370 nan 0.000 0.525 885 T N -0.191 114.424 114.554 0.102 0.000 3.069 885 T HA 0.195 4.550 4.350 0.009 0.000 0.252 885 T C 2.017 176.799 174.700 0.138 0.000 1.053 885 T CA -0.249 61.917 62.100 0.111 0.000 0.964 885 T CB 0.761 69.657 68.868 0.047 0.000 1.005 885 T HN 0.165 nan 8.240 nan 0.000 0.532 886 I N 0.715 121.348 120.570 0.104 0.000 2.429 886 I HA 0.177 4.352 4.170 0.009 0.000 0.247 886 I C 1.867 178.073 176.117 0.147 0.000 1.099 886 I CA 0.361 61.722 61.300 0.101 0.000 1.422 886 I CB -0.299 37.740 38.000 0.066 0.000 1.112 886 I HN 0.230 nan 8.210 nan 0.000 0.430 887 G N -0.170 108.703 108.800 0.123 0.000 2.525 887 G HA2 0.487 4.453 3.960 0.009 0.000 0.287 887 G HA3 0.487 4.453 3.960 0.009 0.000 0.287 887 G C -0.121 174.880 174.900 0.167 0.000 1.350 887 G CA 0.293 45.484 45.100 0.152 0.000 1.039 887 G HN 0.524 nan 8.290 nan 0.000 0.513 888 G N -1.469 107.421 108.800 0.149 0.000 2.722 888 G HA2 0.273 4.238 3.960 0.009 0.000 0.686 888 G HA3 0.273 4.238 3.960 0.009 0.000 0.686 888 G C 0.240 175.213 174.900 0.122 0.000 1.282 888 G CA 0.187 45.365 45.100 0.130 0.000 0.817 888 G HN 1.911 nan 8.290 nan 0.000 0.605 889 S N 0.507 116.263 115.700 0.093 0.000 2.572 889 S HA 0.251 4.726 4.470 0.009 0.000 0.267 889 S C 1.100 175.752 174.600 0.086 0.000 1.361 889 S CA 0.527 58.767 58.200 0.066 0.000 1.009 889 S CB 1.138 64.368 63.200 0.051 0.000 0.888 889 S HN 0.627 nan 8.310 nan 0.000 0.553 890 D N 1.184 121.611 120.400 0.046 0.000 2.178 890 D HA -0.078 4.567 4.640 0.009 0.000 0.201 890 D C 2.160 178.538 176.300 0.130 0.000 0.980 890 D CA 1.540 55.572 54.000 0.052 0.000 0.842 890 D CB -0.506 40.294 40.800 -0.002 0.000 0.948 890 D HN 0.706 nan 8.370 nan 0.000 0.472 891 A N 1.185 124.063 122.820 0.096 0.000 1.898 891 A HA -0.037 4.288 4.320 0.009 0.000 0.216 891 A C 2.334 179.986 177.584 0.114 0.000 1.181 891 A CA 1.948 54.040 52.037 0.092 0.000 0.620 891 A CB -0.517 18.517 19.000 0.056 0.000 0.819 891 A HN 0.235 nan 8.150 nan 0.000 0.442 892 A N -1.413 121.480 122.820 0.121 0.000 1.969 892 A HA -0.001 4.325 4.320 0.009 0.000 0.218 892 A C 2.010 179.704 177.584 0.183 0.000 1.169 892 A CA 1.372 53.479 52.037 0.118 0.000 0.635 892 A CB -0.685 18.375 19.000 0.101 0.000 0.810 892 A HN 0.708 nan 8.150 nan 0.000 0.445 893 F N 0.602 120.604 119.950 0.086 0.000 2.216 893 F HA -0.116 4.416 4.527 0.009 0.000 0.300 893 F C 2.069 177.983 175.800 0.190 0.000 1.085 893 F CA 1.988 60.056 58.000 0.113 0.000 1.326 893 F CB 0.064 39.066 39.000 0.003 0.000 1.027 893 F HN 0.420 nan 8.300 nan 0.000 0.497 894 E N 0.295 120.699 120.200 0.340 0.000 2.042 894 E HA -0.141 4.214 4.350 0.009 0.000 0.189 894 E C 2.049 178.705 176.600 0.094 0.000 0.974 894 E CA 0.524 57.094 56.400 0.283 0.000 0.806 894 E CB -0.086 29.754 29.700 0.233 0.000 0.769 894 E HN 0.322 nan 8.360 nan 0.000 0.451 895 K N 0.345 120.768 120.400 0.038 0.000 2.362 895 K HA -0.191 4.134 4.320 0.009 0.000 0.202 895 K C 2.201 178.774 176.600 -0.044 0.000 1.045 895 K CA 0.965 57.234 56.287 -0.029 0.000 0.936 895 K CB -0.031 32.463 32.500 -0.009 0.000 0.747 895 K HN 0.057 nan 8.250 nan 0.000 0.467 896 R N -0.610 119.874 120.500 -0.026 0.000 2.087 896 R HA -0.014 4.331 4.340 0.009 0.000 0.213 896 R C 1.333 177.461 176.300 -0.286 0.000 1.137 896 R CA 0.725 56.730 56.100 -0.157 0.000 1.022 896 R CB 0.164 30.376 30.300 -0.145 0.000 0.920 896 R HN 0.101 nan 8.270 nan 0.000 0.451 897 Y N -0.120 120.049 120.300 -0.219 0.000 2.507 897 Y HA 0.276 4.831 4.550 0.009 0.000 0.263 897 Y C 0.556 176.502 175.900 0.078 0.000 1.093 897 Y CA -0.281 57.723 58.100 -0.161 0.000 1.285 897 Y CB 0.069 38.281 38.460 -0.414 0.000 1.115 897 Y HN -0.128 nan 8.280 nan 0.000 0.533 898 R N 1.380 122.069 120.500 0.315 0.000 2.442 898 R HA 0.354 4.699 4.340 0.009 0.000 0.291 898 R C -1.434 174.852 176.300 -0.023 0.000 1.069 898 R CA -0.097 56.065 56.100 0.103 0.000 1.022 898 R CB 0.144 30.357 30.300 -0.145 0.000 0.976 898 R HN -0.083 nan 8.270 nan 0.000 0.443 899 V N 4.870 124.755 119.914 -0.047 0.000 2.447 899 V HA 0.214 4.339 4.120 0.009 0.000 0.292 899 V C -0.980 175.083 176.094 -0.052 0.000 1.021 899 V CA -0.735 61.546 62.300 -0.031 0.000 0.850 899 V CB 1.603 33.420 31.823 -0.011 0.000 1.005 899 V HN 0.780 nan 8.190 nan 0.000 0.426 900 D N 4.063 124.446 120.400 -0.029 0.000 2.483 900 D HA 0.379 5.025 4.640 0.009 0.000 0.281 900 D C 1.223 177.518 176.300 -0.009 0.000 1.174 900 D CA -0.333 53.649 54.000 -0.029 0.000 0.938 900 D CB 0.767 41.553 40.800 -0.023 0.000 1.002 900 D HN 0.415 nan 8.370 nan 0.000 0.501 901 L N 1.309 122.522 121.223 -0.016 0.000 2.283 901 L HA -0.160 4.185 4.340 0.009 0.000 0.217 901 L C 1.250 178.110 176.870 -0.016 0.000 1.104 901 L CA 0.893 55.724 54.840 -0.015 0.000 0.772 901 L CB -0.430 41.619 42.059 -0.017 0.000 0.899 901 L HN 0.460 nan 8.230 nan 0.000 0.439 902 L N 0.497 121.710 121.223 -0.017 0.000 2.934 902 L HA 0.199 4.544 4.340 0.009 0.000 0.233 902 L C -0.276 176.584 176.870 -0.017 0.000 1.358 902 L CA -0.025 54.805 54.840 -0.018 0.000 1.233 902 L CB -0.635 41.413 42.059 -0.018 0.000 1.594 902 L HN 0.221 nan 8.230 nan 0.000 0.439 903 N N -1.169 117.519 118.700 -0.020 0.000 3.547 903 N HA 0.011 4.757 4.740 0.009 0.000 0.203 903 N C 0.646 176.123 175.510 -0.054 0.000 1.410 903 N CA -0.011 53.020 53.050 -0.032 0.000 0.811 903 N CB 0.797 39.281 38.487 -0.005 0.000 1.665 903 N HN -0.075 nan 8.380 nan 0.000 0.686 904 T N 0.307 114.824 114.554 -0.062 0.000 2.751 904 T HA -0.175 4.180 4.350 0.009 0.000 0.268 904 T C 0.799 175.439 174.700 -0.100 0.000 1.045 904 T CA 1.653 63.713 62.100 -0.066 0.000 1.142 904 T CB -0.097 68.736 68.868 -0.060 0.000 0.851 904 T HN 0.498 nan 8.240 nan 0.000 0.474 905 D N -0.463 119.826 120.400 -0.186 0.000 2.305 905 D HA 0.003 4.648 4.640 0.009 0.000 0.206 905 D C 0.728 176.838 176.300 -0.318 0.000 0.974 905 D CA 0.766 54.585 54.000 -0.302 0.000 0.871 905 D CB 0.093 40.612 40.800 -0.469 0.000 0.947 905 D HN 0.446 nan 8.370 nan 0.000 0.516 906 H N -0.177 118.876 119.070 -0.029 0.000 2.528 906 H HA 0.325 4.886 4.556 0.009 0.000 0.256 906 H C -0.120 175.184 175.328 -0.040 0.000 1.204 906 H CA -0.134 55.893 56.048 -0.034 0.000 0.955 906 H CB 0.027 29.765 29.762 -0.040 0.000 1.817 906 H HN -0.156 nan 8.280 nan 0.000 0.579 907 T N 0.582 115.166 114.554 0.050 0.000 2.949 907 T HA 0.402 4.757 4.350 0.009 0.000 0.287 907 T C 0.829 175.532 174.700 0.005 0.000 1.034 907 T CA -0.855 61.254 62.100 0.015 0.000 1.018 907 T CB 1.790 70.655 68.868 -0.006 0.000 1.135 907 T HN 0.156 nan 8.240 nan 0.000 0.532 908 L N 2.636 123.854 121.223 -0.010 0.000 2.515 908 L HA 0.141 4.486 4.340 0.009 0.000 0.281 908 L C 1.034 177.894 176.870 -0.017 0.000 1.131 908 L CA -0.431 54.398 54.840 -0.019 0.000 0.905 908 L CB -0.300 41.741 42.059 -0.029 0.000 1.246 908 L HN 0.673 nan 8.230 nan 0.000 0.463 909 D N 6.736 127.127 120.400 -0.014 0.000 2.622 909 D HA -0.082 4.564 4.640 0.009 0.000 0.227 909 D C -1.393 174.898 176.300 -0.014 0.000 1.159 909 D CA -0.700 53.292 54.000 -0.013 0.000 0.865 909 D CB 1.248 42.042 40.800 -0.010 0.000 1.207 909 D HN 0.347 nan 8.370 nan 0.000 0.492 910 P HA -0.062 nan 4.420 nan 0.000 0.242 910 P C 0.906 178.200 177.300 -0.010 0.000 1.197 910 P CA 0.410 63.502 63.100 -0.013 0.000 0.765 910 P CB 0.112 31.805 31.700 -0.012 0.000 0.936 911 S N -0.800 114.896 115.700 -0.007 0.000 2.439 911 S HA 0.013 4.488 4.470 0.009 0.000 0.224 911 S C 1.931 176.531 174.600 -0.000 0.000 1.029 911 S CA 0.117 58.316 58.200 -0.001 0.000 0.946 911 S CB -1.212 61.990 63.200 0.003 0.000 0.797 911 S HN 0.052 nan 8.310 nan 0.000 0.504 912 L N 0.439 121.659 121.223 -0.005 0.000 1.982 912 L HA 0.202 4.548 4.340 0.009 0.000 0.206 912 L C 1.359 178.219 176.870 -0.016 0.000 1.078 912 L CA 0.443 55.279 54.840 -0.008 0.000 0.749 912 L CB -0.780 41.267 42.059 -0.019 0.000 0.894 912 L HN 0.307 nan 8.230 nan 0.000 0.436 913 L N 0.308 121.516 121.223 -0.025 0.000 2.453 913 L HA 0.028 4.373 4.340 0.009 0.000 0.261 913 L C 1.185 178.040 176.870 -0.025 0.000 1.179 913 L CA 0.594 55.414 54.840 -0.032 0.000 0.813 913 L CB 0.680 42.716 42.059 -0.039 0.000 1.110 913 L HN 0.179 nan 8.230 nan 0.000 0.466 914 E N -0.043 120.140 120.200 -0.028 0.000 2.060 914 E HA -0.078 4.277 4.350 0.009 0.000 0.189 914 E C 1.030 177.617 176.600 -0.021 0.000 0.974 914 E CA 0.942 57.329 56.400 -0.021 0.000 0.808 914 E CB 0.163 29.850 29.700 -0.022 0.000 0.768 914 E HN 0.804 nan 8.360 nan 0.000 0.453 915 S N -0.195 115.489 115.700 -0.026 0.000 2.768 915 S HA 0.182 4.657 4.470 0.009 0.000 0.246 915 S C 1.424 176.009 174.600 -0.024 0.000 1.006 915 S CA -0.037 58.148 58.200 -0.024 0.000 1.075 915 S CB 0.427 63.611 63.200 -0.028 0.000 0.786 915 S HN 0.347 nan 8.310 nan 0.000 0.468 916 G N 3.214 112.000 108.800 -0.022 0.000 2.514 916 G HA2 -0.292 3.673 3.960 0.009 0.000 0.217 916 G HA3 -0.292 3.673 3.960 0.009 0.000 0.217 916 G C 1.722 176.610 174.900 -0.019 0.000 1.198 916 G CA 1.293 46.380 45.100 -0.021 0.000 0.780 916 G HN 0.768 nan 8.290 nan 0.000 0.565 917 S N 1.351 117.041 115.700 -0.016 0.000 2.371 917 S HA -0.097 4.378 4.470 0.009 0.000 0.224 917 S C 1.863 176.454 174.600 -0.016 0.000 1.029 917 S CA 1.485 59.676 58.200 -0.015 0.000 0.978 917 S CB -0.415 62.777 63.200 -0.013 0.000 0.833 917 S HN 0.714 nan 8.310 nan 0.000 0.466 918 E N 0.795 120.985 120.200 -0.016 0.000 2.322 918 E HA 0.263 4.618 4.350 0.009 0.000 0.195 918 E C 0.974 177.564 176.600 -0.017 0.000 1.198 918 E CA 0.115 56.506 56.400 -0.015 0.000 1.132 918 E CB -0.397 29.295 29.700 -0.014 0.000 1.213 918 E HN 0.649 nan 8.360 nan 0.000 0.450 919 I N -0.408 120.151 120.570 -0.018 0.000 4.398 919 I HA 0.051 4.226 4.170 0.009 0.000 0.310 919 I C 0.858 176.964 176.117 -0.018 0.000 1.232 919 I CA -0.550 60.738 61.300 -0.020 0.000 1.312 919 I CB 0.511 38.497 38.000 -0.023 0.000 1.347 919 I HN 0.234 nan 8.210 nan 0.000 0.454 920 L N 3.327 124.539 121.223 -0.018 0.000 2.894 920 L HA -0.096 4.249 4.340 0.009 0.000 0.286 920 L C 1.014 177.874 176.870 -0.017 0.000 1.077 920 L CA 1.381 56.210 54.840 -0.018 0.000 1.070 920 L CB -0.431 41.617 42.059 -0.018 0.000 1.470 920 L HN 0.609 nan 8.230 nan 0.000 0.452 921 G N 2.550 111.340 108.800 -0.017 0.000 2.436 921 G HA2 -0.253 3.713 3.960 0.009 0.000 0.204 921 G HA3 -0.253 3.713 3.960 0.009 0.000 0.204 921 G C 0.271 175.162 174.900 -0.015 0.000 1.026 921 G CA -0.005 45.085 45.100 -0.016 0.000 0.658 921 G HN 0.645 nan 8.290 nan 0.000 0.499 922 D N 1.794 122.185 120.400 -0.015 0.000 2.854 922 D HA 0.068 4.714 4.640 0.009 0.000 0.243 922 D C 1.918 178.210 176.300 -0.013 0.000 1.243 922 D CA 0.532 54.524 54.000 -0.014 0.000 0.883 922 D CB 0.136 40.927 40.800 -0.015 0.000 1.145 922 D HN 0.389 nan 8.370 nan 0.000 0.555 923 L N 4.055 125.271 121.223 -0.011 0.000 2.156 923 L HA -0.127 4.218 4.340 0.009 0.000 0.208 923 L C 2.482 179.347 176.870 -0.009 0.000 1.095 923 L CA 0.769 55.603 54.840 -0.010 0.000 0.770 923 L CB -0.211 41.842 42.059 -0.009 0.000 0.914 923 L HN 0.284 nan 8.230 nan 0.000 0.439 924 K N 0.205 120.600 120.400 -0.009 0.000 2.211 924 K HA -0.081 4.244 4.320 0.009 0.000 0.203 924 K C 2.039 178.634 176.600 -0.008 0.000 1.050 924 K CA 0.973 57.256 56.287 -0.008 0.000 0.945 924 K CB -0.022 32.473 32.500 -0.008 0.000 0.732 924 K HN 0.294 nan 8.250 nan 0.000 0.451 925 L N 0.396 121.613 121.223 -0.011 0.000 2.162 925 L HA -0.104 4.241 4.340 0.009 0.000 0.205 925 L C 2.463 179.328 176.870 -0.009 0.000 1.086 925 L CA 0.636 55.469 54.840 -0.012 0.000 0.778 925 L CB -0.280 41.769 42.059 -0.016 0.000 0.928 925 L HN 0.148 nan 8.230 nan 0.000 0.446 926 Q N 0.056 119.850 119.800 -0.010 0.000 2.170 926 Q HA -0.145 4.201 4.340 0.009 0.000 0.203 926 Q C 2.340 178.339 176.000 -0.002 0.000 0.976 926 Q CA 1.213 57.011 55.803 -0.010 0.000 0.858 926 Q CB -0.320 28.410 28.738 -0.014 0.000 0.907 926 Q HN 0.353 nan 8.270 nan 0.000 0.433 927 V N 0.850 120.764 119.914 -0.001 0.000 2.469 927 V HA -0.250 3.875 4.120 0.009 0.000 0.251 927 V C 2.284 178.385 176.094 0.012 0.000 1.064 927 V CA 1.299 63.602 62.300 0.005 0.000 1.066 927 V CB -0.472 31.352 31.823 0.002 0.000 0.667 927 V HN 0.258 nan 8.190 nan 0.000 0.461 928 L N -1.317 119.912 121.223 0.010 0.000 2.062 928 L HA -0.041 4.304 4.340 0.009 0.000 0.202 928 L C 2.430 179.319 176.870 0.031 0.000 1.079 928 L CA 0.884 55.733 54.840 0.016 0.000 0.755 928 L CB -0.611 41.451 42.059 0.006 0.000 0.913 928 L HN 0.208 nan 8.230 nan 0.000 0.445 929 L N 0.093 121.332 121.223 0.027 0.000 2.064 929 L HA -0.317 4.028 4.340 0.009 0.000 0.216 929 L C 2.283 179.203 176.870 0.083 0.000 1.077 929 L CA 1.949 56.817 54.840 0.047 0.000 0.766 929 L CB -1.385 40.685 42.059 0.019 0.000 0.890 929 L HN 0.368 nan 8.230 nan 0.000 0.435 930 D N -0.155 120.276 120.400 0.053 0.000 2.092 930 D HA -0.174 4.471 4.640 0.009 0.000 0.193 930 D C 2.215 178.579 176.300 0.107 0.000 0.994 930 D CA 1.092 55.134 54.000 0.071 0.000 0.828 930 D CB -0.029 40.790 40.800 0.032 0.000 0.963 930 D HN 0.382 nan 8.370 nan 0.000 0.450 931 E N 0.234 120.475 120.200 0.068 0.000 2.085 931 E HA -0.209 4.146 4.350 0.009 0.000 0.194 931 E C 1.993 178.637 176.600 0.073 0.000 0.994 931 E CA 0.936 57.371 56.400 0.059 0.000 0.801 931 E CB -0.000 29.719 29.700 0.033 0.000 0.743 931 E HN 0.423 nan 8.360 nan 0.000 0.453 932 E N 0.149 120.400 120.200 0.085 0.000 2.047 932 E HA -0.237 4.119 4.350 0.009 0.000 0.191 932 E C 1.979 178.653 176.600 0.124 0.000 0.987 932 E CA 0.922 57.375 56.400 0.088 0.000 0.799 932 E CB -0.269 29.485 29.700 0.089 0.000 0.752 932 E HN 0.319 nan 8.360 nan 0.000 0.449 933 Y N 1.234 121.560 120.300 0.044 0.000 2.333 933 Y HA -0.114 4.441 4.550 0.009 0.000 0.290 933 Y C 1.999 177.945 175.900 0.078 0.000 1.144 933 Y CA 1.625 59.764 58.100 0.066 0.000 1.228 933 Y CB 0.184 38.683 38.460 0.065 0.000 0.985 933 Y HN -0.048 nan 8.280 nan 0.000 0.542 934 K N -0.583 119.936 120.400 0.198 0.000 2.217 934 K HA -0.186 4.139 4.320 0.009 0.000 0.202 934 K C 2.010 178.620 176.600 0.017 0.000 1.051 934 K CA 1.109 57.463 56.287 0.111 0.000 0.952 934 K CB 0.008 32.566 32.500 0.098 0.000 0.736 934 K HN 0.247 nan 8.250 nan 0.000 0.453 935 Q N 1.202 121.008 119.800 0.009 0.000 2.033 935 Q HA -0.017 4.328 4.340 0.009 0.000 0.196 935 Q C 1.835 177.813 176.000 -0.036 0.000 0.970 935 Q CA 1.314 57.107 55.803 -0.016 0.000 0.828 935 Q CB -0.191 28.543 28.738 -0.007 0.000 0.895 935 Q HN 0.220 nan 8.270 nan 0.000 0.440 936 L N -0.434 120.753 121.223 -0.060 0.000 2.081 936 L HA -0.188 4.157 4.340 0.009 0.000 0.212 936 L C 2.189 179.057 176.870 -0.003 0.000 1.080 936 L CA 1.015 55.807 54.840 -0.081 0.000 0.754 936 L CB -0.619 41.290 42.059 -0.251 0.000 0.893 936 L HN 0.098 nan 8.230 nan 0.000 0.433 937 V N -0.614 119.248 119.914 -0.087 0.000 2.719 937 V HA -0.185 3.940 4.120 0.009 0.000 0.252 937 V C 2.448 178.462 176.094 -0.133 0.000 1.065 937 V CA 1.342 63.525 62.300 -0.195 0.000 1.086 937 V CB -0.423 31.277 31.823 -0.205 0.000 0.700 937 V HN 0.382 nan 8.190 nan 0.000 0.467 938 K N -0.115 120.246 120.400 -0.065 0.000 2.057 938 K HA -0.150 4.176 4.320 0.009 0.000 0.206 938 K C 1.935 178.545 176.600 0.016 0.000 1.050 938 K CA 1.523 57.788 56.287 -0.035 0.000 0.935 938 K CB -0.219 32.257 32.500 -0.040 0.000 0.715 938 K HN 0.432 nan 8.250 nan 0.000 0.439 939 D N 0.424 120.841 120.400 0.027 0.000 2.104 939 D HA -0.183 4.463 4.640 0.009 0.000 0.194 939 D C 1.913 178.264 176.300 0.085 0.000 0.994 939 D CA 1.060 55.129 54.000 0.115 0.000 0.830 939 D CB -0.124 40.722 40.800 0.076 0.000 0.959 939 D HN 0.139 nan 8.370 nan 0.000 0.452 940 R N 0.843 121.328 120.500 -0.026 0.000 2.096 940 R HA -0.156 4.189 4.340 0.009 0.000 0.240 940 R C 2.110 178.374 176.300 -0.060 0.000 1.139 940 R CA 1.412 57.455 56.100 -0.096 0.000 0.952 940 R CB 0.176 30.252 30.300 -0.374 0.000 0.854 940 R HN 0.036 nan 8.270 nan 0.000 0.436 941 K N -0.013 120.352 120.400 -0.059 0.000 2.002 941 K HA -0.190 4.136 4.320 0.009 0.000 0.209 941 K C 1.985 178.608 176.600 0.038 0.000 1.048 941 K CA 1.350 57.622 56.287 -0.025 0.000 0.930 941 K CB -0.814 31.671 32.500 -0.024 0.000 0.714 941 K HN 0.195 nan 8.250 nan 0.000 0.438 942 F N 2.603 122.511 119.950 -0.070 0.000 2.091 942 F HA -0.211 4.321 4.527 0.009 0.000 0.299 942 F C 2.021 177.781 175.800 -0.065 0.000 1.103 942 F CA 1.346 59.304 58.000 -0.070 0.000 1.228 942 F CB -0.513 38.449 39.000 -0.064 0.000 0.984 942 F HN -0.103 nan 8.300 nan 0.000 0.477 943 L N -0.060 121.008 121.223 -0.257 0.000 2.005 943 L HA -0.188 4.158 4.340 0.009 0.000 0.207 943 L C 2.658 179.437 176.870 -0.151 0.000 1.072 943 L CA 1.501 56.174 54.840 -0.277 0.000 0.744 943 L CB -0.772 41.278 42.059 -0.016 0.000 0.895 943 L HN 0.039 nan 8.230 nan 0.000 0.433 944 R N -0.037 120.438 120.500 -0.042 0.000 2.249 944 R HA -0.184 4.161 4.340 0.009 0.000 0.230 944 R C 1.971 178.245 176.300 -0.043 0.000 1.121 944 R CA 0.996 57.118 56.100 0.037 0.000 0.997 944 R CB -0.145 30.201 30.300 0.076 0.000 0.867 944 R HN 0.507 nan 8.270 nan 0.000 0.465 945 E N -0.193 119.919 120.200 -0.146 0.000 2.086 945 E HA -0.080 4.275 4.350 0.009 0.000 0.190 945 E C 1.920 178.340 176.600 -0.299 0.000 0.975 945 E CA 0.700 56.997 56.400 -0.171 0.000 0.813 945 E CB 0.346 29.972 29.700 -0.123 0.000 0.768 945 E HN 0.050 nan 8.360 nan 0.000 0.457 946 V N 0.356 119.951 119.914 -0.530 0.000 2.255 946 V HA -0.147 3.978 4.120 0.009 0.000 0.243 946 V C 0.874 176.460 176.094 -0.847 0.000 1.038 946 V CA 1.311 63.118 62.300 -0.823 0.000 1.008 946 V CB -0.265 30.768 31.823 -1.317 0.000 0.645 946 V HN 0.159 nan 8.190 nan 0.000 0.449 947 F N 0.420 120.171 119.950 -0.333 0.000 2.560 947 F HA 0.324 4.856 4.527 0.009 0.000 0.338 947 F C 1.353 177.091 175.800 -0.105 0.000 1.201 947 F CA -0.453 57.409 58.000 -0.230 0.000 1.291 947 F CB -0.302 38.570 39.000 -0.213 0.000 1.627 947 F HN -0.136 nan 8.300 nan 0.000 0.588 948 V N -0.738 119.174 119.914 -0.004 0.000 2.313 948 V HA -0.384 3.741 4.120 0.009 0.000 0.253 948 V C 2.096 178.258 176.094 0.114 0.000 1.070 948 V CA 2.058 64.390 62.300 0.053 0.000 1.057 948 V CB -0.438 31.383 31.823 -0.003 0.000 0.653 948 V HN 0.475 nan 8.190 nan 0.000 0.450 949 D N 0.535 120.979 120.400 0.074 0.000 2.170 949 D HA -0.129 4.516 4.640 0.009 0.000 0.193 949 D C 1.905 178.083 176.300 -0.204 0.000 1.004 949 D CA 2.402 56.415 54.000 0.022 0.000 0.860 949 D CB -0.536 40.314 40.800 0.083 0.000 0.931 949 D HN 0.707 nan 8.370 nan 0.000 0.448 950 G N -0.077 108.539 108.800 -0.306 0.000 2.179 950 G HA2 -0.260 3.706 3.960 0.009 0.000 0.220 950 G HA3 -0.260 3.706 3.960 0.009 0.000 0.220 950 G C 0.104 174.778 174.900 -0.377 0.000 0.990 950 G CA 0.359 44.933 45.100 -0.876 0.000 0.646 950 G HN 0.387 nan 8.290 nan 0.000 0.517 951 E N 0.899 121.038 120.200 -0.100 0.000 2.351 951 E HA 0.622 4.977 4.350 0.009 0.000 0.266 951 E C 1.074 177.688 176.600 0.022 0.000 1.031 951 E CA 0.765 57.131 56.400 -0.057 0.000 0.911 951 E CB 0.740 30.457 29.700 0.029 0.000 0.986 951 E HN 0.781 nan 8.360 nan 0.000 0.446 952 A N 5.145 127.881 122.820 -0.139 0.000 2.390 952 A HA 0.141 4.467 4.320 0.009 0.000 0.232 952 A C -0.122 177.350 177.584 -0.187 0.000 1.233 952 A CA -0.380 51.605 52.037 -0.087 0.000 0.907 952 A CB 0.046 19.008 19.000 -0.063 0.000 0.967 952 A HN 0.541 nan 8.150 nan 0.000 0.512 953 N N 0.444 118.834 118.700 -0.517 0.000 2.546 953 N HA 0.345 5.091 4.740 0.009 0.000 0.238 953 N C -1.855 173.081 175.510 -0.956 0.000 0.984 953 N CA 0.126 52.851 53.050 -0.543 0.000 0.935 953 N CB 0.540 38.762 38.487 -0.443 0.000 1.122 953 N HN 0.420 nan 8.380 nan 0.000 0.510 954 W N 2.310 123.461 121.300 -0.247 0.000 2.739 954 W HA 0.359 5.024 4.660 0.009 0.000 0.331 954 W C -2.111 174.342 176.519 -0.110 0.000 1.049 954 W CA -1.957 55.253 57.345 -0.225 0.000 1.234 954 W CB 1.466 30.710 29.460 -0.360 0.000 1.404 954 W HN 0.249 nan 8.180 nan 0.000 0.477 955 P HA 0.051 nan 4.420 nan 0.000 0.260 955 P C -0.791 176.594 177.300 0.142 0.000 1.207 955 P CA 0.829 63.996 63.100 0.112 0.000 0.780 955 P CB 0.580 32.361 31.700 0.135 0.000 0.789 956 L N 5.985 127.279 121.223 0.119 0.000 2.422 956 L HA 0.514 4.859 4.340 0.009 0.000 0.264 956 L C -2.254 174.657 176.870 0.067 0.000 0.984 956 L CA -2.952 51.965 54.840 0.128 0.000 0.819 956 L CB 2.849 45.054 42.059 0.243 0.000 1.330 956 L HN 0.127 nan 8.230 nan 0.000 0.410 957 P HA 0.049 nan 4.420 nan 0.000 0.269 957 P C -0.454 176.793 177.300 -0.088 0.000 1.215 957 P CA 0.153 63.160 63.100 -0.155 0.000 0.780 957 P CB 1.072 32.526 31.700 -0.410 0.000 0.898 958 V N 0.312 120.213 119.914 -0.022 0.000 3.559 958 V HA -0.199 3.926 4.120 0.009 0.000 0.476 958 V C 0.685 176.862 176.094 0.138 0.000 0.682 958 V CA 0.200 62.549 62.300 0.082 0.000 1.988 958 V CB -1.712 30.224 31.823 0.188 0.000 2.423 958 V HN 0.897 nan 8.190 nan 0.000 0.500 959 N N 4.661 123.401 118.700 0.067 0.000 2.549 959 N HA 0.204 4.949 4.740 0.009 0.000 0.267 959 N C 1.044 176.574 175.510 0.033 0.000 1.182 959 N CA 0.121 53.196 53.050 0.041 0.000 1.019 959 N CB 0.518 38.999 38.487 -0.009 0.000 1.380 959 N HN 0.723 nan 8.380 nan 0.000 0.505 960 I N 2.439 123.044 120.570 0.057 0.000 2.151 960 I HA -0.350 3.826 4.170 0.009 0.000 0.243 960 I C 2.554 178.639 176.117 -0.055 0.000 1.080 960 I CA 1.151 62.452 61.300 0.001 0.000 1.339 960 I CB -0.213 37.785 38.000 -0.003 0.000 1.039 960 I HN 0.518 nan 8.210 nan 0.000 0.409 961 R N 0.867 121.341 120.500 -0.043 0.000 2.134 961 R HA -0.281 4.065 4.340 0.009 0.000 0.248 961 R C 2.470 178.720 176.300 -0.083 0.000 1.143 961 R CA 2.020 58.077 56.100 -0.072 0.000 0.957 961 R CB -0.278 30.002 30.300 -0.033 0.000 0.867 961 R HN 0.267 nan 8.270 nan 0.000 0.441 962 R N 0.163 120.637 120.500 -0.042 0.000 2.070 962 R HA -0.113 4.232 4.340 0.009 0.000 0.232 962 R C 2.445 178.728 176.300 -0.029 0.000 1.138 962 R CA 2.162 58.250 56.100 -0.020 0.000 0.936 962 R CB -0.441 29.867 30.300 0.014 0.000 0.839 962 R HN 0.315 nan 8.270 nan 0.000 0.429 963 I N 0.845 121.388 120.570 -0.045 0.000 2.143 963 I HA -0.395 3.780 4.170 0.009 0.000 0.245 963 I C 2.361 178.455 176.117 -0.039 0.000 1.068 963 I CA 1.638 62.896 61.300 -0.071 0.000 1.326 963 I CB -0.543 37.355 38.000 -0.172 0.000 1.028 963 I HN 0.272 nan 8.210 nan 0.000 0.412 964 I N 0.536 121.027 120.570 -0.133 0.000 2.099 964 I HA -0.354 3.822 4.170 0.009 0.000 0.239 964 I C 2.758 178.802 176.117 -0.120 0.000 1.066 964 I CA 1.722 62.899 61.300 -0.205 0.000 1.324 964 I CB -0.529 37.185 38.000 -0.477 0.000 1.037 964 I HN 0.338 nan 8.210 nan 0.000 0.401 965 Q N 0.461 120.174 119.800 -0.144 0.000 2.197 965 Q HA -0.197 4.148 4.340 0.009 0.000 0.207 965 Q C 1.323 177.194 176.000 -0.215 0.000 0.984 965 Q CA 1.245 56.936 55.803 -0.186 0.000 0.869 965 Q CB -0.454 28.151 28.738 -0.222 0.000 0.906 965 Q HN 0.541 nan 8.270 nan 0.000 0.426 966 N N -0.550 118.127 118.700 -0.039 0.000 2.434 966 N HA 0.084 4.829 4.740 0.009 0.000 0.196 966 N C 0.487 176.194 175.510 0.329 0.000 1.183 966 N CA 0.651 53.783 53.050 0.138 0.000 0.849 966 N CB 0.670 39.333 38.487 0.293 0.000 0.992 966 N HN 0.260 nan 8.380 nan 0.000 0.460 967 A N -0.511 122.463 122.820 0.257 0.000 2.048 967 A HA 0.092 4.417 4.320 0.009 0.000 0.197 967 A C 1.862 179.543 177.584 0.162 0.000 1.486 967 A CA -0.112 52.127 52.037 0.337 0.000 1.029 967 A CB 0.219 19.435 19.000 0.361 0.000 1.101 967 A HN -0.030 nan 8.150 nan 0.000 0.470 968 Q N 0.185 120.015 119.800 0.050 0.000 2.197 968 Q HA -0.253 4.092 4.340 0.009 0.000 0.207 968 Q C 1.601 177.604 176.000 0.005 0.000 0.984 968 Q CA 2.151 57.965 55.803 0.018 0.000 0.869 968 Q CB -0.112 28.623 28.738 -0.005 0.000 0.906 968 Q HN 0.964 nan 8.270 nan 0.000 0.426 969 Q N -3.001 116.773 119.800 -0.043 0.000 2.140 969 Q HA 0.188 4.533 4.340 0.009 0.000 0.227 969 Q C 1.076 176.891 176.000 -0.309 0.000 0.798 969 Q CA 0.312 56.056 55.803 -0.100 0.000 0.987 969 Q CB 0.075 28.813 28.738 -0.001 0.000 1.161 969 Q HN -0.113 nan 8.270 nan 0.000 0.480 970 T N -0.332 114.068 114.554 -0.258 0.000 3.054 970 T HA 0.199 4.554 4.350 0.009 0.000 0.259 970 T C -0.171 174.041 174.700 -0.813 0.000 1.092 970 T CA 0.716 62.495 62.100 -0.534 0.000 1.121 970 T CB -0.055 68.431 68.868 -0.637 0.000 0.912 970 T HN 0.324 nan 8.240 nan 0.000 0.489 971 F N 0.208 119.913 119.950 -0.408 0.000 2.683 971 F HA 0.324 4.857 4.527 0.009 0.000 0.306 971 F C 0.201 175.921 175.800 -0.133 0.000 1.102 971 F CA -0.968 56.877 58.000 -0.258 0.000 1.244 971 F CB -0.087 38.812 39.000 -0.169 0.000 1.029 971 F HN 0.098 nan 8.300 nan 0.000 0.545 972 H N 1.260 120.369 119.070 0.064 0.000 2.542 972 H HA -0.152 4.409 4.556 0.009 0.000 0.313 972 H C 0.122 175.470 175.328 0.034 0.000 0.960 972 H CA 0.408 56.476 56.048 0.034 0.000 1.032 972 H CB -1.210 28.557 29.762 0.009 0.000 1.620 972 H HN 0.279 nan 8.280 nan 0.000 0.346 973 I N 4.209 124.827 120.570 0.079 0.000 2.301 973 I HA 0.014 4.189 4.170 0.009 0.000 0.292 973 I C 0.708 176.757 176.117 -0.113 0.000 1.046 973 I CA -0.401 60.887 61.300 -0.019 0.000 1.282 973 I CB 0.885 38.841 38.000 -0.074 0.000 1.409 973 I HN 0.296 nan 8.210 nan 0.000 0.484 974 D N 5.968 126.327 120.400 -0.069 0.000 2.295 974 D HA 0.045 4.690 4.640 0.009 0.000 0.248 974 D C 0.467 176.709 176.300 -0.098 0.000 1.154 974 D CA -0.359 53.610 54.000 -0.052 0.000 0.857 974 D CB 0.903 41.710 40.800 0.012 0.000 1.117 974 D HN 0.479 nan 8.370 nan 0.000 0.468 975 H N 1.569 120.670 119.070 0.052 0.000 2.682 975 H HA 0.021 4.582 4.556 0.009 0.000 0.293 975 H C 1.115 176.460 175.328 0.029 0.000 1.080 975 H CA 0.562 56.635 56.048 0.042 0.000 1.189 975 H CB -0.092 29.696 29.762 0.044 0.000 1.311 975 H HN 0.631 nan 8.280 nan 0.000 0.599 976 T N -3.514 111.095 114.554 0.092 0.000 3.019 976 T HA 0.152 4.507 4.350 0.009 0.000 0.247 976 T C 0.910 175.632 174.700 0.038 0.000 0.992 976 T CA -0.218 61.921 62.100 0.064 0.000 1.036 976 T CB 1.138 70.038 68.868 0.053 0.000 1.063 976 T HN 0.020 nan 8.240 nan 0.000 0.476 977 K N 2.483 122.898 120.400 0.025 0.000 2.106 977 K HA 0.519 4.844 4.320 0.009 0.000 0.246 977 K C -2.653 173.953 176.600 0.009 0.000 0.987 977 K CA -2.381 53.915 56.287 0.014 0.000 0.904 977 K CB 0.935 33.441 32.500 0.010 0.000 1.071 977 K HN 0.193 nan 8.250 nan 0.000 0.453 978 P HA 0.018 nan 4.420 nan 0.000 0.282 978 P C -0.466 176.829 177.300 -0.008 0.000 1.249 978 P CA -0.340 62.758 63.100 -0.002 0.000 0.806 978 P CB 1.452 33.149 31.700 -0.005 0.000 0.984 979 S N 0.941 116.632 115.700 -0.015 0.000 2.608 979 S HA 0.079 4.554 4.470 0.009 0.000 0.261 979 S C 0.762 175.345 174.600 -0.028 0.000 1.314 979 S CA -0.160 58.027 58.200 -0.022 0.000 0.992 979 S CB -0.054 63.128 63.200 -0.031 0.000 0.935 979 S HN 0.600 nan 8.310 nan 0.000 0.564 980 D N 1.336 121.718 120.400 -0.032 0.000 2.501 980 D HA 0.153 4.798 4.640 0.009 0.000 0.226 980 D C 0.035 176.302 176.300 -0.055 0.000 1.198 980 D CA -0.216 53.765 54.000 -0.033 0.000 0.830 980 D CB -0.484 40.306 40.800 -0.017 0.000 1.014 980 D HN 0.372 nan 8.370 nan 0.000 0.496 981 L N 0.976 122.150 121.223 -0.082 0.000 2.331 981 L HA 0.239 4.585 4.340 0.009 0.000 0.278 981 L C 0.368 177.164 176.870 -0.123 0.000 1.106 981 L CA 0.023 54.781 54.840 -0.137 0.000 0.824 981 L CB 1.349 43.285 42.059 -0.205 0.000 1.142 981 L HN -0.158 nan 8.230 nan 0.000 0.443 982 T N 3.898 118.375 114.554 -0.129 0.000 2.845 982 T HA 0.285 4.640 4.350 0.009 0.000 0.288 982 T C 1.662 176.291 174.700 -0.120 0.000 0.980 982 T CA -0.473 61.568 62.100 -0.099 0.000 1.071 982 T CB 1.401 70.224 68.868 -0.074 0.000 0.941 982 T HN 0.424 nan 8.240 nan 0.000 0.487 983 I N 1.852 122.367 120.570 -0.091 0.000 2.315 983 I HA -0.243 3.932 4.170 0.009 0.000 0.251 983 I C 2.494 178.561 176.117 -0.082 0.000 1.125 983 I CA 1.443 62.691 61.300 -0.087 0.000 1.392 983 I CB -0.189 37.777 38.000 -0.056 0.000 1.065 983 I HN 0.688 nan 8.210 nan 0.000 0.424 984 K N 0.441 120.801 120.400 -0.068 0.000 2.025 984 K HA -0.175 4.150 4.320 0.009 0.000 0.207 984 K C 1.663 178.222 176.600 -0.068 0.000 1.049 984 K CA 1.485 57.741 56.287 -0.052 0.000 0.933 984 K CB -0.223 32.255 32.500 -0.037 0.000 0.714 984 K HN 0.270 nan 8.250 nan 0.000 0.438 985 D N 1.259 121.597 120.400 -0.102 0.000 2.156 985 D HA -0.210 4.436 4.640 0.009 0.000 0.190 985 D C 1.977 178.161 176.300 -0.192 0.000 0.998 985 D CA 1.348 55.266 54.000 -0.135 0.000 0.842 985 D CB -0.578 40.104 40.800 -0.197 0.000 0.974 985 D HN 0.119 nan 8.370 nan 0.000 0.447 986 I N 0.665 121.016 120.570 -0.365 0.000 2.043 986 I HA -0.322 3.854 4.170 0.009 0.000 0.231 986 I C 2.615 178.700 176.117 -0.054 0.000 1.024 986 I CA 1.054 62.108 61.300 -0.410 0.000 1.309 986 I CB -0.853 36.926 38.000 -0.368 0.000 1.030 986 I HN -0.092 nan 8.210 nan 0.000 0.389 987 V N 1.125 121.014 119.914 -0.042 0.000 2.252 987 V HA -0.340 3.785 4.120 0.009 0.000 0.255 987 V C 2.399 178.508 176.094 0.025 0.000 1.071 987 V CA 2.282 64.588 62.300 0.009 0.000 1.050 987 V CB -0.767 31.055 31.823 -0.003 0.000 0.654 987 V HN 0.391 nan 8.190 nan 0.000 0.448 988 L N -0.129 121.099 121.223 0.009 0.000 2.156 988 L HA -0.015 4.330 4.340 0.009 0.000 0.208 988 L C 2.559 179.455 176.870 0.043 0.000 1.095 988 L CA 1.332 56.183 54.840 0.018 0.000 0.770 988 L CB -0.941 41.121 42.059 0.005 0.000 0.914 988 L HN 0.495 nan 8.230 nan 0.000 0.439 989 G N -0.346 108.500 108.800 0.078 0.000 2.414 989 G HA2 -0.182 3.783 3.960 0.009 0.000 0.215 989 G HA3 -0.182 3.783 3.960 0.009 0.000 0.215 989 G C 1.577 176.563 174.900 0.144 0.000 1.188 989 G CA 0.794 45.985 45.100 0.152 0.000 0.783 989 G HN 0.136 nan 8.290 nan 0.000 0.537 990 V N 0.966 120.991 119.914 0.185 0.000 2.282 990 V HA -0.255 3.870 4.120 0.009 0.000 0.249 990 V C 2.690 178.804 176.094 0.033 0.000 1.057 990 V CA 2.511 64.877 62.300 0.109 0.000 1.032 990 V CB -0.561 31.333 31.823 0.118 0.000 0.645 990 V HN 0.383 nan 8.190 nan 0.000 0.447 991 K N -0.263 120.157 120.400 0.033 0.000 1.978 991 K HA -0.246 4.079 4.320 0.009 0.000 0.214 991 K C 2.095 178.692 176.600 -0.004 0.000 1.049 991 K CA 2.116 58.406 56.287 0.006 0.000 0.939 991 K CB -0.406 32.099 32.500 0.008 0.000 0.721 991 K HN 0.455 nan 8.250 nan 0.000 0.441 992 D N 0.624 121.029 120.400 0.009 0.000 2.149 992 D HA -0.201 4.444 4.640 0.009 0.000 0.194 992 D C 1.916 178.207 176.300 -0.016 0.000 1.001 992 D CA 1.142 55.142 54.000 0.000 0.000 0.849 992 D CB -0.180 40.629 40.800 0.014 0.000 0.939 992 D HN 0.115 nan 8.370 nan 0.000 0.449 993 L N 1.534 122.748 121.223 -0.016 0.000 2.051 993 L HA -0.242 4.104 4.340 0.009 0.000 0.214 993 L C 2.023 178.851 176.870 -0.071 0.000 1.076 993 L CA 1.789 56.602 54.840 -0.045 0.000 0.758 993 L CB -0.819 41.204 42.059 -0.061 0.000 0.890 993 L HN 0.028 nan 8.230 nan 0.000 0.433 994 Q N -0.935 118.822 119.800 -0.071 0.000 2.515 994 Q HA -0.169 4.176 4.340 0.009 0.000 0.215 994 Q C 1.652 177.603 176.000 -0.082 0.000 0.983 994 Q CA 1.000 56.749 55.803 -0.089 0.000 0.905 994 Q CB 0.001 28.694 28.738 -0.074 0.000 0.961 994 Q HN 0.571 nan 8.270 nan 0.000 0.503 995 E N -0.091 120.072 120.200 -0.061 0.000 2.340 995 E HA 0.016 4.371 4.350 0.009 0.000 0.194 995 E C 0.636 177.203 176.600 -0.055 0.000 0.996 995 E CA 0.391 56.762 56.400 -0.050 0.000 0.869 995 E CB 0.300 29.982 29.700 -0.030 0.000 0.835 995 E HN 0.344 nan 8.360 nan 0.000 0.493 996 N N 0.611 119.272 118.700 -0.065 0.000 2.279 996 N HA 0.129 4.874 4.740 0.009 0.000 0.226 996 N C 1.439 176.893 175.510 -0.094 0.000 1.126 996 N CA 0.035 53.051 53.050 -0.058 0.000 0.846 996 N CB 0.808 39.274 38.487 -0.036 0.000 1.050 996 N HN 0.150 nan 8.380 nan 0.000 0.502 997 L N 0.177 121.285 121.223 -0.191 0.000 2.034 997 L HA 0.153 4.498 4.340 0.009 0.000 0.203 997 L C 0.534 177.299 176.870 -0.175 0.000 1.074 997 L CA 0.516 55.100 54.840 -0.427 0.000 0.748 997 L CB -0.358 41.183 42.059 -0.863 0.000 0.905 997 L HN 0.088 nan 8.230 nan 0.000 0.439 998 L N -0.783 120.385 121.223 -0.092 0.000 0.707 998 L HA -0.260 4.085 4.340 0.009 0.000 0.358 998 L C 0.279 177.275 176.870 0.210 0.000 1.005 998 L CA -0.127 54.746 54.840 0.055 0.000 1.219 998 L CB -0.677 41.407 42.059 0.043 0.000 0.031 998 L HN 0.022 nan 8.230 nan 0.000 0.135 999 V N 2.334 122.345 119.914 0.162 0.000 3.363 999 V HA 0.345 4.470 4.120 0.009 0.000 0.270 999 V C 0.127 176.278 176.094 0.096 0.000 1.667 999 V CA 0.321 62.715 62.300 0.156 0.000 1.034 999 V CB 0.940 32.870 31.823 0.178 0.000 0.857 999 V HN 0.467 nan 8.190 nan 0.000 0.410 1000 L N -0.407 120.865 121.223 0.081 0.000 2.424 1000 L HA 0.595 4.940 4.340 0.009 0.000 0.258 1000 L C 0.072 176.973 176.870 0.051 0.000 0.995 1000 L CA -0.469 54.411 54.840 0.066 0.000 0.821 1000 L CB 2.707 44.806 42.059 0.067 0.000 1.383 1000 L HN -0.093 nan 8.230 nan 0.000 0.410 1001 R N 0.078 120.605 120.500 0.045 0.000 2.616 1001 R HA 0.245 4.591 4.340 0.009 0.000 0.427 1001 R C 0.317 176.634 176.300 0.029 0.000 1.030 1001 R CA -0.321 55.799 56.100 0.034 0.000 1.133 1001 R CB 1.325 31.644 30.300 0.031 0.000 1.444 1001 R HN 0.709 nan 8.270 nan 0.000 0.578 1002 G N 0.529 109.348 108.800 0.032 0.000 2.544 1002 G HA2 -0.015 3.950 3.960 0.009 0.000 0.242 1002 G HA3 -0.015 3.950 3.960 0.009 0.000 0.242 1002 G C 0.140 175.051 174.900 0.018 0.000 1.247 1002 G CA -0.317 44.798 45.100 0.027 0.000 0.840 1002 G HN 0.122 nan 8.290 nan 0.000 0.578 1003 K N -0.090 120.319 120.400 0.014 0.000 2.374 1003 K HA 0.034 4.359 4.320 0.009 0.000 0.196 1003 K C 0.810 177.413 176.600 0.006 0.000 1.023 1003 K CA -0.140 56.152 56.287 0.009 0.000 1.103 1003 K CB -0.059 32.446 32.500 0.007 0.000 0.848 1003 K HN 0.721 nan 8.250 nan 0.000 0.528 1004 N N -0.621 118.084 118.700 0.007 0.000 2.434 1004 N HA -0.034 4.711 4.740 0.009 0.000 0.266 1004 N C 0.712 176.221 175.510 -0.001 0.000 1.223 1004 N CA -0.461 52.591 53.050 0.003 0.000 0.972 1004 N CB 0.874 39.364 38.487 0.005 0.000 1.207 1004 N HN -0.152 nan 8.380 nan 0.000 0.525 1005 E N 0.639 120.836 120.200 -0.006 0.000 2.013 1005 E HA -0.188 4.167 4.350 0.009 0.000 0.202 1005 E C 1.433 178.024 176.600 -0.015 0.000 1.018 1005 E CA 1.767 58.160 56.400 -0.012 0.000 0.834 1005 E CB -0.435 29.256 29.700 -0.015 0.000 0.770 1005 E HN 0.669 nan 8.360 nan 0.000 0.459 1006 I N 0.421 120.980 120.570 -0.018 0.000 2.074 1006 I HA -0.350 3.825 4.170 0.009 0.000 0.238 1006 I C 2.269 178.374 176.117 -0.020 0.000 1.037 1006 I CA 1.375 62.659 61.300 -0.027 0.000 1.301 1006 I CB -0.458 37.526 38.000 -0.027 0.000 1.016 1006 I HN 0.315 nan 8.210 nan 0.000 0.400 1007 I N -0.001 120.568 120.570 -0.002 0.000 2.286 1007 I HA -0.249 3.927 4.170 0.009 0.000 0.248 1007 I C 2.508 178.631 176.117 0.011 0.000 1.115 1007 I CA 1.416 62.724 61.300 0.013 0.000 1.392 1007 I CB -1.309 36.708 38.000 0.027 0.000 1.065 1007 I HN 0.402 nan 8.210 nan 0.000 0.418 1008 Q N 0.511 120.314 119.800 0.003 0.000 2.291 1008 Q HA -0.124 4.221 4.340 0.009 0.000 0.206 1008 Q C 1.792 177.788 176.000 -0.007 0.000 0.976 1008 Q CA 0.897 56.701 55.803 0.000 0.000 0.875 1008 Q CB -0.291 28.445 28.738 -0.004 0.000 0.927 1008 Q HN 0.556 nan 8.270 nan 0.000 0.450 1009 N N -0.629 118.063 118.700 -0.014 0.000 2.395 1009 N HA 0.027 4.772 4.740 0.009 0.000 0.175 1009 N C 1.439 176.938 175.510 -0.018 0.000 1.029 1009 N CA 0.780 53.816 53.050 -0.023 0.000 0.897 1009 N CB 0.255 38.721 38.487 -0.035 0.000 0.991 1009 N HN 0.149 nan 8.380 nan 0.000 0.441 1010 A N 1.455 124.270 122.820 -0.009 0.000 1.841 1010 A HA -0.205 4.120 4.320 0.009 0.000 0.214 1010 A C 2.173 179.773 177.584 0.027 0.000 1.195 1010 A CA 1.700 53.741 52.037 0.006 0.000 0.611 1010 A CB -0.844 18.170 19.000 0.023 0.000 0.835 1010 A HN 0.240 nan 8.150 nan 0.000 0.443 1011 Q N 0.357 120.177 119.800 0.033 0.000 2.156 1011 Q HA -0.244 4.101 4.340 0.009 0.000 0.211 1011 Q C 2.017 178.038 176.000 0.034 0.000 0.995 1011 Q CA 2.473 58.302 55.803 0.044 0.000 0.877 1011 Q CB -0.498 28.261 28.738 0.035 0.000 0.920 1011 Q HN 0.670 nan 8.270 nan 0.000 0.416 1012 R N -0.047 120.459 120.500 0.010 0.000 2.075 1012 R HA -0.106 4.239 4.340 0.009 0.000 0.232 1012 R C 1.915 178.218 176.300 0.005 0.000 1.126 1012 R CA 1.339 57.437 56.100 -0.004 0.000 0.963 1012 R CB -0.307 29.977 30.300 -0.027 0.000 0.858 1012 R HN 0.482 nan 8.270 nan 0.000 0.435 1013 D N 1.018 121.422 120.400 0.007 0.000 2.087 1013 D HA -0.144 4.501 4.640 0.009 0.000 0.192 1013 D C 1.672 178.005 176.300 0.055 0.000 0.993 1013 D CA 1.551 55.560 54.000 0.015 0.000 0.828 1013 D CB -0.342 40.464 40.800 0.009 0.000 0.968 1013 D HN 0.188 nan 8.370 nan 0.000 0.448 1014 A N 0.336 123.199 122.820 0.071 0.000 2.272 1014 A HA -0.039 4.286 4.320 0.009 0.000 0.213 1014 A C 2.009 179.686 177.584 0.156 0.000 1.183 1014 A CA 0.855 52.955 52.037 0.104 0.000 0.719 1014 A CB -0.134 18.931 19.000 0.108 0.000 0.771 1014 A HN 0.186 nan 8.150 nan 0.000 0.484 1015 V N -2.732 117.267 119.914 0.141 0.000 3.562 1015 V HA -0.054 4.071 4.120 0.009 0.000 0.270 1015 V C 2.163 178.360 176.094 0.171 0.000 1.418 1015 V CA 1.074 63.488 62.300 0.191 0.000 1.033 1015 V CB -0.336 31.551 31.823 0.107 0.000 0.820 1015 V HN 0.466 nan 8.190 nan 0.000 0.441 1016 T N 1.768 116.384 114.554 0.104 0.000 2.531 1016 T HA -0.336 4.019 4.350 0.009 0.000 0.261 1016 T C 1.854 176.648 174.700 0.157 0.000 1.141 1016 T CA 2.719 64.866 62.100 0.078 0.000 1.176 1016 T CB -0.416 68.479 68.868 0.045 0.000 0.863 1016 T HN 0.283 nan 8.240 nan 0.000 0.424 1017 L N 0.582 121.939 121.223 0.223 0.000 1.944 1017 L HA -0.075 4.270 4.340 0.009 0.000 0.218 1017 L C 2.104 179.114 176.870 0.233 0.000 1.075 1017 L CA 1.939 56.924 54.840 0.241 0.000 0.767 1017 L CB -1.340 40.842 42.059 0.206 0.000 0.890 1017 L HN 0.310 nan 8.230 nan 0.000 0.434 1018 F N 0.192 120.216 119.950 0.123 0.000 2.045 1018 F HA -0.374 4.159 4.527 0.009 0.000 0.297 1018 F C 2.628 178.478 175.800 0.084 0.000 1.114 1018 F CA 2.029 60.105 58.000 0.126 0.000 1.207 1018 F CB -1.248 37.876 39.000 0.207 0.000 0.964 1018 F HN 0.298 nan 8.300 nan 0.000 0.486 1019 C N 0.087 119.361 119.300 -0.043 0.000 2.385 1019 C HA -0.311 4.155 4.460 0.009 0.000 0.275 1019 C C 3.114 178.020 174.990 -0.140 0.000 1.207 1019 C CA 1.266 60.171 59.018 -0.189 0.000 1.760 1019 C CB -1.887 25.816 27.740 -0.062 0.000 2.051 1019 C HN 0.769 nan 8.230 nan 0.000 0.467 1020 C N -0.088 119.203 119.300 -0.014 0.000 2.398 1020 C HA -0.165 4.300 4.460 0.009 0.000 0.276 1020 C C 2.494 177.476 174.990 -0.015 0.000 1.222 1020 C CA 1.423 60.457 59.018 0.027 0.000 1.746 1020 C CB -1.695 26.121 27.740 0.127 0.000 2.039 1020 C HN 0.696 nan 8.230 nan 0.000 0.470 1021 L N 1.127 122.328 121.223 -0.035 0.000 1.956 1021 L HA -0.143 4.202 4.340 0.009 0.000 0.216 1021 L C 2.378 179.175 176.870 -0.122 0.000 1.073 1021 L CA 2.053 56.865 54.840 -0.046 0.000 0.762 1021 L CB -1.215 40.827 42.059 -0.027 0.000 0.889 1021 L HN 0.302 nan 8.230 nan 0.000 0.433 1022 L N -0.047 120.982 121.223 -0.323 0.000 2.034 1022 L HA -0.294 4.052 4.340 0.009 0.000 0.217 1022 L C 2.709 179.501 176.870 -0.130 0.000 1.077 1022 L CA 2.140 56.783 54.840 -0.328 0.000 0.769 1022 L CB -0.678 41.054 42.059 -0.546 0.000 0.890 1022 L HN 0.348 nan 8.230 nan 0.000 0.435 1023 R N -0.769 119.680 120.500 -0.085 0.000 2.075 1023 R HA -0.102 4.243 4.340 0.009 0.000 0.232 1023 R C 2.468 178.811 176.300 0.072 0.000 1.126 1023 R CA 1.495 57.591 56.100 -0.006 0.000 0.963 1023 R CB -0.559 29.735 30.300 -0.011 0.000 0.858 1023 R HN 0.697 nan 8.270 nan 0.000 0.435 1024 S N 0.542 116.290 115.700 0.079 0.000 2.423 1024 S HA -0.069 4.406 4.470 0.009 0.000 0.231 1024 S C 1.861 176.620 174.600 0.265 0.000 1.014 1024 S CA 0.599 58.928 58.200 0.215 0.000 0.965 1024 S CB -0.016 63.259 63.200 0.124 0.000 0.785 1024 S HN 0.150 nan 8.310 nan 0.000 0.495 1025 R N 1.258 121.835 120.500 0.129 0.000 2.057 1025 R HA 0.323 4.668 4.340 0.009 0.000 0.224 1025 R C 1.358 177.750 176.300 0.154 0.000 1.136 1025 R CA 0.550 56.727 56.100 0.129 0.000 0.968 1025 R CB -1.192 29.150 30.300 0.069 0.000 0.863 1025 R HN 0.420 nan 8.270 nan 0.000 0.433 1026 L N 2.356 123.645 121.223 0.109 0.000 2.873 1026 L HA 0.284 4.629 4.340 0.009 0.000 0.236 1026 L C 0.078 177.036 176.870 0.147 0.000 1.375 1026 L CA -0.525 54.406 54.840 0.152 0.000 1.239 1026 L CB -0.149 41.965 42.059 0.092 0.000 1.603 1026 L HN 0.010 nan 8.230 nan 0.000 0.430 1027 A N -0.490 122.383 122.820 0.088 0.000 2.310 1027 A HA 0.431 4.756 4.320 0.009 0.000 0.299 1027 A C 1.396 178.967 177.584 -0.021 0.000 1.147 1027 A CA -0.349 51.720 52.037 0.054 0.000 0.818 1027 A CB 0.711 19.758 19.000 0.079 0.000 1.096 1027 A HN 0.443 nan 8.150 nan 0.000 0.495 1028 T N 1.945 116.496 114.554 -0.004 0.000 2.567 1028 T HA -0.265 4.090 4.350 0.009 0.000 0.261 1028 T C 2.120 176.761 174.700 -0.100 0.000 1.123 1028 T CA 1.987 64.059 62.100 -0.046 0.000 1.166 1028 T CB -0.330 68.521 68.868 -0.027 0.000 0.860 1028 T HN 0.652 nan 8.240 nan 0.000 0.436 1029 R N 0.890 121.316 120.500 -0.124 0.000 2.148 1029 R HA -0.048 4.297 4.340 0.009 0.000 0.230 1029 R C 2.651 178.802 176.300 -0.248 0.000 1.120 1029 R CA 1.608 57.605 56.100 -0.172 0.000 0.902 1029 R CB -0.869 29.306 30.300 -0.209 0.000 0.839 1029 R HN 0.457 nan 8.270 nan 0.000 0.431 1030 R N -0.230 120.054 120.500 -0.360 0.000 2.196 1030 R HA -0.234 4.112 4.340 0.009 0.000 0.244 1030 R C 2.283 178.188 176.300 -0.658 0.000 1.121 1030 R CA 2.576 58.349 56.100 -0.545 0.000 0.930 1030 R CB -1.139 28.866 30.300 -0.492 0.000 0.890 1030 R HN 0.126 nan 8.270 nan 0.000 0.435 1031 V N 1.276 121.000 119.914 -0.317 0.000 2.278 1031 V HA -0.284 3.841 4.120 0.009 0.000 0.251 1031 V C 2.335 178.385 176.094 -0.075 0.000 1.062 1031 V CA 2.088 64.357 62.300 -0.051 0.000 1.038 1031 V CB -0.451 31.460 31.823 0.147 0.000 0.646 1031 V HN 0.299 nan 8.190 nan 0.000 0.447 1032 L N -1.258 119.894 121.223 -0.120 0.000 2.130 1032 L HA -0.065 4.280 4.340 0.009 0.000 0.200 1032 L C 2.526 179.348 176.870 -0.080 0.000 1.075 1032 L CA 1.493 56.286 54.840 -0.080 0.000 0.768 1032 L CB -0.542 41.469 42.059 -0.080 0.000 0.933 1032 L HN 0.266 nan 8.230 nan 0.000 0.451 1033 Q N -0.077 119.642 119.800 -0.135 0.000 2.163 1033 Q HA -0.116 4.229 4.340 0.009 0.000 0.198 1033 Q C 2.041 177.959 176.000 -0.136 0.000 0.954 1033 Q CA 0.906 56.642 55.803 -0.113 0.000 0.851 1033 Q CB 0.377 29.041 28.738 -0.124 0.000 0.928 1033 Q HN 0.430 nan 8.270 nan 0.000 0.459 1034 E N -0.447 119.581 120.200 -0.288 0.000 2.051 1034 E HA -0.106 4.249 4.350 0.009 0.000 0.189 1034 E C -0.295 176.247 176.600 -0.097 0.000 0.979 1034 E CA 0.783 57.000 56.400 -0.306 0.000 0.803 1034 E CB 0.352 29.717 29.700 -0.557 0.000 0.761 1034 E HN 0.403 nan 8.360 nan 0.000 0.451 1035 Y N -0.978 119.373 120.300 0.086 0.000 2.490 1035 Y HA 0.413 4.968 4.550 0.009 0.000 0.346 1035 Y C -0.493 175.482 175.900 0.126 0.000 1.023 1035 Y CA -1.025 57.177 58.100 0.169 0.000 1.142 1035 Y CB -0.169 38.359 38.460 0.114 0.000 1.126 1035 Y HN -0.251 nan 8.280 nan 0.000 0.647 1036 R N 1.909 122.549 120.500 0.234 0.000 0.838 1036 R HA -0.166 4.179 4.340 0.009 0.000 0.160 1036 R C 0.120 176.450 176.300 0.049 0.000 0.385 1036 R CA 0.443 56.594 56.100 0.084 0.000 0.212 1036 R CB -1.066 29.236 30.300 0.004 0.000 1.754 1036 R HN 0.739 nan 8.270 nan 0.000 0.594 1037 L N 0.062 121.365 121.223 0.134 0.000 2.444 1037 L HA 0.056 4.402 4.340 0.009 0.000 0.251 1037 L C 1.396 178.294 176.870 0.046 0.000 1.247 1037 L CA 0.650 55.561 54.840 0.117 0.000 0.825 1037 L CB 0.165 42.380 42.059 0.259 0.000 1.129 1037 L HN 0.347 nan 8.230 nan 0.000 0.527 1038 T N -3.207 111.360 114.554 0.021 0.000 2.906 1038 T HA 0.253 4.608 4.350 0.009 0.000 0.295 1038 T C 0.393 175.096 174.700 0.006 0.000 1.075 1038 T CA -0.904 61.190 62.100 -0.009 0.000 1.005 1038 T CB 2.019 70.872 68.868 -0.025 0.000 1.136 1038 T HN 0.483 nan 8.240 nan 0.000 0.498 1039 K N 0.858 121.251 120.400 -0.011 0.000 2.144 1039 K HA -0.246 4.079 4.320 0.009 0.000 0.209 1039 K C 2.102 178.730 176.600 0.047 0.000 1.047 1039 K CA 2.420 58.713 56.287 0.010 0.000 0.927 1039 K CB -0.545 31.951 32.500 -0.006 0.000 0.716 1039 K HN 0.762 nan 8.250 nan 0.000 0.454 1040 Q N -0.856 118.936 119.800 -0.014 0.000 1.994 1040 Q HA -0.087 4.259 4.340 0.009 0.000 0.198 1040 Q C 1.950 177.765 176.000 -0.308 0.000 0.976 1040 Q CA 1.564 57.328 55.803 -0.064 0.000 0.828 1040 Q CB -0.324 28.406 28.738 -0.012 0.000 0.894 1040 Q HN 0.381 nan 8.270 nan 0.000 0.432 1041 A N 0.755 123.224 122.820 -0.584 0.000 1.841 1041 A HA -0.233 4.092 4.320 0.009 0.000 0.216 1041 A C 1.922 179.396 177.584 -0.183 0.000 1.199 1041 A CA 1.555 53.078 52.037 -0.857 0.000 0.621 1041 A CB -1.404 17.273 19.000 -0.537 0.000 0.835 1041 A HN 0.621 nan 8.150 nan 0.000 0.445 1042 F N 0.936 120.798 119.950 -0.146 0.000 2.032 1042 F HA -0.345 4.187 4.527 0.009 0.000 0.297 1042 F C 1.962 177.750 175.800 -0.020 0.000 1.125 1042 F CA 2.642 60.615 58.000 -0.045 0.000 1.202 1042 F CB -0.506 38.478 39.000 -0.027 0.000 0.958 1042 F HN 0.334 nan 8.300 nan 0.000 0.491 1043 D N -0.850 119.728 120.400 0.297 0.000 2.172 1043 D HA -0.277 4.368 4.640 0.009 0.000 0.196 1043 D C 1.669 178.025 176.300 0.094 0.000 0.999 1043 D CA 1.671 55.790 54.000 0.200 0.000 0.856 1043 D CB -0.503 40.403 40.800 0.176 0.000 0.934 1043 D HN 0.580 nan 8.370 nan 0.000 0.453 1044 W N 0.504 121.743 121.300 -0.102 0.000 2.408 1044 W HA -0.138 4.527 4.660 0.008 0.000 0.311 1044 W C 2.138 178.604 176.519 -0.089 0.000 1.190 1044 W CA 1.002 58.316 57.345 -0.052 0.000 1.321 1044 W CB -0.704 28.751 29.460 -0.010 0.000 1.143 1044 W HN -0.210 nan 8.180 nan 0.000 0.501 1045 V N 1.851 121.624 119.914 -0.235 0.000 2.363 1045 V HA -0.383 3.743 4.120 0.009 0.000 0.254 1045 V C 2.340 178.160 176.094 -0.457 0.000 1.074 1045 V CA 2.156 64.178 62.300 -0.464 0.000 1.069 1045 V CB -1.222 30.379 31.823 -0.371 0.000 0.659 1045 V HN 0.277 nan 8.190 nan 0.000 0.455 1046 L N -0.215 120.769 121.223 -0.397 0.000 1.961 1046 L HA -0.154 4.191 4.340 0.009 0.000 0.209 1046 L C 2.724 179.464 176.870 -0.216 0.000 1.075 1046 L CA 1.921 56.588 54.840 -0.288 0.000 0.749 1046 L CB -1.115 40.815 42.059 -0.214 0.000 0.890 1046 L HN 0.382 nan 8.230 nan 0.000 0.433 1047 S N 0.072 115.670 115.700 -0.170 0.000 2.421 1047 S HA -0.301 4.174 4.470 0.009 0.000 0.239 1047 S C 1.926 176.410 174.600 -0.193 0.000 1.054 1047 S CA 2.091 60.215 58.200 -0.127 0.000 1.035 1047 S CB -0.522 62.640 63.200 -0.063 0.000 0.840 1047 S HN 0.450 nan 8.310 nan 0.000 0.475 1048 N N 0.964 119.443 118.700 -0.368 0.000 2.051 1048 N HA -0.054 4.692 4.740 0.009 0.000 0.192 1048 N C 1.880 177.260 175.510 -0.216 0.000 1.049 1048 N CA 1.882 54.682 53.050 -0.417 0.000 0.845 1048 N CB -0.509 37.497 38.487 -0.800 0.000 1.031 1048 N HN 0.528 nan 8.380 nan 0.000 0.425 1049 I N 1.591 122.050 120.570 -0.185 0.000 2.091 1049 I HA -0.353 3.822 4.170 0.009 0.000 0.240 1049 I C 2.546 178.692 176.117 0.049 0.000 1.046 1049 I CA 1.708 62.993 61.300 -0.024 0.000 1.306 1049 I CB -0.683 37.321 38.000 0.007 0.000 1.018 1049 I HN 0.405 nan 8.210 nan 0.000 0.404 1050 E N 1.321 121.523 120.200 0.004 0.000 2.072 1050 E HA -0.364 3.991 4.350 0.009 0.000 0.218 1050 E C 2.160 178.801 176.600 0.070 0.000 1.051 1050 E CA 2.220 58.639 56.400 0.032 0.000 0.880 1050 E CB -0.254 29.438 29.700 -0.015 0.000 0.783 1050 E HN 0.474 nan 8.360 nan 0.000 0.473 1051 A N 0.639 123.465 122.820 0.010 0.000 1.869 1051 A HA -0.338 3.987 4.320 0.009 0.000 0.218 1051 A C 2.246 179.836 177.584 0.009 0.000 1.203 1051 A CA 2.290 54.330 52.037 0.005 0.000 0.638 1051 A CB -1.020 17.967 19.000 -0.022 0.000 0.831 1051 A HN 0.537 nan 8.150 nan 0.000 0.450 1052 Q N -1.948 117.850 119.800 -0.003 0.000 2.062 1052 Q HA -0.247 4.098 4.340 0.009 0.000 0.209 1052 Q C 1.966 177.942 176.000 -0.040 0.000 0.996 1052 Q CA 1.960 57.751 55.803 -0.021 0.000 0.859 1052 Q CB -0.395 28.337 28.738 -0.010 0.000 0.920 1052 Q HN 0.721 nan 8.270 nan 0.000 0.415 1053 F N 1.359 121.241 119.950 -0.113 0.000 2.027 1053 F HA -0.302 4.230 4.527 0.009 0.000 0.297 1053 F C 2.041 177.751 175.800 -0.149 0.000 1.129 1053 F CA 1.769 59.662 58.000 -0.178 0.000 1.195 1053 F CB -0.457 38.461 39.000 -0.136 0.000 0.960 1053 F HN 0.000 nan 8.300 nan 0.000 0.485 1054 L N 0.020 121.336 121.223 0.155 0.000 2.197 1054 L HA -0.285 4.060 4.340 0.009 0.000 0.215 1054 L C 2.411 179.210 176.870 -0.117 0.000 1.095 1054 L CA 1.472 56.339 54.840 0.044 0.000 0.764 1054 L CB -0.728 41.371 42.059 0.066 0.000 0.897 1054 L HN 0.210 nan 8.230 nan 0.000 0.436 1055 R N -1.144 119.259 120.500 -0.162 0.000 2.246 1055 R HA 0.053 4.398 4.340 0.009 0.000 0.199 1055 R C 1.959 177.993 176.300 -0.443 0.000 0.984 1055 R CA 0.625 56.581 56.100 -0.240 0.000 1.015 1055 R CB -0.022 30.152 30.300 -0.211 0.000 0.930 1055 R HN 0.223 nan 8.270 nan 0.000 0.475 1056 S N 0.716 116.159 115.700 -0.428 0.000 2.593 1056 S HA 0.076 4.551 4.470 0.009 0.000 0.217 1056 S C 0.714 175.133 174.600 -0.300 0.000 0.966 1056 S CA -0.135 57.818 58.200 -0.412 0.000 0.914 1056 S CB 0.249 63.215 63.200 -0.391 0.000 0.776 1056 S HN -0.030 nan 8.310 nan 0.000 0.523 1057 V N 2.084 121.832 119.914 -0.276 0.000 2.775 1057 V HA 0.204 4.329 4.120 0.009 0.000 0.299 1057 V C 0.771 176.889 176.094 0.040 0.000 1.062 1057 V CA -0.801 61.409 62.300 -0.150 0.000 1.063 1057 V CB 0.560 32.306 31.823 -0.130 0.000 0.994 1057 V HN 0.030 nan 8.190 nan 0.000 0.483 1058 V N 3.262 123.230 119.914 0.090 0.000 2.924 1058 V HA 0.106 4.231 4.120 0.009 0.000 0.305 1058 V C 0.365 176.575 176.094 0.193 0.000 1.073 1058 V CA -0.166 62.244 62.300 0.184 0.000 1.098 1058 V CB 0.109 32.069 31.823 0.228 0.000 1.000 1058 V HN 0.840 nan 8.190 nan 0.000 0.484 1059 H N 3.637 122.672 119.070 -0.058 0.000 2.489 1059 H HA 0.272 4.833 4.556 0.009 0.000 0.322 1059 H C -2.364 172.850 175.328 -0.189 0.000 1.091 1059 H CA -2.129 53.852 56.048 -0.111 0.000 1.291 1059 H CB 1.560 31.269 29.762 -0.089 0.000 1.436 1059 H HN 0.452 nan 8.280 nan 0.000 0.480 1060 P HA -0.024 nan 4.420 nan 0.000 0.262 1060 P C 0.839 177.924 177.300 -0.358 0.000 1.199 1060 P CA 1.008 63.845 63.100 -0.439 0.000 0.763 1060 P CB 0.678 31.775 31.700 -1.006 0.000 0.790 1061 G N 2.433 111.075 108.800 -0.263 0.000 2.905 1061 G HA2 -0.158 3.807 3.960 0.009 0.000 0.196 1061 G HA3 -0.158 3.807 3.960 0.009 0.000 0.196 1061 G C 0.044 174.857 174.900 -0.145 0.000 1.044 1061 G CA -0.535 44.473 45.100 -0.153 0.000 0.778 1061 G HN 0.454 nan 8.290 nan 0.000 0.474 1062 E N 2.025 122.139 120.200 -0.143 0.000 2.729 1062 E HA 0.071 4.426 4.350 0.009 0.000 0.246 1062 E C 0.590 177.066 176.600 -0.207 0.000 0.984 1062 E CA 0.406 56.713 56.400 -0.155 0.000 0.951 1062 E CB 0.164 29.766 29.700 -0.163 0.000 0.914 1062 E HN 0.256 nan 8.360 nan 0.000 0.509 1063 M N 5.035 124.537 119.600 -0.164 0.000 3.237 1063 M HA 0.009 4.494 4.480 0.009 0.000 0.266 1063 M C 1.078 177.274 176.300 -0.174 0.000 1.456 1063 M CA -0.189 55.013 55.300 -0.163 0.000 1.593 1063 M CB -0.482 32.048 32.600 -0.117 0.000 1.129 1063 M HN 0.165 nan 8.290 nan 0.000 0.547 1064 V N 0.977 120.731 119.914 -0.266 0.000 2.594 1064 V HA -0.174 3.951 4.120 0.009 0.000 0.253 1064 V C 2.344 178.357 176.094 -0.136 0.000 1.069 1064 V CA 2.045 64.182 62.300 -0.270 0.000 1.082 1064 V CB -1.442 30.040 31.823 -0.567 0.000 0.680 1064 V HN 0.811 nan 8.190 nan 0.000 0.469 1065 G N 0.687 109.404 108.800 -0.138 0.000 2.628 1065 G HA2 -0.259 3.706 3.960 0.009 0.000 0.217 1065 G HA3 -0.259 3.706 3.960 0.009 0.000 0.217 1065 G C 1.633 176.481 174.900 -0.087 0.000 1.240 1065 G CA 1.623 46.658 45.100 -0.107 0.000 0.792 1065 G HN 0.364 nan 8.290 nan 0.000 0.593 1066 V N 0.971 120.832 119.914 -0.088 0.000 2.237 1066 V HA -0.161 3.964 4.120 0.009 0.000 0.245 1066 V C 2.730 178.794 176.094 -0.050 0.000 1.046 1066 V CA 1.785 64.041 62.300 -0.074 0.000 1.007 1066 V CB -0.768 31.013 31.823 -0.070 0.000 0.638 1066 V HN 0.361 nan 8.190 nan 0.000 0.445 1067 L N 0.453 121.653 121.223 -0.038 0.000 2.171 1067 L HA -0.293 4.053 4.340 0.009 0.000 0.216 1067 L C 2.177 179.075 176.870 0.046 0.000 1.084 1067 L CA 2.608 57.450 54.840 0.004 0.000 0.771 1067 L CB -0.663 41.419 42.059 0.037 0.000 0.890 1067 L HN 0.296 nan 8.230 nan 0.000 0.437 1068 A N -1.248 121.626 122.820 0.089 0.000 1.862 1068 A HA 0.191 4.516 4.320 0.009 0.000 0.211 1068 A C 2.447 180.016 177.584 -0.024 0.000 1.220 1068 A CA 1.180 53.307 52.037 0.151 0.000 0.616 1068 A CB -1.219 17.886 19.000 0.175 0.000 0.878 1068 A HN 0.519 nan 8.150 nan 0.000 0.453 1069 A N -0.053 122.738 122.820 -0.049 0.000 1.909 1069 A HA -0.355 3.970 4.320 0.009 0.000 0.221 1069 A C 2.129 179.660 177.584 -0.088 0.000 1.223 1069 A CA 2.266 54.252 52.037 -0.085 0.000 0.658 1069 A CB -0.905 18.032 19.000 -0.105 0.000 0.831 1069 A HN 0.688 nan 8.150 nan 0.000 0.462 1070 Q N -0.821 118.932 119.800 -0.079 0.000 2.079 1070 Q HA -0.092 4.253 4.340 0.009 0.000 0.200 1070 Q C 2.361 178.308 176.000 -0.087 0.000 0.974 1070 Q CA 1.506 57.270 55.803 -0.066 0.000 0.840 1070 Q CB -0.262 28.463 28.738 -0.022 0.000 0.898 1070 Q HN 0.646 nan 8.270 nan 0.000 0.430 1071 S N 0.638 116.236 115.700 -0.171 0.000 2.465 1071 S HA -0.101 4.374 4.470 0.009 0.000 0.241 1071 S C 1.771 176.236 174.600 -0.225 0.000 1.000 1071 S CA 0.928 58.946 58.200 -0.303 0.000 0.964 1071 S CB -0.087 62.610 63.200 -0.838 0.000 0.763 1071 S HN 0.308 nan 8.310 nan 0.000 0.512 1072 I N -0.011 120.463 120.570 -0.160 0.000 3.172 1072 I HA 0.106 4.282 4.170 0.009 0.000 0.278 1072 I C 2.599 178.651 176.117 -0.109 0.000 1.174 1072 I CA 0.566 61.789 61.300 -0.129 0.000 1.445 1072 I CB -0.689 37.248 38.000 -0.105 0.000 1.175 1072 I HN 0.311 nan 8.210 nan 0.000 0.447 1073 G N 0.821 109.560 108.800 -0.102 0.000 2.418 1073 G HA2 -0.234 3.731 3.960 0.009 0.000 0.217 1073 G HA3 -0.234 3.731 3.960 0.009 0.000 0.217 1073 G C 1.497 176.329 174.900 -0.113 0.000 1.158 1073 G CA 0.525 45.568 45.100 -0.094 0.000 0.771 1073 G HN 0.234 nan 8.290 nan 0.000 0.545 1074 E N 0.984 121.096 120.200 -0.146 0.000 2.000 1074 E HA -0.107 4.248 4.350 0.009 0.000 0.199 1074 E C 0.066 176.578 176.600 -0.148 0.000 1.011 1074 E CA 1.510 57.781 56.400 -0.214 0.000 0.836 1074 E CB -1.003 28.494 29.700 -0.339 0.000 0.778 1074 E HN 0.288 nan 8.360 nan 0.000 0.462 1075 P HA -0.145 nan 4.420 nan 0.000 0.225 1075 P C 0.715 177.963 177.300 -0.086 0.000 1.141 1075 P CA 1.530 64.577 63.100 -0.090 0.000 0.774 1075 P CB -0.094 31.552 31.700 -0.090 0.000 0.760 1076 A N 0.059 122.826 122.820 -0.089 0.000 1.935 1076 A HA -0.017 4.308 4.320 0.009 0.000 0.214 1076 A C 1.920 179.468 177.584 -0.061 0.000 1.178 1076 A CA 1.405 53.399 52.037 -0.071 0.000 0.640 1076 A CB -1.448 17.513 19.000 -0.065 0.000 0.825 1076 A HN 0.223 nan 8.150 nan 0.000 0.447 1077 T N 0.135 114.645 114.554 -0.073 0.000 3.361 1077 T HA 0.065 4.420 4.350 0.009 0.000 0.251 1077 T C 0.937 175.598 174.700 -0.064 0.000 1.131 1077 T CA 0.484 62.544 62.100 -0.065 0.000 1.001 1077 T CB 0.017 68.836 68.868 -0.081 0.000 1.003 1077 T HN 0.396 nan 8.240 nan 0.000 0.558 1078 Q N 0.125 119.889 119.800 -0.061 0.000 2.189 1078 Q HA 0.350 4.695 4.340 0.009 0.000 0.223 1078 Q C 0.242 176.219 176.000 -0.039 0.000 0.828 1078 Q CA 0.138 55.911 55.803 -0.051 0.000 0.967 1078 Q CB 0.456 29.162 28.738 -0.054 0.000 1.139 1078 Q HN 0.567 nan 8.270 nan 0.000 0.497 1079 M N 1.192 120.769 119.600 -0.039 0.000 2.144 1079 M HA 0.339 4.825 4.480 0.009 0.000 0.356 1079 M C -0.635 175.652 176.300 -0.022 0.000 1.217 1079 M CA 0.432 55.714 55.300 -0.030 0.000 1.087 1079 M CB 1.397 33.977 32.600 -0.033 0.000 1.609 1079 M HN -0.234 nan 8.290 nan 0.000 0.467 1080 T N 3.721 118.266 114.554 -0.016 0.000 3.767 1080 T HA 0.434 4.789 4.350 0.009 0.000 0.360 1080 T C -0.765 173.932 174.700 -0.005 0.000 1.181 1080 T CA -0.688 61.405 62.100 -0.011 0.000 1.110 1080 T CB 1.365 70.225 68.868 -0.012 0.000 1.201 1080 T HN 0.519 nan 8.240 nan 0.000 0.474 1093 K N 1.600 122.016 120.400 0.026 0.000 2.954 1093 K HA 0.302 4.627 4.320 0.009 0.000 0.171 1093 K C -0.664 175.957 176.600 0.034 0.000 1.079 1093 K CA -0.344 55.957 56.287 0.024 0.000 0.908 1093 K CB 1.572 34.083 32.500 0.019 0.000 1.142 1093 K HN -0.108 nan 8.250 nan 0.000 0.613 1094 V N -0.083 119.853 119.914 0.037 0.000 3.074 1094 V HA 0.352 4.478 4.120 0.009 0.000 0.314 1094 V C 0.209 176.327 176.094 0.041 0.000 1.117 1094 V CA -0.967 61.361 62.300 0.047 0.000 1.014 1094 V CB 2.218 34.078 31.823 0.061 0.000 1.057 1094 V HN 0.286 nan 8.190 nan 0.000 0.438 1095 T N 2.949 117.531 114.554 0.046 0.000 2.738 1095 T HA 0.461 4.816 4.350 0.009 0.000 0.294 1095 T C 0.249 174.974 174.700 0.041 0.000 0.914 1095 T CA -0.012 62.114 62.100 0.042 0.000 1.052 1095 T CB 0.213 69.109 68.868 0.047 0.000 0.897 1095 T HN 0.966 nan 8.240 nan 0.000 0.522 1096 S N 2.586 118.304 115.700 0.029 0.000 2.837 1096 S HA 0.940 5.415 4.470 0.009 0.000 0.314 1096 S C 0.589 175.196 174.600 0.012 0.000 1.098 1096 S CA -0.392 57.820 58.200 0.020 0.000 0.903 1096 S CB 0.837 64.046 63.200 0.014 0.000 1.310 1096 S HN 1.137 nan 8.310 nan 0.000 0.581 1097 G N -0.284 108.516 108.800 -0.001 0.000 2.914 1097 G HA2 -0.148 3.818 3.960 0.009 0.000 0.254 1097 G HA3 -0.148 3.818 3.960 0.009 0.000 0.254 1097 G C 0.664 175.564 174.900 -0.000 0.000 1.449 1097 G CA -0.193 44.904 45.100 -0.007 0.000 0.925 1097 G HN 1.562 nan 8.290 nan 0.000 0.555 1098 V N 2.033 121.945 119.914 -0.003 0.000 2.279 1098 V HA -0.348 3.778 4.120 0.009 0.000 0.258 1098 V C 1.155 177.261 176.094 0.021 0.000 1.078 1098 V CA 3.724 66.028 62.300 0.007 0.000 1.096 1098 V CB -1.841 29.986 31.823 0.007 0.000 0.740 1098 V HN 0.912 nan 8.190 nan 0.000 0.465 1099 P HA -0.275 nan 4.420 nan 0.000 0.216 1099 P C 1.582 178.908 177.300 0.043 0.000 1.167 1099 P CA 2.550 65.669 63.100 0.033 0.000 0.914 1099 P CB -0.224 31.492 31.700 0.027 0.000 0.793 1100 R N 0.368 120.891 120.500 0.038 0.000 2.080 1100 R HA -0.142 4.204 4.340 0.009 0.000 0.236 1100 R C 2.478 178.804 176.300 0.043 0.000 1.137 1100 R CA 1.519 57.647 56.100 0.047 0.000 0.943 1100 R CB -1.906 28.417 30.300 0.039 0.000 0.846 1100 R HN 0.130 nan 8.270 nan 0.000 0.431 1101 L N 1.075 122.310 121.223 0.020 0.000 2.081 1101 L HA -0.179 4.167 4.340 0.009 0.000 0.212 1101 L C 2.241 179.132 176.870 0.034 0.000 1.080 1101 L CA 2.224 57.067 54.840 0.006 0.000 0.754 1101 L CB -0.588 41.464 42.059 -0.011 0.000 0.893 1101 L HN 0.362 nan 8.230 nan 0.000 0.433 1102 K N -0.555 119.877 120.400 0.053 0.000 2.025 1102 K HA -0.245 4.080 4.320 0.009 0.000 0.207 1102 K C 2.124 178.784 176.600 0.100 0.000 1.049 1102 K CA 1.628 57.963 56.287 0.081 0.000 0.933 1102 K CB -0.190 32.360 32.500 0.082 0.000 0.714 1102 K HN 0.476 nan 8.250 nan 0.000 0.438 1103 E N 0.726 120.985 120.200 0.098 0.000 2.065 1103 E HA -0.237 4.118 4.350 0.009 0.000 0.201 1103 E C 1.934 178.645 176.600 0.185 0.000 1.016 1103 E CA 2.122 58.598 56.400 0.127 0.000 0.818 1103 E CB -0.112 29.660 29.700 0.120 0.000 0.749 1103 E HN 0.314 nan 8.360 nan 0.000 0.453 1104 I N 0.471 121.141 120.570 0.166 0.000 2.045 1104 I HA -0.352 3.823 4.170 0.009 0.000 0.233 1104 I C 2.493 178.723 176.117 0.188 0.000 1.048 1104 I CA 1.280 62.689 61.300 0.181 0.000 1.313 1104 I CB -0.554 37.418 38.000 -0.047 0.000 1.043 1104 I HN 0.223 nan 8.210 nan 0.000 0.393 1105 L N 0.689 121.968 121.223 0.094 0.000 2.103 1105 L HA -0.299 4.046 4.340 0.009 0.000 0.215 1105 L C 2.209 179.161 176.870 0.136 0.000 1.080 1105 L CA 1.430 56.324 54.840 0.090 0.000 0.764 1105 L CB -0.854 41.236 42.059 0.052 0.000 0.890 1105 L HN 0.430 nan 8.230 nan 0.000 0.435 1106 N N -0.430 118.361 118.700 0.152 0.000 2.409 1106 N HA -0.044 4.701 4.740 0.009 0.000 0.179 1106 N C 0.754 176.366 175.510 0.170 0.000 1.032 1106 N CA 0.828 53.973 53.050 0.158 0.000 0.898 1106 N CB 0.402 38.980 38.487 0.151 0.000 0.971 1106 N HN 0.101 nan 8.380 nan 0.000 0.441 1107 V N -0.057 119.986 119.914 0.215 0.000 6.086 1107 V HA -0.253 3.872 4.120 0.009 0.000 0.331 1107 V C 0.634 176.773 176.094 0.075 0.000 0.467 1107 V CA 0.239 62.655 62.300 0.194 0.000 0.678 1107 V CB -2.864 29.048 31.823 0.148 0.000 0.318 1107 V HN 0.411 nan 8.190 nan 0.000 1.180 1108 A N 0.066 122.946 122.820 0.100 0.000 2.448 1108 A HA 0.560 4.885 4.320 0.009 0.000 0.239 1108 A C 1.054 178.623 177.584 -0.025 0.000 1.080 1108 A CA 1.012 53.080 52.037 0.051 0.000 0.779 1108 A CB 0.415 19.461 19.000 0.077 0.000 1.026 1108 A HN 0.636 nan 8.150 nan 0.000 0.499 1109 K N -0.270 120.115 120.400 -0.025 0.000 2.391 1109 K HA 0.106 4.431 4.320 0.009 0.000 0.197 1109 K C 0.144 176.725 176.600 -0.032 0.000 1.087 1109 K CA 0.692 56.945 56.287 -0.057 0.000 1.012 1109 K CB 0.285 32.754 32.500 -0.052 0.000 0.925 1109 K HN 0.688 nan 8.250 nan 0.000 0.547 1110 N N 2.496 121.192 118.700 -0.006 0.000 2.455 1110 N HA 0.080 4.825 4.740 0.009 0.000 0.258 1110 N C -0.150 175.370 175.510 0.017 0.000 1.158 1110 N CA -0.075 52.977 53.050 0.003 0.000 0.893 1110 N CB 0.018 38.511 38.487 0.009 0.000 1.173 1110 N HN 0.354 nan 8.380 nan 0.000 0.503 1111 M N -0.951 118.663 119.600 0.022 0.000 2.248 1111 M HA 0.058 4.543 4.480 0.009 0.000 0.343 1111 M C 0.695 177.016 176.300 0.035 0.000 1.243 1111 M CA 0.512 55.838 55.300 0.044 0.000 1.025 1111 M CB 0.758 33.395 32.600 0.063 0.000 1.759 1111 M HN -0.153 nan 8.290 nan 0.000 0.452 1112 K N 1.372 121.796 120.400 0.040 0.000 2.062 1112 K HA 0.021 4.346 4.320 0.009 0.000 0.205 1112 K C 0.285 176.906 176.600 0.034 0.000 1.051 1112 K CA 1.255 57.561 56.287 0.032 0.000 0.941 1112 K CB 0.059 32.578 32.500 0.032 0.000 0.719 1112 K HN 0.761 nan 8.250 nan 0.000 0.440 1113 T N 3.171 117.752 114.554 0.045 0.000 3.254 1113 T HA 0.139 4.494 4.350 0.009 0.000 0.385 1113 T C -2.045 172.688 174.700 0.055 0.000 1.528 1113 T CA -1.463 60.665 62.100 0.047 0.000 1.212 1113 T CB 1.384 70.284 68.868 0.053 0.000 1.145 1113 T HN 0.048 nan 8.240 nan 0.000 0.631 1114 P HA -0.048 nan 4.420 nan 0.000 0.202 1114 P C 0.438 177.764 177.300 0.042 0.000 1.189 1114 P CA 0.576 63.697 63.100 0.036 0.000 0.921 1114 P CB 0.009 31.718 31.700 0.016 0.000 0.756 1115 S N -1.810 113.912 115.700 0.035 0.000 3.400 1115 S HA -0.160 4.315 4.470 0.009 0.000 0.854 1115 S C -0.845 173.777 174.600 0.037 0.000 1.167 1115 S CA -0.154 58.072 58.200 0.044 0.000 0.985 1115 S CB -1.116 62.127 63.200 0.072 0.000 0.666 1115 S HN 0.344 nan 8.310 nan 0.000 0.276 1116 L N 4.027 125.275 121.223 0.041 0.000 2.410 1116 L HA 0.710 5.055 4.340 0.009 0.000 0.270 1116 L C -0.171 176.733 176.870 0.057 0.000 0.983 1116 L CA 0.051 54.916 54.840 0.040 0.000 0.822 1116 L CB 2.370 44.443 42.059 0.024 0.000 1.285 1116 L HN 0.758 nan 8.230 nan 0.000 0.409 1117 T N 4.298 118.917 114.554 0.108 0.000 2.821 1117 T HA 0.530 4.885 4.350 0.009 0.000 0.307 1117 T C -0.303 174.386 174.700 -0.018 0.000 1.034 1117 T CA -0.433 61.691 62.100 0.040 0.000 0.953 1117 T CB 0.736 69.714 68.868 0.184 0.000 0.968 1117 T HN 0.464 nan 8.240 nan 0.000 0.462 1118 V N 1.752 121.580 119.914 -0.142 0.000 2.716 1118 V HA 0.782 4.908 4.120 0.009 0.000 0.304 1118 V C -1.261 174.661 176.094 -0.287 0.000 1.053 1118 V CA -0.911 61.349 62.300 -0.068 0.000 0.984 1118 V CB 0.707 32.526 31.823 -0.006 0.000 1.021 1118 V HN 0.671 nan 8.190 nan 0.000 0.467 1119 Y N 2.182 122.499 120.300 0.029 0.000 2.524 1119 Y HA 0.758 5.313 4.550 0.009 0.000 0.344 1119 Y C -0.127 175.803 175.900 0.050 0.000 1.012 1119 Y CA -1.226 56.892 58.100 0.030 0.000 1.068 1119 Y CB 1.555 40.040 38.460 0.041 0.000 1.249 1119 Y HN 0.521 nan 8.280 nan 0.000 0.468 1120 L N 1.138 122.490 121.223 0.214 0.000 2.439 1120 L HA 0.210 4.555 4.340 0.009 0.000 0.261 1120 L C 0.464 177.433 176.870 0.165 0.000 1.153 1120 L CA -0.533 54.408 54.840 0.168 0.000 0.808 1120 L CB 0.254 42.417 42.059 0.173 0.000 1.126 1120 L HN 0.592 nan 8.230 nan 0.000 0.460 1121 E N 2.451 122.746 120.200 0.157 0.000 2.452 1121 E HA -0.062 4.293 4.350 0.009 0.000 0.261 1121 E C -1.517 175.151 176.600 0.113 0.000 0.987 1121 E CA -0.968 55.517 56.400 0.142 0.000 0.926 1121 E CB 0.550 30.366 29.700 0.194 0.000 0.934 1121 E HN 0.391 nan 8.360 nan 0.000 0.452 1122 P HA -0.325 nan 4.420 nan 0.000 0.216 1122 P C 1.131 178.429 177.300 -0.003 0.000 1.062 1122 P CA 2.067 65.182 63.100 0.026 0.000 0.995 1122 P CB -0.065 31.636 31.700 0.002 0.000 0.762 1123 G N -0.556 108.199 108.800 -0.077 0.000 2.586 1123 G HA2 -0.246 3.719 3.960 0.009 0.000 0.218 1123 G HA3 -0.246 3.719 3.960 0.009 0.000 0.218 1123 G C 0.559 175.349 174.900 -0.184 0.000 1.216 1123 G CA 0.841 45.824 45.100 -0.194 0.000 0.786 1123 G HN 0.425 nan 8.290 nan 0.000 0.583 1124 H N 1.359 120.456 119.070 0.045 0.000 3.629 1124 H HA 0.366 4.927 4.556 0.009 0.000 0.245 1124 H C 1.121 176.499 175.328 0.084 0.000 1.599 1124 H CA 0.421 56.502 56.048 0.055 0.000 1.557 1124 H CB -0.196 29.591 29.762 0.042 0.000 1.823 1124 H HN 0.348 nan 8.280 nan 0.000 0.614 1125 A N 0.981 123.889 122.820 0.147 0.000 2.431 1125 A HA 0.446 4.772 4.320 0.009 0.000 0.239 1125 A C 1.874 179.577 177.584 0.198 0.000 1.230 1125 A CA 0.535 52.668 52.037 0.160 0.000 0.928 1125 A CB 0.545 19.607 19.000 0.102 0.000 1.006 1125 A HN 0.561 nan 8.150 nan 0.000 0.520 1126 A N -0.884 122.058 122.820 0.204 0.000 2.141 1126 A HA 0.237 4.562 4.320 0.009 0.000 0.201 1126 A C 0.043 177.790 177.584 0.272 0.000 1.344 1126 A CA -0.014 52.169 52.037 0.244 0.000 0.971 1126 A CB 0.128 19.218 19.000 0.150 0.000 1.035 1126 A HN 0.190 nan 8.150 nan 0.000 0.480 1127 D N 1.650 122.161 120.400 0.185 0.000 2.422 1127 D HA 0.001 4.646 4.640 0.009 0.000 0.283 1127 D C 1.301 177.583 176.300 -0.029 0.000 1.428 1127 D CA 0.542 54.596 54.000 0.090 0.000 1.117 1127 D CB 0.895 41.747 40.800 0.087 0.000 1.120 1127 D HN 0.552 nan 8.370 nan 0.000 0.543 1128 Q N 2.744 122.486 119.800 -0.096 0.000 2.268 1128 Q HA -0.260 4.085 4.340 0.009 0.000 0.210 1128 Q C 1.557 177.251 176.000 -0.510 0.000 0.988 1128 Q CA 1.793 57.286 55.803 -0.516 0.000 0.883 1128 Q CB 0.071 28.651 28.738 -0.263 0.000 0.911 1128 Q HN 0.613 nan 8.270 nan 0.000 0.430 1129 E N -0.513 119.533 120.200 -0.257 0.000 2.014 1129 E HA -0.271 4.084 4.350 0.009 0.000 0.190 1129 E C 1.995 178.480 176.600 -0.190 0.000 0.980 1129 E CA 0.956 57.231 56.400 -0.208 0.000 0.807 1129 E CB -0.237 29.387 29.700 -0.127 0.000 0.770 1129 E HN 0.503 nan 8.360 nan 0.000 0.451 1130 Q N 0.706 120.423 119.800 -0.138 0.000 2.250 1130 Q HA -0.308 4.037 4.340 0.009 0.000 0.215 1130 Q C 1.724 177.653 176.000 -0.118 0.000 1.002 1130 Q CA 2.670 58.401 55.803 -0.120 0.000 0.910 1130 Q CB -0.488 28.201 28.738 -0.081 0.000 0.939 1130 Q HN 0.357 nan 8.270 nan 0.000 0.416 1131 A N 0.100 122.828 122.820 -0.153 0.000 1.872 1131 A HA -0.164 4.161 4.320 0.009 0.000 0.214 1131 A C 1.966 179.451 177.584 -0.166 0.000 1.187 1131 A CA 1.552 53.505 52.037 -0.139 0.000 0.614 1131 A CB -0.482 18.415 19.000 -0.171 0.000 0.826 1131 A HN 0.448 nan 8.150 nan 0.000 0.442 1132 K N -0.178 120.080 120.400 -0.237 0.000 2.077 1132 K HA -0.209 4.116 4.320 0.009 0.000 0.213 1132 K C 1.861 178.370 176.600 -0.152 0.000 1.051 1132 K CA 1.811 57.970 56.287 -0.213 0.000 0.929 1132 K CB -0.619 31.746 32.500 -0.226 0.000 0.715 1132 K HN 0.501 nan 8.250 nan 0.000 0.451 1133 L N 0.755 121.900 121.223 -0.131 0.000 1.943 1133 L HA -0.235 4.110 4.340 0.009 0.000 0.215 1133 L C 2.395 179.217 176.870 -0.079 0.000 1.074 1133 L CA 1.476 56.256 54.840 -0.100 0.000 0.759 1133 L CB -0.682 41.321 42.059 -0.094 0.000 0.888 1133 L HN 0.196 nan 8.230 nan 0.000 0.433 1134 I N -0.372 120.156 120.570 -0.070 0.000 2.479 1134 I HA -0.327 3.849 4.170 0.009 0.000 0.258 1134 I C 2.815 178.909 176.117 -0.039 0.000 1.165 1134 I CA 1.077 62.350 61.300 -0.045 0.000 1.422 1134 I CB -0.542 37.440 38.000 -0.031 0.000 1.087 1134 I HN 0.380 nan 8.210 nan 0.000 0.441 1135 R N 1.583 122.048 120.500 -0.059 0.000 2.064 1135 R HA -0.166 4.179 4.340 0.009 0.000 0.228 1135 R C 2.524 178.806 176.300 -0.030 0.000 1.144 1135 R CA 2.304 58.376 56.100 -0.046 0.000 0.932 1135 R CB -0.367 29.880 30.300 -0.090 0.000 0.833 1135 R HN 0.376 nan 8.270 nan 0.000 0.429 1136 S N 0.763 116.429 115.700 -0.056 0.000 2.382 1136 S HA -0.064 4.411 4.470 0.009 0.000 0.228 1136 S C 2.267 176.850 174.600 -0.029 0.000 1.027 1136 S CA 0.902 59.076 58.200 -0.043 0.000 0.991 1136 S CB -0.400 62.760 63.200 -0.068 0.000 0.823 1136 S HN 0.533 nan 8.310 nan 0.000 0.469 1137 A N 1.638 124.439 122.820 -0.032 0.000 1.972 1137 A HA 0.067 4.392 4.320 0.009 0.000 0.219 1137 A C 2.139 179.721 177.584 -0.004 0.000 1.169 1137 A CA 1.410 53.433 52.037 -0.023 0.000 0.635 1137 A CB -0.625 18.359 19.000 -0.027 0.000 0.810 1137 A HN 0.594 nan 8.150 nan 0.000 0.446 1138 I N -1.259 119.313 120.570 0.004 0.000 2.499 1138 I HA -0.013 4.162 4.170 0.009 0.000 0.243 1138 I C 1.154 177.298 176.117 0.045 0.000 1.085 1138 I CA 0.044 61.357 61.300 0.022 0.000 1.422 1138 I CB -0.322 37.689 38.000 0.019 0.000 1.165 1138 I HN 0.318 nan 8.210 nan 0.000 0.440 1139 E N 2.520 122.747 120.200 0.046 0.000 2.752 1139 E HA -0.202 4.153 4.350 0.009 0.000 0.241 1139 E C 0.074 176.725 176.600 0.085 0.000 1.016 1139 E CA 0.073 56.516 56.400 0.073 0.000 0.952 1139 E CB 0.019 29.768 29.700 0.083 0.000 0.921 1139 E HN 0.164 nan 8.360 nan 0.000 0.515 1140 H N 3.298 122.372 119.070 0.005 0.000 2.998 1140 H HA 0.005 4.566 4.556 0.009 0.000 0.353 1140 H C -0.930 174.397 175.328 -0.001 0.000 1.099 1140 H CA 1.027 57.074 56.048 -0.002 0.000 1.393 1140 H CB 0.670 30.429 29.762 -0.004 0.000 1.343 1140 H HN 0.395 nan 8.280 nan 0.000 0.609 1141 T N 4.428 118.595 114.554 -0.644 0.000 3.798 1141 T HA 0.232 4.587 4.350 0.009 0.000 0.339 1141 T C -0.514 173.909 174.700 -0.462 0.000 0.967 1141 T CA -0.406 61.444 62.100 -0.417 0.000 1.046 1141 T CB 0.593 69.349 68.868 -0.185 0.000 1.092 1141 T HN 0.831 nan 8.240 nan 0.000 0.465 1142 T N 0.540 114.881 114.554 -0.356 0.000 2.884 1142 T HA 0.606 4.962 4.350 0.009 0.000 0.277 1142 T C 1.312 175.947 174.700 -0.108 0.000 0.976 1142 T CA -0.856 61.125 62.100 -0.197 0.000 0.956 1142 T CB 0.806 69.623 68.868 -0.084 0.000 1.113 1142 T HN 0.187 nan 8.240 nan 0.000 0.554 1143 L N 0.628 121.813 121.223 -0.063 0.000 2.056 1143 L HA 0.164 4.509 4.340 0.009 0.000 0.207 1143 L C 2.667 179.518 176.870 -0.031 0.000 1.078 1143 L CA 1.828 56.641 54.840 -0.044 0.000 0.749 1143 L CB -1.237 40.811 42.059 -0.018 0.000 0.901 1143 L HN 0.894 nan 8.230 nan 0.000 0.433 1144 K N -0.501 119.888 120.400 -0.018 0.000 2.059 1144 K HA -0.225 4.101 4.320 0.009 0.000 0.212 1144 K C 2.001 178.592 176.600 -0.015 0.000 1.050 1144 K CA 1.891 58.173 56.287 -0.008 0.000 0.927 1144 K CB -0.292 32.210 32.500 0.003 0.000 0.714 1144 K HN 0.578 nan 8.250 nan 0.000 0.447 1145 S N -0.663 115.021 115.700 -0.026 0.000 2.584 1145 S HA -0.051 4.424 4.470 0.009 0.000 0.240 1145 S C 1.290 175.873 174.600 -0.028 0.000 0.975 1145 S CA 1.043 59.227 58.200 -0.028 0.000 0.949 1145 S CB 0.222 63.396 63.200 -0.042 0.000 0.761 1145 S HN 0.171 nan 8.310 nan 0.000 0.536 1146 V N -0.383 119.513 119.914 -0.031 0.000 3.426 1146 V HA 0.181 4.306 4.120 0.009 0.000 0.279 1146 V C 0.446 176.526 176.094 -0.022 0.000 1.544 1146 V CA 0.196 62.478 62.300 -0.030 0.000 1.017 1146 V CB 0.043 31.838 31.823 -0.046 0.000 0.821 1146 V HN 0.389 nan 8.190 nan 0.000 0.432 1147 T N 1.836 116.380 114.554 -0.017 0.000 2.794 1147 T HA 0.447 4.802 4.350 0.009 0.000 0.296 1147 T C 1.272 175.971 174.700 -0.001 0.000 0.949 1147 T CA 0.162 62.257 62.100 -0.008 0.000 1.101 1147 T CB 1.740 70.606 68.868 -0.003 0.000 0.905 1147 T HN 0.072 nan 8.240 nan 0.000 0.516 1148 I N 1.465 122.037 120.570 0.003 0.000 2.188 1148 I HA 0.233 4.408 4.170 0.009 0.000 0.237 1148 I C 1.352 177.476 176.117 0.013 0.000 1.073 1148 I CA 0.565 61.869 61.300 0.008 0.000 1.359 1148 I CB -0.112 37.895 38.000 0.012 0.000 1.083 1148 I HN 0.648 nan 8.210 nan 0.000 0.412 1149 A N -0.232 122.600 122.820 0.020 0.000 2.583 1149 A HA 0.700 5.026 4.320 0.009 0.000 0.289 1149 A C -0.854 176.751 177.584 0.035 0.000 1.151 1149 A CA -0.233 51.819 52.037 0.026 0.000 0.695 1149 A CB 1.473 20.492 19.000 0.031 0.000 1.290 1149 A HN 0.231 nan 8.150 nan 0.000 0.419 1150 S N -0.439 115.285 115.700 0.039 0.000 2.599 1150 S HA 0.869 5.344 4.470 0.009 0.000 0.287 1150 S C -0.931 173.713 174.600 0.073 0.000 1.105 1150 S CA -0.541 57.690 58.200 0.052 0.000 0.899 1150 S CB 1.843 65.064 63.200 0.035 0.000 1.100 1150 S HN 0.749 nan 8.310 nan 0.000 0.482 1151 E N 0.310 120.582 120.200 0.120 0.000 2.446 1151 E HA 0.587 4.942 4.350 0.009 0.000 0.276 1151 E C -1.336 175.385 176.600 0.201 0.000 0.969 1151 E CA -0.880 55.620 56.400 0.166 0.000 0.800 1151 E CB 2.238 32.149 29.700 0.352 0.000 1.341 1151 E HN 0.633 nan 8.360 nan 0.000 0.460 1152 I N 2.490 123.165 120.570 0.175 0.000 2.583 1152 I HA 0.272 4.447 4.170 0.009 0.000 0.276 1152 I C -1.302 174.992 176.117 0.296 0.000 1.089 1152 I CA -0.552 60.880 61.300 0.219 0.000 1.103 1152 I CB 0.341 38.391 38.000 0.083 0.000 1.209 1152 I HN 0.372 nan 8.210 nan 0.000 0.484 1153 Y N 3.515 123.925 120.300 0.183 0.000 2.392 1153 Y HA 0.262 4.817 4.550 0.009 0.000 0.323 1153 Y C -0.112 175.970 175.900 0.303 0.000 1.291 1153 Y CA -0.656 57.570 58.100 0.210 0.000 1.345 1153 Y CB 0.628 39.156 38.460 0.113 0.000 1.320 1153 Y HN 0.350 nan 8.280 nan 0.000 0.518 1154 Y N 2.050 122.526 120.300 0.294 0.000 2.595 1154 Y HA 0.301 4.856 4.550 0.009 0.000 0.336 1154 Y C -0.895 175.002 175.900 -0.004 0.000 0.996 1154 Y CA -0.788 57.318 58.100 0.011 0.000 1.260 1154 Y CB 0.155 38.528 38.460 -0.145 0.000 1.108 1154 Y HN 0.496 nan 8.280 nan 0.000 0.509 1155 D N 8.677 128.817 120.400 -0.433 0.000 2.454 1155 D HA 0.240 4.885 4.640 0.009 0.000 0.247 1155 D C -2.168 173.847 176.300 -0.475 0.000 1.129 1155 D CA -1.721 52.081 54.000 -0.329 0.000 0.877 1155 D CB 2.311 43.033 40.800 -0.131 0.000 1.082 1155 D HN 0.307 nan 8.370 nan 0.000 0.537 1156 P HA 0.035 nan 4.420 nan 0.000 0.228 1156 P C 0.164 177.356 177.300 -0.180 0.000 1.166 1156 P CA 0.226 63.089 63.100 -0.396 0.000 0.812 1156 P CB 0.834 32.321 31.700 -0.356 0.000 0.857 1157 D N 1.866 122.192 120.400 -0.123 0.000 2.479 1157 D HA 0.126 4.771 4.640 0.009 0.000 0.218 1157 D C -1.272 175.006 176.300 -0.037 0.000 1.131 1157 D CA -2.530 51.433 54.000 -0.063 0.000 0.916 1157 D CB 0.590 41.365 40.800 -0.041 0.000 1.022 1157 D HN 0.035 nan 8.370 nan 0.000 0.515 1158 P HA -0.148 nan 4.420 nan 0.000 0.229 1158 P C 0.966 178.306 177.300 0.067 0.000 1.150 1158 P CA 0.594 63.713 63.100 0.031 0.000 0.765 1158 P CB 0.321 32.052 31.700 0.052 0.000 0.783 1159 R N 0.062 120.584 120.500 0.037 0.000 2.246 1159 R HA 0.109 4.454 4.340 0.009 0.000 0.199 1159 R C 0.555 176.875 176.300 0.034 0.000 0.984 1159 R CA 0.617 56.743 56.100 0.043 0.000 1.015 1159 R CB 0.208 30.505 30.300 -0.005 0.000 0.930 1159 R HN 0.262 nan 8.270 nan 0.000 0.475 1160 S N -0.491 115.218 115.700 0.015 0.000 2.626 1160 S HA 0.252 4.727 4.470 0.009 0.000 0.275 1160 S C -0.444 174.151 174.600 -0.008 0.000 1.175 1160 S CA -0.921 57.283 58.200 0.007 0.000 0.982 1160 S CB 2.049 65.249 63.200 -0.001 0.000 1.093 1160 S HN -0.099 nan 8.310 nan 0.000 0.472 1161 T N 2.444 116.990 114.554 -0.012 0.000 2.860 1161 T HA 0.257 4.612 4.350 0.009 0.000 0.299 1161 T C 1.491 176.178 174.700 -0.023 0.000 1.045 1161 T CA -0.510 61.570 62.100 -0.033 0.000 1.071 1161 T CB 0.952 69.788 68.868 -0.053 0.000 0.985 1161 T HN 0.611 nan 8.240 nan 0.000 0.537 1162 V N 1.229 121.129 119.914 -0.022 0.000 3.306 1162 V HA 0.121 4.246 4.120 0.009 0.000 0.264 1162 V C 0.800 176.904 176.094 0.018 0.000 1.149 1162 V CA 0.847 63.156 62.300 0.016 0.000 1.143 1162 V CB -0.648 31.210 31.823 0.059 0.000 0.767 1162 V HN 0.644 nan 8.190 nan 0.000 0.476 1163 I N 2.508 123.060 120.570 -0.031 0.000 2.353 1163 I HA 0.216 4.391 4.170 0.009 0.000 0.293 1163 I C -0.867 175.235 176.117 -0.024 0.000 0.992 1163 I CA -1.737 59.539 61.300 -0.040 0.000 1.268 1163 I CB 1.671 39.585 38.000 -0.142 0.000 1.387 1163 I HN 0.018 nan 8.210 nan 0.000 0.478 1164 P HA -0.113 nan 4.420 nan 0.000 0.220 1164 P C 0.799 178.094 177.300 -0.007 0.000 1.152 1164 P CA 1.254 64.354 63.100 -0.001 0.000 0.812 1164 P CB 0.276 31.982 31.700 0.010 0.000 0.792 1165 E N -0.164 120.029 120.200 -0.012 0.000 2.418 1165 E HA -0.088 4.267 4.350 0.009 0.000 0.197 1165 E C 0.423 177.011 176.600 -0.020 0.000 1.026 1165 E CA 0.591 56.983 56.400 -0.012 0.000 0.862 1165 E CB -0.215 29.480 29.700 -0.009 0.000 0.799 1165 E HN 0.316 nan 8.360 nan 0.000 0.518 1166 D N 0.098 120.480 120.400 -0.031 0.000 2.395 1166 D HA 0.032 4.677 4.640 0.009 0.000 0.213 1166 D C 1.060 177.351 176.300 -0.014 0.000 1.110 1166 D CA 0.038 54.020 54.000 -0.030 0.000 0.835 1166 D CB 0.266 41.033 40.800 -0.056 0.000 0.965 1166 D HN 0.154 nan 8.370 nan 0.000 0.505 1167 E N 1.043 121.237 120.200 -0.010 0.000 2.049 1167 E HA -0.226 4.130 4.350 0.009 0.000 0.198 1167 E C 1.680 178.283 176.600 0.004 0.000 1.007 1167 E CA 0.959 57.359 56.400 0.000 0.000 0.809 1167 E CB 0.142 29.841 29.700 -0.001 0.000 0.749 1167 E HN 0.343 nan 8.360 nan 0.000 0.450 1168 E N 0.636 120.833 120.200 -0.006 0.000 2.033 1168 E HA -0.237 4.118 4.350 0.009 0.000 0.199 1168 E C 2.195 178.776 176.600 -0.032 0.000 1.011 1168 E CA 1.278 57.668 56.400 -0.017 0.000 0.815 1168 E CB -0.162 29.524 29.700 -0.023 0.000 0.755 1168 E HN 0.208 nan 8.360 nan 0.000 0.451 1169 I N 1.040 121.591 120.570 -0.032 0.000 2.181 1169 I HA -0.359 3.816 4.170 0.009 0.000 0.247 1169 I C 2.427 178.549 176.117 0.009 0.000 1.081 1169 I CA 1.207 62.479 61.300 -0.046 0.000 1.340 1169 I CB -0.362 37.642 38.000 0.007 0.000 1.036 1169 I HN 0.262 nan 8.210 nan 0.000 0.417 1170 I N 0.135 120.742 120.570 0.062 0.000 2.202 1170 I HA -0.295 3.880 4.170 0.009 0.000 0.242 1170 I C 2.628 178.876 176.117 0.218 0.000 1.091 1170 I CA 1.511 62.895 61.300 0.139 0.000 1.368 1170 I CB -0.527 37.544 38.000 0.118 0.000 1.058 1170 I HN 0.357 nan 8.210 nan 0.000 0.410 1171 Q N 0.809 120.698 119.800 0.147 0.000 2.084 1171 Q HA -0.139 4.207 4.340 0.009 0.000 0.202 1171 Q C 2.020 178.130 176.000 0.184 0.000 0.978 1171 Q CA 1.231 57.145 55.803 0.185 0.000 0.844 1171 Q CB -0.210 28.571 28.738 0.072 0.000 0.898 1171 Q HN 0.524 nan 8.270 nan 0.000 0.426 1172 L N 0.955 122.170 121.223 -0.013 0.000 2.749 1172 L HA -0.062 4.283 4.340 0.009 0.000 0.245 1172 L C 0.538 177.205 176.870 -0.338 0.000 1.156 1172 L CA 0.249 54.995 54.840 -0.157 0.000 0.890 1172 L CB -0.421 41.484 42.059 -0.257 0.000 1.036 1172 L HN 0.244 nan 8.230 nan 0.000 0.441 1173 H N -0.478 118.496 119.070 -0.160 0.000 2.412 1173 H HA 0.261 4.822 4.556 0.009 0.000 0.239 1173 H C -0.365 174.341 175.328 -1.036 0.000 1.388 1173 H CA -0.194 55.539 56.048 -0.525 0.000 1.148 1173 H CB 0.170 29.570 29.762 -0.604 0.000 1.637 1173 H HN 0.216 nan 8.280 nan 0.000 0.542 1174 F N -0.832 119.143 119.950 0.043 0.000 3.033 1174 F HA 0.029 4.561 4.527 0.009 0.000 0.332 1174 F C 0.903 176.705 175.800 0.003 0.000 1.266 1174 F CA -0.463 57.552 58.000 0.025 0.000 0.998 1174 F CB 0.208 39.216 39.000 0.014 0.000 1.438 1174 F HN 0.023 nan 8.300 nan 0.000 0.501 1175 S N 0.361 116.115 115.700 0.091 0.000 2.730 1175 S HA 0.841 5.316 4.470 0.009 0.000 0.284 1175 S C -0.379 174.238 174.600 0.028 0.000 1.153 1175 S CA -0.603 57.629 58.200 0.053 0.000 0.995 1175 S CB 1.985 65.196 63.200 0.018 0.000 1.058 1175 S HN 0.175 nan 8.310 nan 0.000 0.552 1188 Q N 1.378 121.159 119.800 -0.033 0.000 2.283 1188 Q HA 0.253 4.598 4.340 0.009 0.000 0.301 1188 Q C -0.365 175.644 176.000 0.014 0.000 1.063 1188 Q CA 0.552 56.356 55.803 0.002 0.000 0.952 1188 Q CB 0.824 29.559 28.738 -0.005 0.000 1.166 1188 Q HN 0.437 nan 8.270 nan 0.000 0.381 1189 S N 2.665 118.392 115.700 0.045 0.000 2.669 1189 S HA 0.360 4.835 4.470 0.009 0.000 0.270 1189 S C -1.705 172.878 174.600 -0.028 0.000 1.225 1189 S CA -1.511 56.719 58.200 0.050 0.000 0.991 1189 S CB 0.743 64.033 63.200 0.149 0.000 0.987 1189 S HN 0.527 nan 8.310 nan 0.000 0.552 1190 P HA 0.173 nan 4.420 nan 0.000 0.251 1190 P C -0.618 176.392 177.300 -0.484 0.000 1.223 1190 P CA 0.061 62.908 63.100 -0.422 0.000 0.796 1190 P CB -0.045 31.272 31.700 -0.640 0.000 1.068 1191 W N 1.304 122.555 121.300 -0.082 0.000 2.335 1191 W HA 0.397 5.062 4.660 0.009 0.000 0.306 1191 W C 0.167 176.679 176.519 -0.010 0.000 1.216 1191 W CA -0.882 56.455 57.345 -0.013 0.000 1.237 1191 W CB 0.608 30.103 29.460 0.057 0.000 1.243 1191 W HN -0.146 nan 8.180 nan 0.000 0.493 1192 L N 5.969 127.341 121.223 0.249 0.000 2.282 1192 L HA 0.533 4.878 4.340 0.009 0.000 0.288 1192 L C -0.930 176.037 176.870 0.162 0.000 1.033 1192 L CA -0.883 54.042 54.840 0.141 0.000 0.807 1192 L CB 0.642 42.733 42.059 0.053 0.000 1.209 1192 L HN 0.345 nan 8.230 nan 0.000 0.423 1193 L N 6.042 127.317 121.223 0.087 0.000 2.275 1193 L HA 0.564 4.909 4.340 0.009 0.000 0.288 1193 L C -0.585 176.310 176.870 0.042 0.000 1.046 1193 L CA 0.073 54.953 54.840 0.066 0.000 0.805 1193 L CB 0.774 42.839 42.059 0.009 0.000 1.193 1193 L HN 0.793 nan 8.230 nan 0.000 0.426 1194 R N 5.818 126.363 120.500 0.074 0.000 2.451 1194 R HA 0.594 4.939 4.340 0.009 0.000 0.307 1194 R C -1.778 174.552 176.300 0.051 0.000 0.965 1194 R CA -0.599 55.525 56.100 0.039 0.000 0.865 1194 R CB 0.923 31.228 30.300 0.008 0.000 1.174 1194 R HN 0.746 nan 8.270 nan 0.000 0.455 1195 L N 2.937 124.175 121.223 0.026 0.000 2.325 1195 L HA 0.503 4.848 4.340 0.009 0.000 0.278 1195 L C -0.119 176.764 176.870 0.022 0.000 1.023 1195 L CA -0.656 54.199 54.840 0.025 0.000 0.811 1195 L CB 1.867 43.932 42.059 0.011 0.000 1.249 1195 L HN 0.614 nan 8.230 nan 0.000 0.431 1196 E N 3.426 123.640 120.200 0.024 0.000 2.165 1196 E HA 0.514 4.869 4.350 0.009 0.000 0.266 1196 E C -1.506 175.100 176.600 0.009 0.000 0.889 1196 E CA -0.609 55.803 56.400 0.020 0.000 0.756 1196 E CB 1.495 31.212 29.700 0.029 0.000 1.131 1196 E HN 0.481 nan 8.360 nan 0.000 0.411 1197 L N 2.914 124.137 121.223 0.001 0.000 2.334 1197 L HA 0.360 4.706 4.340 0.009 0.000 0.275 1197 L C 0.224 177.091 176.870 -0.006 0.000 1.036 1197 L CA -1.040 53.795 54.840 -0.009 0.000 0.807 1197 L CB 1.235 43.279 42.059 -0.026 0.000 1.231 1197 L HN 0.544 nan 8.230 nan 0.000 0.438 1198 D N 1.513 121.908 120.400 -0.008 0.000 2.348 1198 D HA 0.035 4.680 4.640 0.009 0.000 0.253 1198 D C 0.936 177.231 176.300 -0.008 0.000 1.161 1198 D CA 0.139 54.136 54.000 -0.005 0.000 0.876 1198 D CB 1.158 41.955 40.800 -0.004 0.000 1.160 1198 D HN 0.394 nan 8.370 nan 0.000 0.459 1199 R N 2.807 123.304 120.500 -0.005 0.000 2.237 1199 R HA -0.085 4.260 4.340 0.009 0.000 0.219 1199 R C 1.580 177.875 176.300 -0.007 0.000 1.080 1199 R CA 1.052 57.148 56.100 -0.006 0.000 0.995 1199 R CB 0.198 30.497 30.300 -0.002 0.000 0.875 1199 R HN 0.524 nan 8.270 nan 0.000 0.462 1200 A N 0.496 123.314 122.820 -0.004 0.000 1.835 1200 A HA 0.002 4.327 4.320 0.009 0.000 0.213 1200 A C 2.275 179.858 177.584 -0.001 0.000 1.210 1200 A CA 1.187 53.224 52.037 -0.001 0.000 0.605 1200 A CB -0.887 18.115 19.000 0.003 0.000 0.860 1200 A HN 0.387 nan 8.150 nan 0.000 0.447 1201 A N -0.863 121.956 122.820 -0.001 0.000 1.908 1201 A HA -0.187 4.138 4.320 0.009 0.000 0.218 1201 A C 2.211 179.788 177.584 -0.011 0.000 1.181 1201 A CA 2.191 54.229 52.037 0.001 0.000 0.627 1201 A CB -0.584 18.412 19.000 -0.006 0.000 0.818 1201 A HN 0.439 nan 8.150 nan 0.000 0.445 1202 M N -0.139 119.448 119.600 -0.022 0.000 2.108 1202 M HA -0.143 4.342 4.480 0.009 0.000 0.261 1202 M C 1.859 178.139 176.300 -0.034 0.000 1.066 1202 M CA 1.404 56.683 55.300 -0.035 0.000 1.107 1202 M CB -1.542 31.036 32.600 -0.038 0.000 1.356 1202 M HN 0.455 nan 8.290 nan 0.000 0.406 1203 N N 0.473 119.158 118.700 -0.025 0.000 2.135 1203 N HA -0.149 4.596 4.740 0.009 0.000 0.186 1203 N C 1.446 176.936 175.510 -0.033 0.000 1.027 1203 N CA 1.183 54.216 53.050 -0.028 0.000 0.849 1203 N CB -0.440 38.035 38.487 -0.021 0.000 1.002 1203 N HN 0.421 nan 8.380 nan 0.000 0.425 1204 D N 1.292 121.682 120.400 -0.018 0.000 2.137 1204 D HA -0.162 4.484 4.640 0.009 0.000 0.189 1204 D C -0.210 176.061 176.300 -0.048 0.000 0.998 1204 D CA 1.170 55.159 54.000 -0.019 0.000 0.839 1204 D CB 0.081 40.906 40.800 0.042 0.000 0.962 1204 D HN 0.209 nan 8.370 nan 0.000 0.446 1205 K N 2.016 122.404 120.400 -0.020 0.000 2.310 1205 K HA 0.089 4.414 4.320 0.009 0.000 0.290 1205 K C -0.565 176.003 176.600 -0.054 0.000 1.077 1205 K CA -0.399 55.867 56.287 -0.035 0.000 0.922 1205 K CB 0.809 33.304 32.500 -0.009 0.000 1.057 1205 K HN 0.136 nan 8.250 nan 0.000 0.479 1206 D N 4.194 124.552 120.400 -0.068 0.000 2.661 1206 D HA -0.110 4.536 4.640 0.009 0.000 0.283 1206 D C -0.242 176.020 176.300 -0.063 0.000 1.470 1206 D CA 1.053 55.013 54.000 -0.066 0.000 1.126 1206 D CB 0.022 40.779 40.800 -0.071 0.000 1.145 1206 D HN 0.329 nan 8.370 nan 0.000 0.572 1207 L N 1.494 122.679 121.223 -0.063 0.000 2.464 1207 L HA 0.248 4.593 4.340 0.009 0.000 0.266 1207 L C -0.091 176.732 176.870 -0.077 0.000 0.965 1207 L CA -0.472 54.324 54.840 -0.074 0.000 0.833 1207 L CB 2.586 44.598 42.059 -0.078 0.000 1.296 1207 L HN 0.026 nan 8.230 nan 0.000 0.405 1208 T N 3.161 117.660 114.554 -0.092 0.000 2.855 1208 T HA 0.276 4.631 4.350 0.009 0.000 0.281 1208 T C 1.168 175.769 174.700 -0.165 0.000 1.007 1208 T CA -0.630 61.413 62.100 -0.095 0.000 1.009 1208 T CB 1.695 70.523 68.868 -0.066 0.000 0.983 1208 T HN 0.440 nan 8.240 nan 0.000 0.455 1209 M N 2.155 121.651 119.600 -0.173 0.000 2.113 1209 M HA -0.132 4.353 4.480 0.009 0.000 0.255 1209 M C 2.525 178.438 176.300 -0.646 0.000 1.073 1209 M CA 2.166 57.261 55.300 -0.341 0.000 1.091 1209 M CB -1.736 30.740 32.600 -0.207 0.000 1.309 1209 M HN 0.855 nan 8.290 nan 0.000 0.407 1210 G N -0.325 108.232 108.800 -0.405 0.000 2.491 1210 G HA2 -0.274 3.691 3.960 0.009 0.000 0.218 1210 G HA3 -0.274 3.691 3.960 0.009 0.000 0.218 1210 G C 1.437 176.110 174.900 -0.379 0.000 1.180 1210 G CA 1.004 45.892 45.100 -0.353 0.000 0.774 1210 G HN 0.609 nan 8.290 nan 0.000 0.562 1211 Q N -0.092 119.567 119.800 -0.234 0.000 2.077 1211 Q HA -0.141 4.204 4.340 0.009 0.000 0.206 1211 Q C 2.875 178.732 176.000 -0.238 0.000 0.989 1211 Q CA 1.868 57.564 55.803 -0.179 0.000 0.853 1211 Q CB -0.490 28.171 28.738 -0.128 0.000 0.907 1211 Q HN 0.449 nan 8.270 nan 0.000 0.418 1212 V N 0.719 120.448 119.914 -0.308 0.000 2.223 1212 V HA -0.224 3.901 4.120 0.009 0.000 0.244 1212 V C 2.345 178.213 176.094 -0.377 0.000 1.045 1212 V CA 2.078 64.200 62.300 -0.296 0.000 1.000 1212 V CB -1.643 30.003 31.823 -0.294 0.000 0.635 1212 V HN 0.544 nan 8.190 nan 0.000 0.445 1213 G N -0.689 107.672 108.800 -0.732 0.000 2.513 1213 G HA2 -0.296 3.669 3.960 0.009 0.000 0.219 1213 G HA3 -0.296 3.669 3.960 0.009 0.000 0.219 1213 G C 1.493 176.159 174.900 -0.391 0.000 1.160 1213 G CA 1.142 45.727 45.100 -0.858 0.000 0.767 1213 G HN 0.601 nan 8.290 nan 0.000 0.571 1214 E N -0.611 119.380 120.200 -0.347 0.000 2.347 1214 E HA -0.005 4.350 4.350 0.009 0.000 0.196 1214 E C 2.556 179.135 176.600 -0.035 0.000 1.008 1214 E CA 0.102 56.472 56.400 -0.051 0.000 0.852 1214 E CB 0.111 29.817 29.700 0.010 0.000 0.783 1214 E HN 0.202 nan 8.360 nan 0.000 0.505 1215 R N 0.751 121.199 120.500 -0.087 0.000 2.100 1215 R HA 0.047 4.392 4.340 0.009 0.000 0.220 1215 R C 1.806 178.100 176.300 -0.010 0.000 1.091 1215 R CA 0.841 56.910 56.100 -0.050 0.000 0.986 1215 R CB -0.177 30.078 30.300 -0.075 0.000 0.888 1215 R HN 0.129 nan 8.270 nan 0.000 0.444 1216 I N 0.239 120.808 120.570 -0.002 0.000 2.252 1216 I HA -0.242 3.933 4.170 0.009 0.000 0.245 1216 I C 2.286 178.536 176.117 0.222 0.000 1.102 1216 I CA 1.258 62.627 61.300 0.116 0.000 1.385 1216 I CB -0.309 37.741 38.000 0.083 0.000 1.064 1216 I HN 0.164 nan 8.210 nan 0.000 0.414 1217 K N 1.174 121.666 120.400 0.153 0.000 1.991 1217 K HA -0.242 4.083 4.320 0.009 0.000 0.212 1217 K C 1.956 178.659 176.600 0.171 0.000 1.049 1217 K CA 1.891 58.293 56.287 0.191 0.000 0.932 1217 K CB -0.164 32.445 32.500 0.182 0.000 0.717 1217 K HN 0.430 nan 8.250 nan 0.000 0.441 1218 Q N -0.389 119.471 119.800 0.100 0.000 2.491 1218 Q HA -0.028 4.317 4.340 0.009 0.000 0.214 1218 Q C 0.533 176.542 176.000 0.014 0.000 0.970 1218 Q CA 0.935 56.773 55.803 0.059 0.000 0.960 1218 Q CB 0.346 29.104 28.738 0.033 0.000 0.996 1218 Q HN 0.124 nan 8.270 nan 0.000 0.524 1219 T N -0.269 114.289 114.554 0.006 0.000 3.045 1219 T HA 0.119 4.475 4.350 0.009 0.000 0.239 1219 T C 0.293 174.822 174.700 -0.285 0.000 1.008 1219 T CA 0.321 62.305 62.100 -0.193 0.000 1.143 1219 T CB 0.050 68.707 68.868 -0.352 0.000 0.894 1219 T HN 0.355 nan 8.240 nan 0.000 0.451 1220 F N 1.900 121.866 119.950 0.028 0.000 2.645 1220 F HA 0.429 4.961 4.527 0.009 0.000 0.300 1220 F C 1.335 177.160 175.800 0.041 0.000 1.115 1220 F CA -0.821 57.200 58.000 0.035 0.000 1.355 1220 F CB -0.462 38.564 39.000 0.042 0.000 1.026 1220 F HN -0.008 nan 8.300 nan 0.000 0.536 1221 K N 0.439 120.934 120.400 0.159 0.000 4.362 1221 K HA -0.368 3.957 4.320 0.009 0.000 0.360 1221 K C 0.056 176.736 176.600 0.133 0.000 0.683 1221 K CA 2.409 58.766 56.287 0.116 0.000 1.248 1221 K CB -0.799 31.742 32.500 0.068 0.000 0.915 1221 K HN 0.228 nan 8.250 nan 0.000 0.740 1222 N N 0.720 119.492 118.700 0.120 0.000 2.648 1222 N HA 0.158 4.903 4.740 0.009 0.000 0.261 1222 N C -1.787 173.784 175.510 0.102 0.000 1.138 1222 N CA 0.057 53.169 53.050 0.103 0.000 0.804 1222 N CB 1.054 39.581 38.487 0.067 0.000 1.237 1222 N HN 0.489 nan 8.380 nan 0.000 0.532 1223 D N 1.681 122.153 120.400 0.120 0.000 4.386 1223 D HA 0.004 4.649 4.640 0.009 0.000 0.140 1223 D C -1.183 175.171 176.300 0.089 0.000 0.722 1223 D CA -0.290 53.772 54.000 0.102 0.000 0.660 1223 D CB -0.982 39.885 40.800 0.112 0.000 1.649 1223 D HN 0.275 nan 8.370 nan 0.000 0.401 1224 L N 0.630 121.905 121.223 0.087 0.000 2.830 1224 L HA 0.625 4.970 4.340 0.009 0.000 0.259 1224 L C -2.434 174.517 176.870 0.134 0.000 0.926 1224 L CA -0.722 54.131 54.840 0.023 0.000 0.993 1224 L CB 1.620 43.557 42.059 -0.203 0.000 1.589 1224 L HN -0.028 nan 8.230 nan 0.000 0.460 1225 F N 5.361 125.278 119.950 -0.054 0.000 2.422 1225 F HA 0.883 5.415 4.527 0.009 0.000 0.333 1225 F C -0.846 174.927 175.800 -0.045 0.000 1.095 1225 F CA -0.726 57.248 58.000 -0.043 0.000 1.038 1225 F CB 1.672 40.641 39.000 -0.052 0.000 1.156 1225 F HN 0.290 nan 8.300 nan 0.000 0.483 1226 V N 6.461 126.072 119.914 -0.505 0.000 2.876 1226 V HA 0.620 4.745 4.120 0.009 0.000 0.312 1226 V C -0.429 175.202 176.094 -0.772 0.000 1.085 1226 V CA -0.861 61.163 62.300 -0.460 0.000 0.945 1226 V CB 2.108 33.924 31.823 -0.012 0.000 1.017 1226 V HN 0.690 nan 8.190 nan 0.000 0.428 1227 I N 2.307 122.572 120.570 -0.507 0.000 2.918 1227 I HA 0.636 4.811 4.170 0.009 0.000 0.301 1227 I C -1.478 174.554 176.117 -0.140 0.000 1.312 1227 I CA -0.411 60.478 61.300 -0.686 0.000 1.007 1227 I CB 2.623 40.135 38.000 -0.812 0.000 1.281 1227 I HN 0.941 nan 8.210 nan 0.000 0.440 1228 W N 2.279 123.492 121.300 -0.145 0.000 2.988 1228 W HA 0.737 5.403 4.660 0.009 0.000 0.355 1228 W C -1.272 175.299 176.519 0.088 0.000 1.233 1228 W CA -0.936 56.393 57.345 -0.027 0.000 1.176 1228 W CB 0.158 29.591 29.460 -0.045 0.000 1.477 1228 W HN 0.460 nan 8.180 nan 0.000 0.582 1229 S N -0.100 115.792 115.700 0.320 0.000 2.646 1229 S HA 0.452 4.928 4.470 0.009 0.000 0.276 1229 S C -0.364 174.393 174.600 0.262 0.000 1.222 1229 S CA -0.881 57.425 58.200 0.175 0.000 1.014 1229 S CB 1.414 64.677 63.200 0.105 0.000 0.991 1229 S HN 0.527 nan 8.310 nan 0.000 0.533 1230 E N 0.695 120.968 120.200 0.122 0.000 2.354 1230 E HA 0.063 4.418 4.350 0.009 0.000 0.269 1230 E C 0.169 176.831 176.600 0.102 0.000 1.036 1230 E CA -0.372 56.105 56.400 0.127 0.000 0.876 1230 E CB 0.414 30.138 29.700 0.040 0.000 1.009 1230 E HN 0.589 nan 8.360 nan 0.000 0.416 1231 D N 2.040 122.497 120.400 0.095 0.000 2.322 1231 D HA -0.190 4.456 4.640 0.009 0.000 0.210 1231 D C 1.025 177.343 176.300 0.031 0.000 0.983 1231 D CA 0.823 54.853 54.000 0.050 0.000 0.902 1231 D CB 0.163 40.981 40.800 0.031 0.000 0.905 1231 D HN 0.363 nan 8.370 nan 0.000 0.483 1232 N N 0.860 119.578 118.700 0.030 0.000 2.135 1232 N HA -0.080 4.665 4.740 0.009 0.000 0.186 1232 N C 0.335 175.853 175.510 0.014 0.000 1.027 1232 N CA 0.562 53.621 53.050 0.016 0.000 0.849 1232 N CB 0.085 38.578 38.487 0.010 0.000 1.002 1232 N HN 0.168 nan 8.380 nan 0.000 0.425 1233 D N 0.906 121.316 120.400 0.017 0.000 2.429 1233 D HA -0.110 4.535 4.640 0.009 0.000 0.233 1233 D C 1.195 177.504 176.300 0.015 0.000 1.202 1233 D CA 0.383 54.391 54.000 0.014 0.000 0.879 1233 D CB 0.501 41.311 40.800 0.017 0.000 1.212 1233 D HN 0.455 nan 8.370 nan 0.000 0.465 1234 E N 0.277 120.484 120.200 0.011 0.000 2.482 1234 E HA -0.056 4.300 4.350 0.009 0.000 0.196 1234 E C -0.073 176.534 176.600 0.013 0.000 1.047 1234 E CA 0.701 57.107 56.400 0.010 0.000 0.869 1234 E CB 0.208 29.913 29.700 0.008 0.000 0.836 1234 E HN 0.171 nan 8.360 nan 0.000 0.520 1235 K N 1.658 122.068 120.400 0.016 0.000 2.621 1235 K HA 0.298 4.623 4.320 0.009 0.000 0.233 1235 K C -0.947 175.670 176.600 0.028 0.000 0.972 1235 K CA -0.411 55.887 56.287 0.018 0.000 0.988 1235 K CB 1.503 34.012 32.500 0.015 0.000 1.187 1235 K HN 0.102 nan 8.250 nan 0.000 0.471 1236 L N 5.223 126.462 121.223 0.027 0.000 2.565 1236 L HA 0.219 4.565 4.340 0.009 0.000 0.275 1236 L C 0.082 176.976 176.870 0.040 0.000 1.137 1236 L CA 0.400 55.263 54.840 0.038 0.000 0.915 1236 L CB -0.385 41.683 42.059 0.014 0.000 1.232 1236 L HN 0.413 nan 8.230 nan 0.000 0.473 1237 I N 4.171 124.782 120.570 0.068 0.000 2.785 1237 I HA 0.519 4.694 4.170 0.009 0.000 0.302 1237 I C -0.338 175.841 176.117 0.103 0.000 1.069 1237 I CA -0.569 60.766 61.300 0.057 0.000 1.045 1237 I CB 2.834 40.851 38.000 0.029 0.000 1.236 1237 I HN 0.395 nan 8.210 nan 0.000 0.429 1238 I N 3.980 124.589 120.570 0.065 0.000 2.499 1238 I HA 0.463 4.638 4.170 0.009 0.000 0.288 1238 I C -0.743 175.381 176.117 0.011 0.000 1.048 1238 I CA -0.636 60.715 61.300 0.085 0.000 1.062 1238 I CB 2.028 40.059 38.000 0.052 0.000 1.238 1238 I HN 0.450 nan 8.210 nan 0.000 0.426 1239 R N 4.440 124.919 120.500 -0.034 0.000 2.562 1239 R HA 0.802 5.147 4.340 0.009 0.000 0.298 1239 R C -1.401 174.813 176.300 -0.143 0.000 0.961 1239 R CA -0.504 55.543 56.100 -0.089 0.000 0.881 1239 R CB 2.121 32.350 30.300 -0.118 0.000 1.159 1239 R HN 0.602 nan 8.270 nan 0.000 0.450 1240 C N 1.171 120.411 119.300 -0.100 0.000 2.994 1240 C HA 0.671 5.136 4.460 0.009 0.000 0.304 1240 C C -0.601 174.369 174.990 -0.032 0.000 1.273 1240 C CA -1.087 57.865 59.018 -0.110 0.000 1.537 1240 C CB 2.116 29.784 27.740 -0.119 0.000 2.001 1240 C HN 0.841 nan 8.230 nan 0.000 0.471 1241 R N 0.671 121.178 120.500 0.012 0.000 2.604 1241 R HA 0.621 4.966 4.340 0.009 0.000 0.270 1241 R C -0.900 175.442 176.300 0.069 0.000 1.052 1241 R CA -0.551 55.594 56.100 0.075 0.000 0.902 1241 R CB 1.608 31.987 30.300 0.131 0.000 1.233 1241 R HN 0.519 nan 8.270 nan 0.000 0.455 1242 V N 1.286 121.240 119.914 0.067 0.000 3.816 1242 V HA 0.404 4.530 4.120 0.009 0.000 0.281 1242 V C 0.414 176.548 176.094 0.067 0.000 1.027 1242 V CA -0.229 62.102 62.300 0.052 0.000 1.032 1242 V CB 1.063 32.926 31.823 0.067 0.000 1.226 1242 V HN 0.574 nan 8.190 nan 0.000 0.448 1255 E N 0.097 120.350 120.200 0.088 0.000 6.582 1255 E HA -0.133 4.222 4.350 0.009 0.000 0.193 1255 E C -0.044 176.596 176.600 0.067 0.000 1.234 1255 E CA 0.732 57.175 56.400 0.071 0.000 1.476 1255 E CB -0.463 29.263 29.700 0.043 0.000 0.955 1255 E HN 0.582 nan 8.360 nan 0.000 0.300 1256 E N 1.295 121.521 120.200 0.043 0.000 2.288 1256 E HA -0.033 4.322 4.350 0.009 0.000 0.200 1256 E C 1.018 177.487 176.600 -0.218 0.000 0.880 1256 E CA 0.142 56.535 56.400 -0.011 0.000 0.971 1256 E CB 0.121 29.920 29.700 0.165 0.000 0.954 1256 E HN 0.410 nan 8.360 nan 0.000 0.489 1257 D N 1.091 121.208 120.400 -0.472 0.000 2.172 1257 D HA -0.219 4.426 4.640 0.009 0.000 0.196 1257 D C 1.778 177.912 176.300 -0.275 0.000 0.999 1257 D CA 1.205 54.867 54.000 -0.564 0.000 0.856 1257 D CB -0.154 40.298 40.800 -0.579 0.000 0.934 1257 D HN 0.238 nan 8.370 nan 0.000 0.453 1258 H N 0.247 119.210 119.070 -0.179 0.000 2.299 1258 H HA 0.065 4.626 4.556 0.009 0.000 0.302 1258 H C 2.357 177.641 175.328 -0.074 0.000 1.078 1258 H CA 0.819 56.805 56.048 -0.102 0.000 1.323 1258 H CB -0.083 29.641 29.762 -0.064 0.000 1.381 1258 H HN 0.135 nan 8.280 nan 0.000 0.498 1259 M N -0.098 119.556 119.600 0.091 0.000 2.159 1259 M HA -0.169 4.316 4.480 0.009 0.000 0.263 1259 M C 1.773 178.078 176.300 0.009 0.000 1.063 1259 M CA 0.825 56.158 55.300 0.056 0.000 1.110 1259 M CB -0.170 32.457 32.600 0.045 0.000 1.374 1259 M HN 0.064 nan 8.290 nan 0.000 0.411 1260 L N 0.157 121.351 121.223 -0.048 0.000 2.693 1260 L HA -0.036 4.309 4.340 0.009 0.000 0.242 1260 L C 1.393 178.222 176.870 -0.067 0.000 1.157 1260 L CA 1.250 56.052 54.840 -0.064 0.000 0.929 1260 L CB -0.559 41.444 42.059 -0.094 0.000 1.103 1260 L HN 0.113 nan 8.230 nan 0.000 0.430 1261 K N -1.956 118.413 120.400 -0.051 0.000 2.567 1261 K HA 0.139 4.464 4.320 0.009 0.000 0.199 1261 K C 1.630 178.231 176.600 0.001 0.000 1.412 1261 K CA -0.055 56.201 56.287 -0.052 0.000 1.020 1261 K CB 0.488 32.914 32.500 -0.124 0.000 1.487 1261 K HN 0.052 nan 8.250 nan 0.000 0.531 1262 K N 1.041 121.465 120.400 0.041 0.000 2.283 1262 K HA 0.029 4.354 4.320 0.009 0.000 0.202 1262 K C 1.777 178.432 176.600 0.091 0.000 1.048 1262 K CA 0.987 57.321 56.287 0.078 0.000 0.948 1262 K CB 0.124 32.691 32.500 0.112 0.000 0.742 1262 K HN 0.127 nan 8.250 nan 0.000 0.458 1263 I N 0.443 121.061 120.570 0.081 0.000 2.585 1263 I HA -0.164 4.011 4.170 0.009 0.000 0.254 1263 I C 2.398 178.568 176.117 0.089 0.000 1.129 1263 I CA 0.643 62.013 61.300 0.116 0.000 1.455 1263 I CB -0.074 37.928 38.000 0.004 0.000 1.111 1263 I HN 0.133 nan 8.210 nan 0.000 0.433 1264 E N 1.701 121.922 120.200 0.034 0.000 2.130 1264 E HA -0.271 4.084 4.350 0.009 0.000 0.196 1264 E C 1.777 178.405 176.600 0.048 0.000 0.998 1264 E CA 1.819 58.235 56.400 0.027 0.000 0.806 1264 E CB -0.186 29.516 29.700 0.003 0.000 0.738 1264 E HN 0.355 nan 8.360 nan 0.000 0.459 1265 N N -0.624 118.108 118.700 0.053 0.000 2.220 1265 N HA -0.029 4.716 4.740 0.009 0.000 0.182 1265 N C 1.641 177.195 175.510 0.073 0.000 1.023 1265 N CA 1.685 54.767 53.050 0.052 0.000 0.856 1265 N CB -0.454 38.057 38.487 0.040 0.000 0.997 1265 N HN 0.239 nan 8.380 nan 0.000 0.429 1266 T N 2.227 116.844 114.554 0.105 0.000 2.699 1266 T HA -0.142 4.213 4.350 0.009 0.000 0.268 1266 T C 2.066 176.837 174.700 0.118 0.000 1.036 1266 T CA 1.163 63.329 62.100 0.109 0.000 1.147 1266 T CB -0.083 68.885 68.868 0.166 0.000 0.862 1266 T HN 0.204 nan 8.240 nan 0.000 0.446 1267 M N 0.372 120.083 119.600 0.185 0.000 2.126 1267 M HA -0.052 4.433 4.480 0.009 0.000 0.259 1267 M C 2.415 178.760 176.300 0.075 0.000 1.073 1267 M CA 1.759 57.156 55.300 0.163 0.000 1.103 1267 M CB -0.837 31.855 32.600 0.155 0.000 1.284 1267 M HN 0.207 nan 8.290 nan 0.000 0.420 1268 L N -0.330 120.927 121.223 0.057 0.000 2.021 1268 L HA -0.267 4.078 4.340 0.009 0.000 0.215 1268 L C 2.041 178.928 176.870 0.028 0.000 1.074 1268 L CA 1.722 56.581 54.840 0.033 0.000 0.760 1268 L CB -0.725 41.351 42.059 0.028 0.000 0.889 1268 L HN 0.467 nan 8.230 nan 0.000 0.433 1269 E N -1.801 118.420 120.200 0.035 0.000 2.413 1269 E HA 0.019 4.374 4.350 0.009 0.000 0.203 1269 E C 1.558 178.182 176.600 0.040 0.000 0.957 1269 E CA -0.095 56.327 56.400 0.037 0.000 0.950 1269 E CB 0.300 30.019 29.700 0.033 0.000 0.957 1269 E HN 0.451 nan 8.360 nan 0.000 0.497 1270 N N 0.863 119.580 118.700 0.028 0.000 2.436 1270 N HA 0.094 4.839 4.740 0.009 0.000 0.178 1270 N C 0.677 176.187 175.510 0.001 0.000 1.026 1270 N CA 0.257 53.315 53.050 0.012 0.000 0.880 1270 N CB 0.681 39.161 38.487 -0.010 0.000 1.061 1270 N HN 0.069 nan 8.380 nan 0.000 0.434 1271 I N 2.353 122.917 120.570 -0.011 0.000 2.664 1271 I HA -0.055 4.120 4.170 0.009 0.000 0.284 1271 I C -0.051 176.051 176.117 -0.024 0.000 1.154 1271 I CA 0.569 61.851 61.300 -0.029 0.000 1.402 1271 I CB 0.225 38.218 38.000 -0.012 0.000 1.395 1271 I HN -0.148 nan 8.210 nan 0.000 0.545 1272 T N 7.961 122.501 114.554 -0.023 0.000 2.747 1272 T HA 0.180 4.535 4.350 0.009 0.000 0.301 1272 T C 1.159 175.814 174.700 -0.076 0.000 0.952 1272 T CA -0.573 61.503 62.100 -0.040 0.000 0.983 1272 T CB 0.955 69.847 68.868 0.040 0.000 0.930 1272 T HN 0.308 nan 8.240 nan 0.000 0.494 1273 L N 2.746 123.898 121.223 -0.119 0.000 2.046 1273 L HA 0.184 4.529 4.340 0.009 0.000 0.208 1273 L C 1.336 178.148 176.870 -0.097 0.000 1.077 1273 L CA 1.602 56.378 54.840 -0.107 0.000 0.747 1273 L CB -0.634 41.353 42.059 -0.120 0.000 0.896 1273 L HN 0.566 nan 8.230 nan 0.000 0.432 1274 R N -2.466 117.965 120.500 -0.115 0.000 2.753 1274 R HA 0.476 4.821 4.340 0.009 0.000 0.272 1274 R C -0.784 175.482 176.300 -0.056 0.000 1.034 1274 R CA 0.078 56.134 56.100 -0.074 0.000 0.869 1274 R CB 0.821 31.079 30.300 -0.070 0.000 1.264 1274 R HN 0.175 nan 8.270 nan 0.000 0.481 1275 G N 0.568 109.369 108.800 0.003 0.000 2.549 1275 G HA2 -0.058 3.907 3.960 0.009 0.000 0.404 1275 G HA3 -0.058 3.907 3.960 0.009 0.000 0.404 1275 G C -1.650 173.317 174.900 0.111 0.000 1.292 1275 G CA -0.439 44.697 45.100 0.060 0.000 0.935 1275 G HN 0.554 nan 8.290 nan 0.000 0.512 1276 V N 1.049 121.037 119.914 0.124 0.000 2.667 1276 V HA 0.596 4.721 4.120 0.009 0.000 0.308 1276 V C 0.770 176.889 176.094 0.041 0.000 1.048 1276 V CA -0.016 62.328 62.300 0.074 0.000 0.928 1276 V CB 1.589 33.431 31.823 0.031 0.000 1.004 1276 V HN 1.129 nan 8.190 nan 0.000 0.444 1277 E N 3.488 123.648 120.200 -0.067 0.000 2.404 1277 E HA 0.209 4.564 4.350 0.009 0.000 0.261 1277 E C 0.241 176.709 176.600 -0.220 0.000 1.074 1277 E CA -0.116 56.113 56.400 -0.285 0.000 0.917 1277 E CB 0.259 29.837 29.700 -0.204 0.000 0.965 1277 E HN 0.646 nan 8.360 nan 0.000 0.433 1278 N N 0.084 118.609 118.700 -0.292 0.000 2.884 1278 N HA -0.216 4.529 4.740 0.009 0.000 0.210 1278 N C -0.168 175.293 175.510 -0.082 0.000 0.941 1278 N CA 1.626 54.586 53.050 -0.150 0.000 1.131 1278 N CB -1.346 37.085 38.487 -0.094 0.000 0.965 1278 N HN 0.605 nan 8.380 nan 0.000 0.591 1279 I N 2.888 123.427 120.570 -0.051 0.000 2.311 1279 I HA 0.018 4.194 4.170 0.009 0.000 0.297 1279 I C 1.500 177.652 176.117 0.059 0.000 1.131 1279 I CA 0.281 61.589 61.300 0.012 0.000 1.289 1279 I CB 0.269 38.289 38.000 0.032 0.000 1.446 1279 I HN 0.143 nan 8.210 nan 0.000 0.524 1280 E N 5.369 125.593 120.200 0.040 0.000 2.013 1280 E HA 0.071 4.426 4.350 0.009 0.000 0.194 1280 E C 0.800 177.426 176.600 0.044 0.000 0.973 1280 E CA 0.444 56.879 56.400 0.058 0.000 0.842 1280 E CB 0.212 29.930 29.700 0.029 0.000 0.801 1280 E HN 0.514 nan 8.360 nan 0.000 0.476 1281 R N 0.204 120.714 120.500 0.017 0.000 2.668 1281 R HA 0.466 4.811 4.340 0.009 0.000 0.268 1281 R C -0.839 175.484 176.300 0.039 0.000 1.232 1281 R CA -0.284 55.816 56.100 -0.002 0.000 1.166 1281 R CB 0.826 31.111 30.300 -0.024 0.000 1.179 1281 R HN 0.025 nan 8.270 nan 0.000 0.606 1282 V N 0.731 120.683 119.914 0.065 0.000 2.859 1282 V HA 0.114 4.239 4.120 0.009 0.000 0.276 1282 V C -1.213 174.963 176.094 0.136 0.000 1.496 1282 V CA -0.741 61.611 62.300 0.086 0.000 0.929 1282 V CB 2.063 33.936 31.823 0.084 0.000 1.147 1282 V HN 0.419 nan 8.190 nan 0.000 0.449 1283 V N 5.253 125.224 119.914 0.095 0.000 2.769 1283 V HA 0.600 4.725 4.120 0.009 0.000 0.312 1283 V C -0.094 176.055 176.094 0.092 0.000 1.061 1283 V CA -0.727 61.642 62.300 0.116 0.000 0.931 1283 V CB 2.276 34.159 31.823 0.100 0.000 1.010 1283 V HN 0.821 nan 8.190 nan 0.000 0.433 1284 M N 5.017 124.695 119.600 0.130 0.000 2.088 1284 M HA 0.547 5.032 4.480 0.009 0.000 0.346 1284 M C -0.892 175.615 176.300 0.345 0.000 1.111 1284 M CA -0.028 55.401 55.300 0.216 0.000 1.017 1284 M CB 1.207 33.898 32.600 0.152 0.000 1.568 1284 M HN 0.422 nan 8.290 nan 0.000 0.445 1285 M N 2.343 122.079 119.600 0.226 0.000 2.535 1285 M HA 0.408 4.893 4.480 0.009 0.000 0.314 1285 M C -0.544 175.689 176.300 -0.112 0.000 1.153 1285 M CA -0.552 54.818 55.300 0.116 0.000 0.924 1285 M CB 2.364 35.050 32.600 0.144 0.000 1.710 1285 M HN 0.515 nan 8.290 nan 0.000 0.451 1286 K N 2.248 122.463 120.400 -0.308 0.000 2.244 1286 K HA 0.338 4.663 4.320 0.009 0.000 0.263 1286 K C -1.086 175.458 176.600 -0.094 0.000 1.103 1286 K CA -0.095 55.853 56.287 -0.565 0.000 0.966 1286 K CB 0.366 32.378 32.500 -0.813 0.000 1.429 1286 K HN 0.538 nan 8.250 nan 0.000 0.434 1287 Y N 1.218 121.390 120.300 -0.213 0.000 2.330 1287 Y HA -0.022 4.533 4.550 0.009 0.000 0.341 1287 Y C 0.840 176.694 175.900 -0.076 0.000 1.278 1287 Y CA -0.563 57.481 58.100 -0.093 0.000 1.453 1287 Y CB 0.774 39.224 38.460 -0.016 0.000 1.342 1287 Y HN 0.432 nan 8.280 nan 0.000 0.590 1288 D N 2.204 122.626 120.400 0.037 0.000 2.193 1288 D HA 0.271 4.917 4.640 0.009 0.000 0.244 1288 D C -0.749 175.584 176.300 0.054 0.000 1.064 1288 D CA -0.364 53.644 54.000 0.013 0.000 0.845 1288 D CB 1.680 42.460 40.800 -0.033 0.000 1.148 1288 D HN 0.397 nan 8.370 nan 0.000 0.464 1289 R N 2.450 122.990 120.500 0.067 0.000 2.515 1289 R HA 0.204 4.549 4.340 0.009 0.000 0.291 1289 R C -0.715 175.637 176.300 0.088 0.000 1.046 1289 R CA -0.690 55.463 56.100 0.088 0.000 0.914 1289 R CB 1.451 31.820 30.300 0.114 0.000 1.191 1289 R HN 0.238 nan 8.270 nan 0.000 0.435 1290 K N 2.208 122.674 120.400 0.110 0.000 2.295 1290 K HA 0.383 4.708 4.320 0.009 0.000 0.270 1290 K C -0.773 175.969 176.600 0.235 0.000 1.011 1290 K CA -0.329 56.068 56.287 0.182 0.000 0.953 1290 K CB 1.497 34.113 32.500 0.194 0.000 0.956 1290 K HN 0.240 nan 8.250 nan 0.000 0.477 1291 V N 3.598 123.627 119.914 0.192 0.000 2.817 1291 V HA 0.184 4.310 4.120 0.009 0.000 0.303 1291 V C -2.567 173.356 176.094 -0.285 0.000 1.151 1291 V CA -1.978 60.317 62.300 -0.008 0.000 0.929 1291 V CB 2.035 33.850 31.823 -0.013 0.000 1.030 1291 V HN 0.667 nan 8.190 nan 0.000 0.427 1292 P HA 0.129 nan 4.420 nan 0.000 0.263 1292 P C -0.347 176.774 177.300 -0.298 0.000 1.195 1292 P CA 0.582 63.281 63.100 -0.669 0.000 0.762 1292 P CB 0.609 31.950 31.700 -0.599 0.000 0.799 1293 S N 5.024 120.596 115.700 -0.213 0.000 2.646 1293 S HA 0.361 4.836 4.470 0.009 0.000 0.276 1293 S C -1.147 173.393 174.600 -0.100 0.000 1.222 1293 S CA -1.875 56.256 58.200 -0.114 0.000 1.014 1293 S CB 0.117 63.277 63.200 -0.067 0.000 0.991 1293 S HN 0.277 nan 8.310 nan 0.000 0.533 1294 P HA -0.142 nan 4.420 nan 0.000 0.217 1294 P C 1.301 178.572 177.300 -0.049 0.000 1.148 1294 P CA 1.588 64.654 63.100 -0.058 0.000 0.834 1294 P CB -0.418 31.259 31.700 -0.039 0.000 0.783 1295 T N -3.096 111.435 114.554 -0.039 0.000 3.160 1295 T HA 0.256 4.612 4.350 0.009 0.000 0.257 1295 T C 1.402 176.088 174.700 -0.023 0.000 1.147 1295 T CA 1.428 63.515 62.100 -0.022 0.000 1.064 1295 T CB -0.687 68.176 68.868 -0.008 0.000 0.949 1295 T HN 0.337 nan 8.240 nan 0.000 0.526 1296 G N 0.723 109.492 108.800 -0.052 0.000 2.493 1296 G HA2 -0.178 3.788 3.960 0.009 0.000 0.206 1296 G HA3 -0.178 3.788 3.960 0.009 0.000 0.206 1296 G C -0.194 174.679 174.900 -0.045 0.000 1.109 1296 G CA -0.120 44.948 45.100 -0.054 0.000 0.689 1296 G HN 0.626 nan 8.290 nan 0.000 0.516 1297 E N 0.523 120.721 120.200 -0.003 0.000 2.404 1297 E HA 0.524 4.879 4.350 0.009 0.000 0.261 1297 E C -0.438 176.174 176.600 0.021 0.000 1.074 1297 E CA -0.276 56.155 56.400 0.052 0.000 0.917 1297 E CB 0.417 30.151 29.700 0.056 0.000 0.965 1297 E HN 0.400 nan 8.360 nan 0.000 0.433 1298 Y N 0.606 120.907 120.300 0.002 0.000 2.319 1298 Y HA 0.303 4.858 4.550 0.009 0.000 0.328 1298 Y C 0.243 176.143 175.900 0.000 0.000 1.133 1298 Y CA -0.265 57.836 58.100 0.000 0.000 1.265 1298 Y CB 0.703 39.165 38.460 0.003 0.000 1.218 1298 Y HN 0.211 nan 8.280 nan 0.000 0.508 1299 V N 3.007 122.982 119.914 0.102 0.000 3.182 1299 V HA 0.460 4.585 4.120 0.009 0.000 0.311 1299 V C -0.859 175.279 176.094 0.074 0.000 1.221 1299 V CA -1.630 60.709 62.300 0.065 0.000 1.060 1299 V CB 2.192 34.026 31.823 0.020 0.000 1.164 1299 V HN 0.500 nan 8.190 nan 0.000 0.466 1300 K N 1.770 122.197 120.400 0.046 0.000 2.389 1300 K HA 0.415 4.740 4.320 0.009 0.000 0.261 1300 K C -0.734 175.881 176.600 0.024 0.000 1.014 1300 K CA -0.197 56.114 56.287 0.039 0.000 0.920 1300 K CB 1.589 34.103 32.500 0.025 0.000 1.149 1300 K HN 0.619 nan 8.250 nan 0.000 0.444 1301 E N 5.393 125.610 120.200 0.028 0.000 2.173 1301 E HA 0.170 4.525 4.350 0.009 0.000 0.249 1301 E C -2.196 174.414 176.600 0.017 0.000 0.923 1301 E CA -2.217 54.195 56.400 0.020 0.000 0.754 1301 E CB 0.767 30.480 29.700 0.021 0.000 1.177 1301 E HN 0.312 nan 8.360 nan 0.000 0.430 1302 P HA -0.060 nan 4.420 nan 0.000 0.267 1302 P C -0.921 176.339 177.300 -0.066 0.000 1.200 1302 P CA 0.358 63.428 63.100 -0.051 0.000 0.772 1302 P CB 0.706 32.343 31.700 -0.104 0.000 0.855 1303 E N 1.068 121.219 120.200 -0.082 0.000 2.356 1303 E HA 0.407 4.762 4.350 0.009 0.000 0.275 1303 E C -1.415 175.083 176.600 -0.170 0.000 0.904 1303 E CA -1.009 55.361 56.400 -0.051 0.000 0.757 1303 E CB 0.737 30.492 29.700 0.092 0.000 1.232 1303 E HN 0.266 nan 8.360 nan 0.000 0.442 1304 W N 1.790 123.105 121.300 0.025 0.000 2.238 1304 W HA 0.465 5.130 4.660 0.009 0.000 0.321 1304 W C -0.554 175.890 176.519 -0.126 0.000 1.293 1304 W CA -0.106 57.218 57.345 -0.036 0.000 1.204 1304 W CB 1.304 30.749 29.460 -0.025 0.000 1.167 1304 W HN 0.260 nan 8.180 nan 0.000 0.553 1305 V N 4.705 124.581 119.914 -0.062 0.000 2.888 1305 V HA 0.396 4.521 4.120 0.009 0.000 0.309 1305 V C -0.451 175.473 176.094 -0.284 0.000 1.114 1305 V CA -1.230 60.832 62.300 -0.398 0.000 0.940 1305 V CB 1.884 33.072 31.823 -1.058 0.000 1.021 1305 V HN 0.273 nan 8.190 nan 0.000 0.426 1306 L N 3.470 124.539 121.223 -0.256 0.000 2.282 1306 L HA 0.601 4.946 4.340 0.009 0.000 0.288 1306 L C -0.020 176.758 176.870 -0.154 0.000 1.033 1306 L CA -0.408 54.354 54.840 -0.131 0.000 0.807 1306 L CB 1.602 43.624 42.059 -0.061 0.000 1.209 1306 L HN 0.637 nan 8.230 nan 0.000 0.423 1307 E N 1.359 121.512 120.200 -0.079 0.000 2.214 1307 E HA 0.454 4.809 4.350 0.009 0.000 0.274 1307 E C -0.768 175.840 176.600 0.013 0.000 0.977 1307 E CA -0.397 55.989 56.400 -0.024 0.000 0.827 1307 E CB 2.222 31.942 29.700 0.035 0.000 1.130 1307 E HN 0.407 nan 8.360 nan 0.000 0.394 1308 T N 1.239 115.809 114.554 0.026 0.000 2.912 1308 T HA 0.250 4.605 4.350 0.009 0.000 0.288 1308 T C -1.062 173.659 174.700 0.034 0.000 1.030 1308 T CA -0.750 61.368 62.100 0.029 0.000 1.020 1308 T CB 0.786 69.668 68.868 0.024 0.000 1.056 1308 T HN 0.276 nan 8.240 nan 0.000 0.480 1309 D N 2.062 122.479 120.400 0.028 0.000 2.863 1309 D HA 0.499 5.144 4.640 0.009 0.000 0.323 1309 D C 0.104 176.413 176.300 0.015 0.000 1.286 1309 D CA 0.024 54.038 54.000 0.023 0.000 0.921 1309 D CB 0.607 41.417 40.800 0.017 0.000 1.024 1309 D HN 0.826 nan 8.370 nan 0.000 0.505 1310 G N -0.780 108.028 108.800 0.013 0.000 2.351 1310 G HA2 0.239 4.204 3.960 0.009 0.000 0.296 1310 G HA3 0.239 4.204 3.960 0.009 0.000 0.296 1310 G C -1.616 173.283 174.900 -0.003 0.000 1.685 1310 G CA -0.628 44.472 45.100 0.000 0.000 0.936 1310 G HN 0.054 nan 8.290 nan 0.000 0.714 1311 V N 2.050 121.955 119.914 -0.014 0.000 2.628 1311 V HA 0.834 4.959 4.120 0.009 0.000 0.306 1311 V C -0.320 175.758 176.094 -0.026 0.000 1.045 1311 V CA -0.854 61.436 62.300 -0.017 0.000 0.905 1311 V CB 2.077 33.888 31.823 -0.021 0.000 0.997 1311 V HN 0.887 nan 8.190 nan 0.000 0.436 1312 N N 3.847 122.534 118.700 -0.021 0.000 3.211 1312 N HA 0.044 4.789 4.740 0.009 0.000 0.183 1312 N C 0.037 175.541 175.510 -0.011 0.000 1.447 1312 N CA -0.320 52.717 53.050 -0.022 0.000 0.840 1312 N CB 0.914 39.386 38.487 -0.026 0.000 1.611 1312 N HN 0.488 nan 8.380 nan 0.000 0.610 1313 L N 2.344 123.560 121.223 -0.012 0.000 1.970 1313 L HA -0.103 4.243 4.340 0.009 0.000 0.212 1313 L C 2.332 179.204 176.870 0.005 0.000 1.071 1313 L CA 2.796 57.636 54.840 -0.001 0.000 0.751 1313 L CB -1.050 41.004 42.059 -0.008 0.000 0.889 1313 L HN 0.573 nan 8.230 nan 0.000 0.432 1314 S N -1.156 114.543 115.700 -0.001 0.000 2.422 1314 S HA -0.345 4.130 4.470 0.009 0.000 0.241 1314 S C 1.776 176.379 174.600 0.005 0.000 1.076 1314 S CA 2.083 60.284 58.200 0.001 0.000 1.066 1314 S CB -0.871 62.326 63.200 -0.005 0.000 0.890 1314 S HN 0.710 nan 8.310 nan 0.000 0.465 1315 E N 0.048 120.249 120.200 0.003 0.000 2.364 1315 E HA 0.132 4.488 4.350 0.009 0.000 0.196 1315 E C 1.920 178.528 176.600 0.012 0.000 0.990 1315 E CA 0.504 56.907 56.400 0.006 0.000 0.886 1315 E CB 0.150 29.851 29.700 0.001 0.000 0.866 1315 E HN 0.456 nan 8.360 nan 0.000 0.493 1316 V N 1.201 121.124 119.914 0.016 0.000 2.591 1316 V HA -0.209 3.916 4.120 0.009 0.000 0.249 1316 V C 2.214 178.326 176.094 0.031 0.000 1.053 1316 V CA 1.226 63.540 62.300 0.023 0.000 1.068 1316 V CB -0.381 31.457 31.823 0.025 0.000 0.689 1316 V HN 0.285 nan 8.190 nan 0.000 0.462 1317 M N 0.773 120.394 119.600 0.034 0.000 2.065 1317 M HA -0.216 4.270 4.480 0.009 0.000 0.259 1317 M C 2.524 178.844 176.300 0.034 0.000 1.069 1317 M CA 2.519 57.844 55.300 0.042 0.000 1.110 1317 M CB -1.066 31.558 32.600 0.039 0.000 1.328 1317 M HN 0.524 nan 8.290 nan 0.000 0.405 1318 T N 0.378 114.947 114.554 0.025 0.000 2.822 1318 T HA -0.067 4.288 4.350 0.009 0.000 0.270 1318 T C 0.739 175.450 174.700 0.019 0.000 1.064 1318 T CA 0.505 62.617 62.100 0.020 0.000 1.131 1318 T CB -0.712 68.165 68.868 0.014 0.000 0.858 1318 T HN 0.132 nan 8.240 nan 0.000 0.483 1319 V N 4.725 124.651 119.914 0.020 0.000 2.814 1319 V HA 0.170 4.295 4.120 0.009 0.000 0.307 1319 V C -1.383 174.722 176.094 0.018 0.000 1.089 1319 V CA -1.085 61.224 62.300 0.016 0.000 1.212 1319 V CB 0.360 32.193 31.823 0.016 0.000 0.912 1319 V HN 0.520 nan 8.190 nan 0.000 0.497 1320 P HA 0.303 nan 4.420 nan 0.000 0.277 1320 P C 0.867 178.173 177.300 0.010 0.000 1.271 1320 P CA 0.697 63.803 63.100 0.010 0.000 0.795 1320 P CB 1.048 32.748 31.700 -0.001 0.000 1.101 1321 G N 0.588 109.397 108.800 0.015 0.000 2.674 1321 G HA2 -0.308 3.657 3.960 0.009 0.000 0.236 1321 G HA3 -0.308 3.657 3.960 0.009 0.000 0.236 1321 G C 0.534 175.466 174.900 0.053 0.000 1.178 1321 G CA 0.583 45.693 45.100 0.016 0.000 0.721 1321 G HN 0.841 nan 8.290 nan 0.000 0.515 1322 I N -0.371 120.230 120.570 0.052 0.000 2.882 1322 I HA 0.567 4.742 4.170 0.009 0.000 0.286 1322 I C -0.156 176.017 176.117 0.093 0.000 1.139 1322 I CA -0.250 61.098 61.300 0.079 0.000 1.379 1322 I CB 0.967 39.011 38.000 0.074 0.000 1.410 1322 I HN 0.063 nan 8.210 nan 0.000 0.594 1323 D N 6.700 127.174 120.400 0.123 0.000 2.456 1323 D HA 0.245 4.890 4.640 0.009 0.000 0.219 1323 D C -1.560 174.798 176.300 0.097 0.000 1.126 1323 D CA -2.453 51.608 54.000 0.102 0.000 0.890 1323 D CB 1.146 42.009 40.800 0.104 0.000 1.025 1323 D HN 0.409 nan 8.370 nan 0.000 0.511 1324 P HA -0.103 nan 4.420 nan 0.000 0.228 1324 P C 1.158 178.494 177.300 0.060 0.000 1.151 1324 P CA 0.624 63.765 63.100 0.069 0.000 0.770 1324 P CB 0.339 32.069 31.700 0.051 0.000 0.786 1325 T N 0.156 114.735 114.554 0.043 0.000 2.904 1325 T HA -0.025 4.330 4.350 0.009 0.000 0.267 1325 T C 1.772 176.477 174.700 0.008 0.000 1.059 1325 T CA 1.166 63.277 62.100 0.019 0.000 1.137 1325 T CB -0.156 68.710 68.868 -0.002 0.000 0.879 1325 T HN 0.308 nan 8.240 nan 0.000 0.467 1326 R N -0.235 120.267 120.500 0.003 0.000 2.307 1326 R HA 0.399 4.744 4.340 0.009 0.000 0.200 1326 R C 0.818 177.189 176.300 0.118 0.000 0.893 1326 R CA -0.257 55.801 56.100 -0.069 0.000 1.042 1326 R CB 0.160 30.245 30.300 -0.359 0.000 1.059 1326 R HN 0.309 nan 8.270 nan 0.000 0.530 1327 I N 1.850 122.555 120.570 0.224 0.000 3.017 1327 I HA -0.259 3.917 4.170 0.009 0.000 0.310 1327 I C -0.438 175.882 176.117 0.338 0.000 1.220 1327 I CA 0.995 62.476 61.300 0.302 0.000 1.450 1327 I CB 0.223 38.331 38.000 0.179 0.000 1.317 1327 I HN 0.048 nan 8.210 nan 0.000 0.570 1328 Y N 5.541 125.972 120.300 0.218 0.000 2.644 1328 Y HA 0.572 5.127 4.550 0.009 0.000 0.338 1328 Y C -0.890 175.100 175.900 0.151 0.000 1.119 1328 Y CA -0.538 57.671 58.100 0.182 0.000 1.060 1328 Y CB 2.070 40.668 38.460 0.230 0.000 1.294 1328 Y HN 0.539 nan 8.280 nan 0.000 0.472 1329 T N 2.288 116.264 114.554 -0.963 0.000 2.942 1329 T HA 0.150 4.505 4.350 0.009 0.000 0.327 1329 T C -0.411 173.827 174.700 -0.769 0.000 1.360 1329 T CA -0.724 61.034 62.100 -0.570 0.000 1.055 1329 T CB 1.096 69.813 68.868 -0.251 0.000 1.261 1329 T HN 0.693 nan 8.240 nan 0.000 0.485 1330 N N -0.037 118.549 118.700 -0.190 0.000 2.461 1330 N HA 0.031 4.776 4.740 0.009 0.000 0.188 1330 N C 0.684 176.284 175.510 0.150 0.000 1.134 1330 N CA -0.116 52.960 53.050 0.043 0.000 0.878 1330 N CB 0.377 38.964 38.487 0.166 0.000 0.972 1330 N HN 0.345 nan 8.380 nan 0.000 0.456 1331 S N 0.699 116.428 115.700 0.048 0.000 3.869 1331 S HA 0.157 4.632 4.470 0.009 0.000 0.241 1331 S C 0.733 175.366 174.600 0.055 0.000 1.363 1331 S CA -0.981 57.258 58.200 0.066 0.000 0.894 1331 S CB -1.283 61.895 63.200 -0.035 0.000 1.519 1331 S HN 0.377 nan 8.310 nan 0.000 0.470 1332 F N 2.170 122.100 119.950 -0.033 0.000 2.115 1332 F HA -0.164 4.369 4.527 0.009 0.000 0.300 1332 F C 1.753 177.553 175.800 -0.000 0.000 1.092 1332 F CA 1.000 58.996 58.000 -0.007 0.000 1.245 1332 F CB -0.755 38.270 39.000 0.042 0.000 0.995 1332 F HN 0.422 nan 8.300 nan 0.000 0.481 1333 I N 1.284 121.523 120.570 -0.552 0.000 2.113 1333 I HA -0.355 3.820 4.170 0.009 0.000 0.242 1333 I C 2.401 178.428 176.117 -0.150 0.000 1.064 1333 I CA 1.910 62.992 61.300 -0.363 0.000 1.320 1333 I CB -0.625 37.123 38.000 -0.421 0.000 1.028 1333 I HN 0.236 nan 8.210 nan 0.000 0.406 1334 D N 0.706 121.027 120.400 -0.132 0.000 2.104 1334 D HA -0.185 4.460 4.640 0.009 0.000 0.194 1334 D C 2.251 178.530 176.300 -0.036 0.000 0.994 1334 D CA 1.442 55.399 54.000 -0.072 0.000 0.830 1334 D CB -0.202 40.558 40.800 -0.067 0.000 0.959 1334 D HN 0.357 nan 8.370 nan 0.000 0.452 1335 I N 1.035 121.593 120.570 -0.021 0.000 2.335 1335 I HA -0.275 3.901 4.170 0.009 0.000 0.251 1335 I C 2.483 178.622 176.117 0.036 0.000 1.129 1335 I CA 0.649 61.958 61.300 0.015 0.000 1.402 1335 I CB -0.184 37.839 38.000 0.039 0.000 1.069 1335 I HN 0.102 nan 8.210 nan 0.000 0.424 1336 M N 1.229 120.848 119.600 0.032 0.000 2.101 1336 M HA -0.249 4.236 4.480 0.009 0.000 0.259 1336 M C 2.048 178.358 176.300 0.017 0.000 1.083 1336 M CA 2.019 57.340 55.300 0.036 0.000 1.114 1336 M CB -0.402 32.214 32.600 0.026 0.000 1.281 1336 M HN 0.049 nan 8.290 nan 0.000 0.422 1337 E N -0.352 119.845 120.200 -0.005 0.000 2.208 1337 E HA -0.238 4.117 4.350 0.009 0.000 0.202 1337 E C 1.895 178.495 176.600 0.001 0.000 1.014 1337 E CA 1.773 58.169 56.400 -0.007 0.000 0.819 1337 E CB -0.416 29.271 29.700 -0.021 0.000 0.735 1337 E HN 0.466 nan 8.360 nan 0.000 0.469 1338 V N 0.281 120.198 119.914 0.004 0.000 2.492 1338 V HA -0.073 4.052 4.120 0.009 0.000 0.241 1338 V C 1.855 177.961 176.094 0.018 0.000 1.041 1338 V CA 0.986 63.291 62.300 0.009 0.000 1.057 1338 V CB 0.012 31.839 31.823 0.007 0.000 0.711 1338 V HN 0.192 nan 8.190 nan 0.000 0.468 1339 L N -0.213 121.026 121.223 0.027 0.000 2.640 1339 L HA 0.565 4.910 4.340 0.009 0.000 0.230 1339 L C 0.918 177.809 176.870 0.036 0.000 1.123 1339 L CA 0.635 55.496 54.840 0.034 0.000 0.900 1339 L CB 0.057 42.144 42.059 0.047 0.000 1.146 1339 L HN 0.497 nan 8.230 nan 0.000 0.484 1340 G N 0.307 109.128 108.800 0.035 0.000 2.541 1340 G HA2 -0.192 3.773 3.960 0.009 0.000 0.686 1340 G HA3 -0.192 3.773 3.960 0.009 0.000 0.686 1340 G C -0.027 174.902 174.900 0.049 0.000 1.286 1340 G CA -0.172 44.950 45.100 0.037 0.000 0.894 1340 G HN -0.015 nan 8.290 nan 0.000 0.575 1341 I N -0.417 120.183 120.570 0.050 0.000 2.480 1341 I HA 0.061 4.237 4.170 0.009 0.000 0.251 1341 I C 2.313 178.473 176.117 0.072 0.000 1.124 1341 I CA 1.129 62.467 61.300 0.064 0.000 1.444 1341 I CB -0.101 37.936 38.000 0.060 0.000 1.098 1341 I HN 0.630 nan 8.210 nan 0.000 0.428 1342 E N 1.239 121.475 120.200 0.061 0.000 2.171 1342 E HA -0.238 4.117 4.350 0.009 0.000 0.197 1342 E C 2.107 178.748 176.600 0.068 0.000 0.997 1342 E CA 1.416 57.852 56.400 0.060 0.000 0.810 1342 E CB -0.120 29.607 29.700 0.046 0.000 0.738 1342 E HN 0.649 nan 8.360 nan 0.000 0.467 1343 A N 0.532 123.395 122.820 0.072 0.000 1.854 1343 A HA -0.012 4.313 4.320 0.009 0.000 0.214 1343 A C 2.500 180.156 177.584 0.121 0.000 1.192 1343 A CA 1.674 53.764 52.037 0.088 0.000 0.611 1343 A CB -1.076 17.974 19.000 0.083 0.000 0.832 1343 A HN 0.336 nan 8.150 nan 0.000 0.442 1344 G N -0.236 108.637 108.800 0.121 0.000 2.513 1344 G HA2 -0.359 3.607 3.960 0.009 0.000 0.219 1344 G HA3 -0.359 3.607 3.960 0.009 0.000 0.219 1344 G C 1.758 176.765 174.900 0.178 0.000 1.160 1344 G CA 1.303 46.502 45.100 0.165 0.000 0.767 1344 G HN 0.546 nan 8.290 nan 0.000 0.571 1345 R N 0.705 121.288 120.500 0.138 0.000 2.094 1345 R HA -0.129 4.216 4.340 0.009 0.000 0.239 1345 R C 2.937 179.323 176.300 0.144 0.000 1.137 1345 R CA 1.820 57.995 56.100 0.126 0.000 0.943 1345 R CB -0.656 29.700 30.300 0.094 0.000 0.850 1345 R HN 0.312 nan 8.270 nan 0.000 0.433 1346 A N 0.838 123.736 122.820 0.130 0.000 1.859 1346 A HA -0.280 4.045 4.320 0.009 0.000 0.218 1346 A C 2.426 180.142 177.584 0.221 0.000 1.242 1346 A CA 2.686 54.807 52.037 0.140 0.000 0.661 1346 A CB -1.403 17.662 19.000 0.108 0.000 0.842 1346 A HN 0.617 nan 8.150 nan 0.000 0.455 1347 A N -0.929 122.041 122.820 0.250 0.000 1.884 1347 A HA -0.165 4.160 4.320 0.009 0.000 0.219 1347 A C 2.160 179.850 177.584 0.177 0.000 1.197 1347 A CA 2.189 54.415 52.037 0.316 0.000 0.637 1347 A CB -0.892 18.304 19.000 0.326 0.000 0.827 1347 A HN 1.035 nan 8.150 nan 0.000 0.450 1348 L N -1.482 119.797 121.223 0.093 0.000 2.064 1348 L HA -0.253 4.092 4.340 0.009 0.000 0.216 1348 L C 2.276 179.118 176.870 -0.046 0.000 1.077 1348 L CA 2.794 57.552 54.840 -0.135 0.000 0.766 1348 L CB -0.897 41.149 42.059 -0.022 0.000 0.890 1348 L HN 0.604 nan 8.230 nan 0.000 0.435 1349 Y N -0.198 120.096 120.300 -0.010 0.000 2.176 1349 Y HA -0.189 4.366 4.550 0.009 0.000 0.291 1349 Y C 2.721 178.676 175.900 0.092 0.000 1.122 1349 Y CA 1.914 60.033 58.100 0.031 0.000 1.128 1349 Y CB -0.239 38.252 38.460 0.052 0.000 1.005 1349 Y HN 0.147 nan 8.280 nan 0.000 0.509 1350 K N 0.160 120.828 120.400 0.446 0.000 2.107 1350 K HA -0.313 4.012 4.320 0.009 0.000 0.211 1350 K C 1.854 178.566 176.600 0.187 0.000 1.049 1350 K CA 2.140 58.617 56.287 0.317 0.000 0.927 1350 K CB -0.143 32.508 32.500 0.253 0.000 0.714 1350 K HN 0.323 nan 8.250 nan 0.000 0.452 1351 E N -0.052 120.217 120.200 0.115 0.000 1.998 1351 E HA -0.125 4.231 4.350 0.009 0.000 0.195 1351 E C 1.884 178.464 176.600 -0.034 0.000 0.994 1351 E CA 1.405 57.828 56.400 0.037 0.000 0.835 1351 E CB -0.571 29.062 29.700 -0.111 0.000 0.786 1351 E HN 0.059 nan 8.360 nan 0.000 0.467 1352 V N 0.901 120.735 119.914 -0.134 0.000 2.257 1352 V HA -0.382 3.744 4.120 0.009 0.000 0.257 1352 V C 2.196 178.198 176.094 -0.153 0.000 1.077 1352 V CA 2.534 64.739 62.300 -0.158 0.000 1.063 1352 V CB -0.909 30.793 31.823 -0.202 0.000 0.664 1352 V HN 0.436 nan 8.190 nan 0.000 0.450 1353 Y N 1.536 121.610 120.300 -0.377 0.000 2.002 1353 Y HA -0.354 4.201 4.550 0.009 0.000 0.268 1353 Y C 2.648 178.479 175.900 -0.114 0.000 1.177 1353 Y CA 2.459 60.372 58.100 -0.312 0.000 1.111 1353 Y CB -0.657 37.576 38.460 -0.379 0.000 0.952 1353 Y HN 0.284 nan 8.280 nan 0.000 0.491 1354 N N -0.041 118.716 118.700 0.095 0.000 2.137 1354 N HA -0.217 4.528 4.740 0.009 0.000 0.190 1354 N C 1.920 177.383 175.510 -0.078 0.000 1.017 1354 N CA 1.712 54.779 53.050 0.028 0.000 0.859 1354 N CB -0.441 38.126 38.487 0.134 0.000 1.002 1354 N HN 0.342 nan 8.380 nan 0.000 0.428 1355 V N 1.868 121.736 119.914 -0.076 0.000 2.255 1355 V HA -0.208 3.917 4.120 0.009 0.000 0.247 1355 V C 2.240 178.263 176.094 -0.118 0.000 1.051 1355 V CA 1.408 63.663 62.300 -0.076 0.000 1.018 1355 V CB -0.276 31.505 31.823 -0.069 0.000 0.641 1355 V HN 0.238 nan 8.190 nan 0.000 0.445 1356 I N 0.023 120.485 120.570 -0.180 0.000 2.439 1356 I HA -0.127 4.048 4.170 0.009 0.000 0.251 1356 I C 2.404 178.382 176.117 -0.232 0.000 1.139 1356 I CA 1.311 62.492 61.300 -0.200 0.000 1.438 1356 I CB -0.452 37.411 38.000 -0.227 0.000 1.085 1356 I HN 0.279 nan 8.210 nan 0.000 0.427 1357 A N 0.505 123.110 122.820 -0.358 0.000 2.081 1357 A HA -0.064 4.261 4.320 0.009 0.000 0.214 1357 A C 2.381 179.871 177.584 -0.157 0.000 1.158 1357 A CA 0.981 52.825 52.037 -0.322 0.000 0.724 1357 A CB -0.474 18.151 19.000 -0.624 0.000 0.826 1357 A HN 0.451 nan 8.150 nan 0.000 0.463 1358 S N -0.229 115.398 115.700 -0.122 0.000 2.469 1358 S HA -0.132 4.343 4.470 0.009 0.000 0.238 1358 S C 1.017 175.588 174.600 -0.049 0.000 0.998 1358 S CA 1.269 59.435 58.200 -0.058 0.000 0.957 1358 S CB -0.306 62.873 63.200 -0.036 0.000 0.764 1358 S HN 0.525 nan 8.310 nan 0.000 0.514 1359 D N 0.938 121.300 120.400 -0.064 0.000 2.370 1359 D HA 0.253 4.898 4.640 0.009 0.000 0.230 1359 D C 1.499 177.775 176.300 -0.040 0.000 1.143 1359 D CA 0.550 54.522 54.000 -0.047 0.000 0.834 1359 D CB 0.050 40.818 40.800 -0.053 0.000 0.944 1359 D HN 0.552 nan 8.370 nan 0.000 0.504 1360 G N 0.822 109.597 108.800 -0.042 0.000 2.451 1360 G HA2 -0.329 3.637 3.960 0.009 0.000 0.253 1360 G HA3 -0.329 3.637 3.960 0.009 0.000 0.253 1360 G C 0.745 175.637 174.900 -0.014 0.000 1.033 1360 G CA 0.665 45.750 45.100 -0.025 0.000 0.633 1360 G HN 0.392 nan 8.290 nan 0.000 0.537 1361 S N 0.169 115.854 115.700 -0.026 0.000 2.568 1361 S HA 0.486 4.961 4.470 0.009 0.000 0.282 1361 S C -0.221 174.388 174.600 0.016 0.000 1.338 1361 S CA 0.185 58.380 58.200 -0.009 0.000 1.045 1361 S CB 1.011 64.184 63.200 -0.045 0.000 0.873 1361 S HN 0.769 nan 8.310 nan 0.000 0.516 1362 Y N 1.873 122.136 120.300 -0.061 0.000 2.549 1362 Y HA 0.711 5.267 4.550 0.009 0.000 0.339 1362 Y C -1.059 174.839 175.900 -0.003 0.000 1.053 1362 Y CA -1.116 56.962 58.100 -0.036 0.000 1.105 1362 Y CB 1.065 39.531 38.460 0.009 0.000 1.258 1362 Y HN 0.368 nan 8.280 nan 0.000 0.478 1363 V N 4.206 123.492 119.914 -1.047 0.000 2.817 1363 V HA 0.196 4.321 4.120 0.009 0.000 0.303 1363 V C -0.808 174.767 176.094 -0.865 0.000 1.151 1363 V CA -1.418 60.416 62.300 -0.777 0.000 0.929 1363 V CB 1.777 33.413 31.823 -0.312 0.000 1.030 1363 V HN 0.891 nan 8.190 nan 0.000 0.427 1364 N N 2.254 120.695 118.700 -0.432 0.000 2.407 1364 N HA 0.013 4.758 4.740 0.009 0.000 0.250 1364 N C 0.914 176.561 175.510 0.228 0.000 1.236 1364 N CA 0.119 53.202 53.050 0.055 0.000 0.879 1364 N CB 0.492 39.097 38.487 0.197 0.000 1.088 1364 N HN 0.696 nan 8.380 nan 0.000 0.450 1365 Y N 4.572 125.018 120.300 0.244 0.000 1.930 1365 Y HA -0.441 4.114 4.550 0.009 0.000 0.241 1365 Y C 2.285 178.272 175.900 0.145 0.000 1.104 1365 Y CA 2.814 61.085 58.100 0.286 0.000 1.060 1365 Y CB -0.514 38.075 38.460 0.215 0.000 0.932 1365 Y HN 0.758 nan 8.280 nan 0.000 0.496 1366 R N -0.882 119.619 120.500 0.002 0.000 2.301 1366 R HA -0.388 3.957 4.340 0.009 0.000 0.250 1366 R C 1.901 178.088 176.300 -0.188 0.000 1.102 1366 R CA 2.292 58.242 56.100 -0.249 0.000 0.933 1366 R CB -1.947 28.080 30.300 -0.454 0.000 0.955 1366 R HN 0.570 nan 8.270 nan 0.000 0.439 1367 H N 0.733 119.804 119.070 0.002 0.000 2.252 1367 H HA -0.141 4.420 4.556 0.009 0.000 0.292 1367 H C 2.395 177.697 175.328 -0.043 0.000 1.082 1367 H CA 2.339 58.387 56.048 -0.000 0.000 1.229 1367 H CB -0.462 29.284 29.762 -0.026 0.000 1.353 1367 H HN 0.359 nan 8.280 nan 0.000 0.488 1368 M N 0.052 119.703 119.600 0.085 0.000 2.175 1368 M HA -0.089 4.396 4.480 0.009 0.000 0.264 1368 M C 2.801 179.099 176.300 -0.003 0.000 1.063 1368 M CA 1.140 56.446 55.300 0.010 0.000 1.119 1368 M CB -0.255 32.315 32.600 -0.050 0.000 1.377 1368 M HN 0.248 nan 8.290 nan 0.000 0.415 1369 A N 1.142 123.887 122.820 -0.126 0.000 1.863 1369 A HA -0.264 4.061 4.320 0.009 0.000 0.218 1369 A C 2.104 179.629 177.584 -0.099 0.000 1.233 1369 A CA 2.147 54.017 52.037 -0.278 0.000 0.655 1369 A CB -1.264 17.323 19.000 -0.688 0.000 0.839 1369 A HN 0.442 nan 8.150 nan 0.000 0.454 1370 L N -0.793 120.393 121.223 -0.062 0.000 2.030 1370 L HA -0.242 4.103 4.340 0.009 0.000 0.222 1370 L C 2.355 179.211 176.870 -0.023 0.000 1.082 1370 L CA 2.620 57.454 54.840 -0.009 0.000 0.785 1370 L CB -0.779 41.303 42.059 0.038 0.000 0.895 1370 L HN 0.504 nan 8.230 nan 0.000 0.439 1371 L N -1.212 119.996 121.223 -0.025 0.000 1.944 1371 L HA -0.218 4.127 4.340 0.009 0.000 0.218 1371 L C 2.428 179.283 176.870 -0.024 0.000 1.075 1371 L CA 2.334 57.150 54.840 -0.040 0.000 0.767 1371 L CB -1.062 40.970 42.059 -0.045 0.000 0.890 1371 L HN 0.138 nan 8.230 nan 0.000 0.434 1372 V N 0.445 120.357 119.914 -0.003 0.000 2.231 1372 V HA -0.408 3.717 4.120 0.009 0.000 0.250 1372 V C 2.428 178.538 176.094 0.027 0.000 1.058 1372 V CA 2.251 64.566 62.300 0.025 0.000 1.022 1372 V CB -1.028 30.838 31.823 0.072 0.000 0.640 1372 V HN 0.556 nan 8.190 nan 0.000 0.445 1373 D N -0.042 120.366 120.400 0.014 0.000 2.106 1373 D HA -0.168 4.478 4.640 0.009 0.000 0.191 1373 D C 2.169 178.473 176.300 0.006 0.000 0.997 1373 D CA 1.786 55.795 54.000 0.015 0.000 0.834 1373 D CB -0.463 40.339 40.800 0.003 0.000 0.956 1373 D HN 0.337 nan 8.370 nan 0.000 0.448 1374 V N 1.009 120.915 119.914 -0.014 0.000 2.546 1374 V HA -0.232 3.893 4.120 0.009 0.000 0.254 1374 V C 2.369 178.459 176.094 -0.006 0.000 1.076 1374 V CA 1.245 63.529 62.300 -0.027 0.000 1.087 1374 V CB -0.347 31.438 31.823 -0.064 0.000 0.674 1374 V HN 0.243 nan 8.190 nan 0.000 0.470 1375 M N -1.567 118.039 119.600 0.009 0.000 2.558 1375 M HA -0.039 4.446 4.480 0.009 0.000 0.255 1375 M C 1.662 178.000 176.300 0.063 0.000 1.113 1375 M CA 0.997 56.321 55.300 0.041 0.000 1.097 1375 M CB 0.224 32.852 32.600 0.047 0.000 1.426 1375 M HN 0.286 nan 8.290 nan 0.000 0.488 1376 T N -1.066 113.519 114.554 0.053 0.000 3.043 1376 T HA 0.053 4.409 4.350 0.009 0.000 0.272 1376 T C 1.496 176.228 174.700 0.052 0.000 0.990 1376 T CA 0.802 62.941 62.100 0.064 0.000 0.897 1376 T CB 0.199 69.111 68.868 0.073 0.000 1.111 1376 T HN 0.487 nan 8.240 nan 0.000 0.529 1377 T N 0.269 114.845 114.554 0.036 0.000 2.821 1377 T HA -0.016 4.339 4.350 0.009 0.000 0.267 1377 T C 1.491 176.212 174.700 0.035 0.000 1.046 1377 T CA 0.782 62.900 62.100 0.031 0.000 1.139 1377 T CB -0.331 68.541 68.868 0.007 0.000 0.871 1377 T HN 0.258 nan 8.240 nan 0.000 0.454 1378 Q N 1.386 121.206 119.800 0.034 0.000 2.294 1378 Q HA 0.241 4.587 4.340 0.009 0.000 0.207 1378 Q C 1.665 177.688 176.000 0.039 0.000 0.887 1378 Q CA 0.224 56.047 55.803 0.035 0.000 0.987 1378 Q CB -0.882 27.877 28.738 0.035 0.000 1.101 1378 Q HN 0.833 nan 8.270 nan 0.000 0.447 1379 G N -0.305 108.521 108.800 0.043 0.000 2.300 1379 G HA2 -0.342 3.623 3.960 0.009 0.000 0.267 1379 G HA3 -0.342 3.623 3.960 0.009 0.000 0.267 1379 G C 0.443 175.371 174.900 0.046 0.000 0.980 1379 G CA 0.457 45.583 45.100 0.044 0.000 0.635 1379 G HN 0.613 nan 8.290 nan 0.000 0.552 1380 G N -1.487 107.342 108.800 0.048 0.000 3.140 1380 G HA2 0.639 4.604 3.960 0.009 0.000 0.271 1380 G HA3 0.639 4.604 3.960 0.009 0.000 0.271 1380 G C -0.594 174.346 174.900 0.067 0.000 1.370 1380 G CA -1.042 44.087 45.100 0.050 0.000 1.014 1380 G HN 0.572 nan 8.290 nan 0.000 0.541 1381 L N 1.698 122.963 121.223 0.070 0.000 2.288 1381 L HA 0.296 4.641 4.340 0.009 0.000 0.283 1381 L C -0.044 176.885 176.870 0.098 0.000 1.072 1381 L CA -0.267 54.635 54.840 0.103 0.000 0.862 1381 L CB 0.740 42.859 42.059 0.101 0.000 1.245 1381 L HN 0.313 nan 8.230 nan 0.000 0.432 1382 T N 1.264 115.878 114.554 0.101 0.000 2.728 1382 T HA 0.194 4.549 4.350 0.009 0.000 0.296 1382 T C 0.544 175.319 174.700 0.126 0.000 0.940 1382 T CA -0.559 61.602 62.100 0.102 0.000 1.013 1382 T CB 0.958 69.880 68.868 0.090 0.000 0.912 1382 T HN 0.653 nan 8.240 nan 0.000 0.484 1383 S N 2.207 117.988 115.700 0.135 0.000 2.580 1383 S HA 0.106 4.581 4.470 0.009 0.000 0.266 1383 S C 1.174 175.887 174.600 0.188 0.000 1.354 1383 S CA -0.831 57.460 58.200 0.151 0.000 1.008 1383 S CB 0.494 63.782 63.200 0.147 0.000 0.898 1383 S HN 0.412 nan 8.310 nan 0.000 0.555 1384 V N 1.163 121.179 119.914 0.171 0.000 3.633 1384 V HA 0.084 4.209 4.120 0.009 0.000 0.283 1384 V C 0.984 177.270 176.094 0.320 0.000 1.305 1384 V CA 0.388 62.812 62.300 0.207 0.000 1.153 1384 V CB -1.650 30.198 31.823 0.041 0.000 0.950 1384 V HN 0.939 nan 8.190 nan 0.000 0.432 1385 T N 0.746 115.394 114.554 0.157 0.000 2.770 1385 T HA 0.179 4.535 4.350 0.009 0.000 0.281 1385 T C 1.603 176.155 174.700 -0.247 0.000 0.981 1385 T CA -0.464 61.634 62.100 -0.003 0.000 0.955 1385 T CB 0.853 69.635 68.868 -0.144 0.000 1.060 1385 T HN 0.446 nan 8.240 nan 0.000 0.531 1386 R N 0.528 120.833 120.500 -0.325 0.000 2.092 1386 R HA -0.116 4.229 4.340 0.009 0.000 0.231 1386 R C 1.452 177.550 176.300 -0.337 0.000 1.119 1386 R CA 1.435 57.308 56.100 -0.379 0.000 0.970 1386 R CB -0.825 29.418 30.300 -0.095 0.000 0.864 1386 R HN 0.620 nan 8.270 nan 0.000 0.440 1387 H N 0.245 119.271 119.070 -0.074 0.000 2.557 1387 H HA 0.045 4.607 4.556 0.009 0.000 0.287 1387 H C 1.734 177.023 175.328 -0.065 0.000 1.043 1387 H CA 1.214 57.231 56.048 -0.053 0.000 1.226 1387 H CB -0.204 29.555 29.762 -0.005 0.000 1.361 1387 H HN 0.561 nan 8.280 nan 0.000 0.592 1388 G N 0.395 109.169 108.800 -0.044 0.000 2.613 1388 G HA2 0.009 3.974 3.960 0.009 0.000 0.218 1388 G HA3 0.009 3.974 3.960 0.009 0.000 0.218 1388 G C 1.220 176.095 174.900 -0.042 0.000 1.508 1388 G CA 0.256 45.357 45.100 0.002 0.000 0.788 1388 G HN 0.361 nan 8.290 nan 0.000 0.603 1389 F N 1.259 121.149 119.950 -0.099 0.000 2.661 1389 F HA 0.326 4.858 4.527 0.009 0.000 0.298 1389 F C 1.622 177.332 175.800 -0.150 0.000 1.137 1389 F CA 0.661 58.583 58.000 -0.131 0.000 1.454 1389 F CB -0.393 38.500 39.000 -0.178 0.000 1.103 1389 F HN 0.069 nan 8.300 nan 0.000 0.577 1390 N N 0.566 118.819 118.700 -0.745 0.000 2.446 1390 N HA -0.002 4.743 4.740 0.009 0.000 0.179 1390 N C 1.878 177.268 175.510 -0.199 0.000 1.054 1390 N CA 0.303 53.076 53.050 -0.463 0.000 0.905 1390 N CB -0.168 38.012 38.487 -0.512 0.000 0.973 1390 N HN 0.327 nan 8.380 nan 0.000 0.448 1391 R N 0.768 121.174 120.500 -0.158 0.000 2.093 1391 R HA -0.094 4.251 4.340 0.009 0.000 0.224 1391 R C 1.725 177.998 176.300 -0.045 0.000 1.101 1391 R CA 1.317 57.370 56.100 -0.077 0.000 0.979 1391 R CB -0.156 30.115 30.300 -0.048 0.000 0.877 1391 R HN 0.240 nan 8.270 nan 0.000 0.441 1392 S N 0.856 116.540 115.700 -0.027 0.000 2.709 1392 S HA -0.347 4.129 4.470 0.009 0.000 0.340 1392 S C 0.697 175.298 174.600 0.001 0.000 1.366 1392 S CA 2.050 60.254 58.200 0.007 0.000 1.096 1392 S CB -0.688 62.535 63.200 0.037 0.000 1.016 1392 S HN 0.724 nan 8.310 nan 0.000 0.459 1393 N N -1.437 117.257 118.700 -0.011 0.000 2.963 1393 N HA -0.100 4.645 4.740 0.009 0.000 0.183 1393 N C -0.243 175.259 175.510 -0.014 0.000 0.994 1393 N CA 0.965 54.009 53.050 -0.010 0.000 1.070 1393 N CB -1.901 36.585 38.487 -0.003 0.000 0.991 1393 N HN 0.593 nan 8.380 nan 0.000 0.543 1394 T N 0.806 115.351 114.554 -0.015 0.000 2.766 1394 T HA 0.440 4.795 4.350 0.009 0.000 0.295 1394 T C 1.278 175.963 174.700 -0.025 0.000 1.024 1394 T CA 0.491 62.583 62.100 -0.014 0.000 1.018 1394 T CB 0.635 69.500 68.868 -0.005 0.000 1.002 1394 T HN 0.314 nan 8.240 nan 0.000 0.532 1395 G N -0.224 108.566 108.800 -0.016 0.000 2.690 1395 G HA2 0.359 4.324 3.960 0.009 0.000 0.239 1395 G HA3 0.359 4.324 3.960 0.009 0.000 0.239 1395 G C 1.202 176.071 174.900 -0.051 0.000 1.233 1395 G CA -0.132 44.958 45.100 -0.015 0.000 0.847 1395 G HN 0.844 nan 8.290 nan 0.000 0.588 1396 A N 0.934 123.697 122.820 -0.094 0.000 1.877 1396 A HA -0.066 4.259 4.320 0.009 0.000 0.216 1396 A C 2.476 179.965 177.584 -0.158 0.000 1.186 1396 A CA 1.481 53.385 52.037 -0.222 0.000 0.620 1396 A CB -0.501 18.164 19.000 -0.558 0.000 0.822 1396 A HN 0.601 nan 8.150 nan 0.000 0.443 1397 L N -1.213 119.971 121.223 -0.065 0.000 2.081 1397 L HA -0.276 4.069 4.340 0.009 0.000 0.212 1397 L C 2.918 179.779 176.870 -0.016 0.000 1.080 1397 L CA 1.674 56.502 54.840 -0.020 0.000 0.754 1397 L CB -0.587 41.497 42.059 0.042 0.000 0.893 1397 L HN 0.456 nan 8.230 nan 0.000 0.433 1398 M N -0.509 119.085 119.600 -0.009 0.000 2.065 1398 M HA -0.241 4.244 4.480 0.009 0.000 0.259 1398 M C 2.519 178.831 176.300 0.021 0.000 1.071 1398 M CA 1.915 57.221 55.300 0.010 0.000 1.109 1398 M CB -0.439 32.167 32.600 0.009 0.000 1.313 1398 M HN 0.182 nan 8.290 nan 0.000 0.408 1399 R N -0.810 119.682 120.500 -0.013 0.000 2.139 1399 R HA -0.173 4.172 4.340 0.009 0.000 0.243 1399 R C 2.278 178.583 176.300 0.008 0.000 1.145 1399 R CA 1.447 57.536 56.100 -0.017 0.000 0.976 1399 R CB -1.025 29.230 30.300 -0.075 0.000 0.866 1399 R HN 0.457 nan 8.270 nan 0.000 0.449 1400 C N 0.848 120.129 119.300 -0.032 0.000 2.398 1400 C HA -0.121 4.345 4.460 0.009 0.000 0.276 1400 C C 2.571 177.566 174.990 0.008 0.000 1.222 1400 C CA 1.612 60.605 59.018 -0.042 0.000 1.746 1400 C CB -0.843 26.861 27.740 -0.060 0.000 2.039 1400 C HN 0.602 nan 8.230 nan 0.000 0.470 1401 S N -1.656 114.073 115.700 0.048 0.000 2.881 1401 S HA 0.142 4.617 4.470 0.009 0.000 0.228 1401 S C -0.148 174.557 174.600 0.176 0.000 0.965 1401 S CA 0.064 58.310 58.200 0.078 0.000 0.998 1401 S CB -0.607 62.637 63.200 0.073 0.000 0.795 1401 S HN 0.563 nan 8.310 nan 0.000 0.518 1402 F N 1.089 121.021 119.950 -0.031 0.000 2.722 1402 F HA 0.300 4.833 4.527 0.009 0.000 0.336 1402 F C 0.474 176.238 175.800 -0.059 0.000 1.216 1402 F CA -0.764 57.220 58.000 -0.028 0.000 1.065 1402 F CB 0.750 39.753 39.000 0.005 0.000 1.325 1402 F HN 0.185 nan 8.300 nan 0.000 0.524 1403 E N 2.026 121.964 120.200 -0.436 0.000 5.314 1403 E HA -0.352 4.003 4.350 0.009 0.000 0.171 1403 E C -0.071 176.469 176.600 -0.100 0.000 1.207 1403 E CA 2.239 58.461 56.400 -0.297 0.000 1.788 1403 E CB -0.513 28.932 29.700 -0.424 0.000 1.852 1403 E HN 0.762 nan 8.360 nan 0.000 0.324 1404 E N 0.377 120.557 120.200 -0.033 0.000 3.896 1404 E HA 0.195 4.550 4.350 0.009 0.000 0.217 1404 E C 0.299 176.866 176.600 -0.055 0.000 1.150 1404 E CA 0.071 56.452 56.400 -0.033 0.000 1.338 1404 E CB 0.827 30.517 29.700 -0.017 0.000 1.242 1404 E HN 0.162 nan 8.360 nan 0.000 0.435 1405 T N -0.189 114.325 114.554 -0.067 0.000 2.520 1405 T HA -0.200 4.155 4.350 0.009 0.000 0.258 1405 T C 2.022 176.623 174.700 -0.166 0.000 1.125 1405 T CA 1.290 63.328 62.100 -0.103 0.000 1.206 1405 T CB -0.200 68.614 68.868 -0.091 0.000 0.864 1405 T HN 0.090 nan 8.240 nan 0.000 0.400 1406 V N 1.818 121.641 119.914 -0.152 0.000 2.238 1406 V HA -0.363 3.762 4.120 0.009 0.000 0.253 1406 V C 2.527 178.474 176.094 -0.245 0.000 1.050 1406 V CA 2.402 64.571 62.300 -0.219 0.000 1.045 1406 V CB -0.953 30.869 31.823 -0.001 0.000 0.670 1406 V HN 0.580 nan 8.190 nan 0.000 0.469 1407 E N -0.464 119.746 120.200 0.015 0.000 2.068 1407 E HA -0.291 4.064 4.350 0.009 0.000 0.207 1407 E C 2.082 178.647 176.600 -0.058 0.000 1.032 1407 E CA 2.166 58.615 56.400 0.081 0.000 0.839 1407 E CB -0.377 29.340 29.700 0.027 0.000 0.758 1407 E HN 0.604 nan 8.360 nan 0.000 0.457 1408 I N 0.893 121.394 120.570 -0.116 0.000 2.236 1408 I HA -0.310 3.865 4.170 0.009 0.000 0.249 1408 I C 2.392 178.355 176.117 -0.257 0.000 1.102 1408 I CA 1.061 62.266 61.300 -0.159 0.000 1.365 1408 I CB -0.180 37.733 38.000 -0.144 0.000 1.051 1408 I HN 0.176 nan 8.210 nan 0.000 0.420 1409 L N -0.874 120.134 121.223 -0.358 0.000 2.291 1409 L HA -0.141 4.205 4.340 0.009 0.000 0.214 1409 L C 2.224 178.840 176.870 -0.423 0.000 1.120 1409 L CA 1.022 55.562 54.840 -0.500 0.000 0.799 1409 L CB -0.247 41.495 42.059 -0.529 0.000 0.925 1409 L HN 0.175 nan 8.230 nan 0.000 0.446 1410 F N 0.420 120.233 119.950 -0.229 0.000 2.074 1410 F HA -0.143 4.390 4.527 0.009 0.000 0.290 1410 F C 2.413 178.076 175.800 -0.229 0.000 1.118 1410 F CA 0.739 58.575 58.000 -0.274 0.000 1.199 1410 F CB -0.216 38.456 39.000 -0.546 0.000 1.012 1410 F HN -0.007 nan 8.300 nan 0.000 0.472 1411 E N 0.512 120.684 120.200 -0.047 0.000 2.393 1411 E HA -0.206 4.149 4.350 0.009 0.000 0.201 1411 E C 1.902 178.435 176.600 -0.111 0.000 1.025 1411 E CA 0.747 57.093 56.400 -0.089 0.000 0.856 1411 E CB -0.310 29.334 29.700 -0.094 0.000 0.771 1411 E HN 0.444 nan 8.360 nan 0.000 0.526 1412 A N 0.922 123.653 122.820 -0.149 0.000 1.997 1412 A HA 0.156 4.482 4.320 0.009 0.000 0.212 1412 A C 2.329 179.840 177.584 -0.121 0.000 1.178 1412 A CA 0.843 52.749 52.037 -0.217 0.000 0.698 1412 A CB -0.326 18.409 19.000 -0.442 0.000 0.842 1412 A HN 0.312 nan 8.150 nan 0.000 0.458 1413 G N -0.196 108.591 108.800 -0.022 0.000 2.395 1413 G HA2 0.121 4.087 3.960 0.009 0.000 0.214 1413 G HA3 0.121 4.087 3.960 0.009 0.000 0.214 1413 G C 1.753 176.731 174.900 0.130 0.000 1.177 1413 G CA 1.223 46.412 45.100 0.149 0.000 0.794 1413 G HN 0.678 nan 8.290 nan 0.000 0.532 1414 A N 1.063 123.974 122.820 0.152 0.000 1.884 1414 A HA -0.035 4.291 4.320 0.009 0.000 0.219 1414 A C 2.050 179.435 177.584 -0.333 0.000 1.197 1414 A CA 2.174 54.208 52.037 -0.005 0.000 0.637 1414 A CB -0.790 18.257 19.000 0.079 0.000 0.827 1414 A HN 0.850 nan 8.150 nan 0.000 0.450 1415 S N -0.471 115.051 115.700 -0.298 0.000 3.334 1415 S HA 0.592 5.068 4.470 0.009 0.000 0.188 1415 S C 0.332 174.866 174.600 -0.109 0.000 1.404 1415 S CA -0.053 57.961 58.200 -0.310 0.000 1.040 1415 S CB -0.106 62.915 63.200 -0.298 0.000 1.352 1415 S HN 1.461 nan 8.310 nan 0.000 0.501 1416 A N 2.089 124.897 122.820 -0.021 0.000 1.974 1416 A HA -0.137 4.188 4.320 0.009 0.000 0.334 1416 A C 0.543 178.138 177.584 0.019 0.000 0.961 1416 A CA 0.702 52.769 52.037 0.051 0.000 1.475 1416 A CB -0.851 18.241 19.000 0.154 0.000 0.658 1416 A HN 0.792 nan 8.150 nan 0.000 0.271 1417 E N 0.041 120.262 120.200 0.034 0.000 2.301 1417 E HA 0.470 4.825 4.350 0.009 0.000 0.275 1417 E C -0.603 176.039 176.600 0.068 0.000 1.030 1417 E CA -0.800 55.615 56.400 0.026 0.000 0.852 1417 E CB 1.311 31.000 29.700 -0.019 0.000 1.060 1417 E HN 0.519 nan 8.360 nan 0.000 0.401 1418 L N 3.394 124.631 121.223 0.023 0.000 2.316 1418 L HA 0.257 4.602 4.340 0.009 0.000 0.280 1418 L C -0.935 175.950 176.870 0.024 0.000 1.006 1418 L CA -0.488 54.352 54.840 -0.001 0.000 0.836 1418 L CB 1.228 43.262 42.059 -0.041 0.000 1.221 1418 L HN 0.351 nan 8.230 nan 0.000 0.418 1419 D N 3.155 123.589 120.400 0.056 0.000 2.295 1419 D HA 0.078 4.723 4.640 0.009 0.000 0.248 1419 D C 0.537 176.843 176.300 0.011 0.000 1.154 1419 D CA 0.010 54.041 54.000 0.052 0.000 0.857 1419 D CB 1.160 42.031 40.800 0.118 0.000 1.117 1419 D HN 0.589 nan 8.370 nan 0.000 0.468 1420 D N 2.465 122.868 120.400 0.004 0.000 2.182 1420 D HA -0.151 4.495 4.640 0.009 0.000 0.201 1420 D C 0.830 177.126 176.300 -0.007 0.000 0.986 1420 D CA 0.661 54.659 54.000 -0.004 0.000 0.847 1420 D CB -0.066 40.733 40.800 -0.002 0.000 0.942 1420 D HN 0.523 nan 8.370 nan 0.000 0.467 1421 C N 0.083 119.382 119.300 -0.000 0.000 4.614 1421 C HA -0.145 4.321 4.460 0.009 0.000 0.300 1421 C C 1.187 176.173 174.990 -0.006 0.000 1.301 1421 C CA -0.205 58.810 59.018 -0.004 0.000 2.073 1421 C CB -2.462 25.268 27.740 -0.017 0.000 1.219 1421 C HN 0.396 nan 8.230 nan 0.000 0.772 1422 R N -0.201 120.299 120.500 0.000 0.000 2.508 1422 R HA 0.293 4.639 4.340 0.009 0.000 0.300 1422 R C 1.025 177.328 176.300 0.005 0.000 0.970 1422 R CA 0.564 56.667 56.100 0.005 0.000 1.102 1422 R CB 0.797 31.106 30.300 0.014 0.000 1.246 1422 R HN 0.569 nan 8.270 nan 0.000 0.539 1423 G N -0.261 108.538 108.800 -0.001 0.000 2.400 1423 G HA2 0.240 4.205 3.960 0.009 0.000 0.301 1423 G HA3 0.240 4.205 3.960 0.009 0.000 0.301 1423 G C 0.908 175.801 174.900 -0.013 0.000 1.154 1423 G CA -0.565 44.531 45.100 -0.005 0.000 0.852 1423 G HN -0.075 nan 8.290 nan 0.000 0.511 1424 V N 1.559 121.461 119.914 -0.022 0.000 2.427 1424 V HA -0.174 3.951 4.120 0.009 0.000 0.248 1424 V C 2.901 178.982 176.094 -0.021 0.000 1.051 1424 V CA 2.479 64.762 62.300 -0.028 0.000 1.048 1424 V CB -0.270 31.530 31.823 -0.039 0.000 0.666 1424 V HN 0.742 nan 8.190 nan 0.000 0.456 1425 S N -0.084 115.607 115.700 -0.015 0.000 2.419 1425 S HA -0.191 4.285 4.470 0.009 0.000 0.233 1425 S C 1.681 176.279 174.600 -0.003 0.000 1.016 1425 S CA 1.415 59.611 58.200 -0.007 0.000 0.974 1425 S CB -0.237 62.965 63.200 0.003 0.000 0.786 1425 S HN 0.775 nan 8.310 nan 0.000 0.492 1426 E N 1.459 121.658 120.200 -0.002 0.000 2.140 1426 E HA 0.091 4.446 4.350 0.009 0.000 0.191 1426 E C 1.523 178.119 176.600 -0.006 0.000 0.973 1426 E CA 0.186 56.588 56.400 0.002 0.000 0.829 1426 E CB -0.186 29.520 29.700 0.010 0.000 0.781 1426 E HN 0.365 nan 8.360 nan 0.000 0.466 1427 N N 1.024 119.716 118.700 -0.013 0.000 2.381 1427 N HA -0.085 4.660 4.740 0.009 0.000 0.182 1427 N C 1.812 177.309 175.510 -0.021 0.000 1.025 1427 N CA 0.595 53.633 53.050 -0.020 0.000 0.888 1427 N CB 0.285 38.756 38.487 -0.026 0.000 0.965 1427 N HN 0.011 nan 8.380 nan 0.000 0.438 1428 V N 1.310 121.213 119.914 -0.018 0.000 2.548 1428 V HA -0.074 4.051 4.120 0.009 0.000 0.249 1428 V C 2.115 178.201 176.094 -0.014 0.000 1.055 1428 V CA 0.898 63.187 62.300 -0.018 0.000 1.065 1428 V CB -0.100 31.713 31.823 -0.017 0.000 0.681 1428 V HN 0.219 nan 8.190 nan 0.000 0.462 1429 I N -0.551 120.014 120.570 -0.010 0.000 2.617 1429 I HA -0.116 4.060 4.170 0.009 0.000 0.256 1429 I C 1.643 177.753 176.117 -0.012 0.000 1.167 1429 I CA 1.294 62.590 61.300 -0.007 0.000 1.469 1429 I CB 0.008 38.008 38.000 0.001 0.000 1.098 1429 I HN 0.249 nan 8.210 nan 0.000 0.436 1430 L N 0.427 121.641 121.223 -0.016 0.000 2.667 1430 L HA 0.309 4.655 4.340 0.009 0.000 0.232 1430 L C 1.158 178.014 176.870 -0.023 0.000 1.138 1430 L CA -0.031 54.796 54.840 -0.022 0.000 0.921 1430 L CB -0.162 41.881 42.059 -0.026 0.000 1.180 1430 L HN 0.350 nan 8.230 nan 0.000 0.487 1431 G N 1.251 110.038 108.800 -0.021 0.000 2.366 1431 G HA2 -0.263 3.702 3.960 0.009 0.000 0.299 1431 G HA3 -0.263 3.702 3.960 0.009 0.000 0.299 1431 G C -0.043 174.842 174.900 -0.025 0.000 1.020 1431 G CA 0.274 45.361 45.100 -0.021 0.000 1.026 1431 G HN 0.526 nan 8.290 nan 0.000 0.512 1432 Q N -0.667 119.116 119.800 -0.028 0.000 2.458 1432 Q HA 0.669 5.014 4.340 0.009 0.000 0.282 1432 Q C 0.663 176.641 176.000 -0.038 0.000 1.106 1432 Q CA -1.259 54.524 55.803 -0.033 0.000 0.814 1432 Q CB 1.319 30.037 28.738 -0.034 0.000 1.425 1432 Q HN 0.319 nan 8.270 nan 0.000 0.437 1433 M N 0.718 120.291 119.600 -0.045 0.000 2.219 1433 M HA 0.338 4.823 4.480 0.009 0.000 0.307 1433 M C -0.198 176.068 176.300 -0.056 0.000 1.116 1433 M CA 0.448 55.714 55.300 -0.056 0.000 1.181 1433 M CB 0.479 33.035 32.600 -0.074 0.000 1.410 1433 M HN 0.867 nan 8.290 nan 0.000 0.454 1434 A N 2.178 124.961 122.820 -0.062 0.000 2.486 1434 A HA 0.691 5.016 4.320 0.009 0.000 0.289 1434 A C -2.548 174.995 177.584 -0.068 0.000 1.176 1434 A CA -1.286 50.718 52.037 -0.055 0.000 0.757 1434 A CB 0.845 19.818 19.000 -0.045 0.000 1.337 1434 A HN 0.502 nan 8.150 nan 0.000 0.423 1435 P HA 0.241 nan 4.420 nan 0.000 0.232 1435 P C -0.722 176.531 177.300 -0.079 0.000 1.738 1435 P CA 0.607 63.672 63.100 -0.058 0.000 0.948 1435 P CB -0.514 31.171 31.700 -0.025 0.000 1.943 1436 I N -1.166 119.357 120.570 -0.078 0.000 3.501 1436 I HA 0.278 4.453 4.170 0.009 0.000 0.297 1436 I C 2.139 178.230 176.117 -0.045 0.000 1.199 1436 I CA -0.707 60.551 61.300 -0.070 0.000 0.987 1436 I CB 0.537 38.501 38.000 -0.060 0.000 1.365 1436 I HN 0.070 nan 8.210 nan 0.000 0.574 1437 G N 0.344 109.134 108.800 -0.016 0.000 2.599 1437 G HA2 -0.265 3.700 3.960 0.009 0.000 0.219 1437 G HA3 -0.265 3.700 3.960 0.009 0.000 0.219 1437 G C 1.287 176.285 174.900 0.164 0.000 1.193 1437 G CA 1.813 46.954 45.100 0.068 0.000 0.778 1437 G HN 0.640 nan 8.290 nan 0.000 0.589 1438 T N 0.410 115.001 114.554 0.061 0.000 2.962 1438 T HA 0.160 4.515 4.350 0.009 0.000 0.270 1438 T C 1.605 176.084 174.700 -0.368 0.000 1.088 1438 T CA 1.144 63.233 62.100 -0.019 0.000 1.127 1438 T CB 0.016 68.880 68.868 -0.006 0.000 0.883 1438 T HN 0.420 nan 8.240 nan 0.000 0.493 1439 G N -0.299 108.342 108.800 -0.266 0.000 4.912 1439 G HA2 0.590 4.556 3.960 0.009 0.000 0.307 1439 G HA3 0.590 4.556 3.960 0.009 0.000 0.307 1439 G C 0.559 175.327 174.900 -0.219 0.000 1.381 1439 G CA 0.221 45.139 45.100 -0.303 0.000 1.057 1439 G HN 0.363 nan 8.290 nan 0.000 0.593 1440 A N 0.535 123.216 122.820 -0.231 0.000 1.997 1440 A HA 0.609 4.934 4.320 0.009 0.000 0.198 1440 A C 0.535 178.198 177.584 0.132 0.000 1.449 1440 A CA 0.140 52.207 52.037 0.051 0.000 0.908 1440 A CB 0.034 19.165 19.000 0.218 0.000 0.984 1440 A HN 0.599 nan 8.150 nan 0.000 0.487 1441 F N -0.237 119.809 119.950 0.159 0.000 2.425 1441 F HA 0.752 5.284 4.527 0.008 0.000 0.331 1441 F C -0.598 175.217 175.800 0.025 0.000 1.085 1441 F CA -1.589 56.450 58.000 0.065 0.000 1.028 1441 F CB 0.628 39.689 39.000 0.101 0.000 1.177 1441 F HN -0.130 nan 8.300 nan 0.000 0.487 1442 D N 1.472 121.901 120.400 0.049 0.000 2.217 1442 D HA 0.499 5.144 4.640 0.009 0.000 0.248 1442 D C -0.912 175.459 176.300 0.119 0.000 1.008 1442 D CA -0.219 53.775 54.000 -0.010 0.000 0.914 1442 D CB 2.570 43.362 40.800 -0.014 0.000 1.182 1442 D HN 0.430 nan 8.370 nan 0.000 0.451 1443 V N 3.194 123.157 119.914 0.083 0.000 2.459 1443 V HA 0.547 4.673 4.120 0.009 0.000 0.295 1443 V C 0.248 176.378 176.094 0.060 0.000 1.029 1443 V CA -0.439 61.932 62.300 0.118 0.000 0.874 1443 V CB 1.503 33.407 31.823 0.135 0.000 0.985 1443 V HN 0.493 nan 8.190 nan 0.000 0.438 1444 M N 3.883 123.515 119.600 0.053 0.000 2.569 1444 M HA 0.575 5.060 4.480 0.009 0.000 0.279 1444 M C -0.767 175.549 176.300 0.028 0.000 1.253 1444 M CA -0.542 54.778 55.300 0.032 0.000 0.867 1444 M CB 2.625 35.238 32.600 0.022 0.000 1.727 1444 M HN 0.393 nan 8.290 nan 0.000 0.467 1445 I N 0.233 120.816 120.570 0.022 0.000 0.000 1445 I HA 0.610 4.786 4.170 0.009 0.000 0.000 1445 I C 0.406 176.532 176.117 0.015 0.000 0.000 1445 I CA 0.614 61.925 61.300 0.019 0.000 0.000 1445 I CB 0.407 38.417 38.000 0.017 0.000 0.000 1445 I HN 0.909 nan 8.210 nan 0.000 0.000 1446 D N -0.179 nan 120.400 nan 0.000 0.000 1446 D HA 0.665 5.310 4.640 0.009 0.000 0.000 1446 D C -0.771 nan 176.300 nan 0.000 0.000 1446 D CA 0.113 54.119 54.000 0.011 0.000 0.000 1446 D CB 1.090 nan 40.800 nan 0.000 0.000 1446 D HN 1.042 nan 8.370 nan 0.000 0.000 1447 E N -3.051 nan 120.200 nan 0.000 0.000 1447 E HA 1.041 5.396 4.350 0.009 0.000 0.000 1447 E C -0.097 nan 176.600 nan 0.000 0.000 1447 E CA 1.175 57.580 56.400 0.008 0.000 0.000 1447 E CB -0.360 nan 29.700 nan 0.000 0.000 1447 E HN 2.483 nan 8.360 nan 0.000 0.000 1448 E N -2.247 nan 120.200 nan 0.000 0.000 1448 E HA 1.049 5.404 4.350 0.009 0.000 0.000 1448 E C 0.091 nan 176.600 nan 0.000 0.000 1448 E CA 0.550 56.955 56.400 0.009 0.000 0.000 1448 E CB -0.170 nan 29.700 nan 0.000 0.000 1448 E HN 2.448 nan 8.360 nan 0.000 0.000 1449 S N -2.319 nan 115.700 nan 0.000 0.000 1449 S HA 1.182 5.657 4.470 0.009 0.000 0.000 1449 S C -0.256 nan 174.600 nan 0.000 0.000 1449 S CA 0.377 58.581 58.200 0.007 0.000 0.000 1449 S CB -0.611 nan 63.200 nan 0.000 0.000 1449 S HN 2.582 nan 8.310 nan 0.000 0.000 1450 L N -2.010 nan 121.223 nan 0.000 0.000 1450 L HA 1.169 5.515 4.340 0.009 0.000 0.000 1450 L C -0.076 nan 176.870 nan 0.000 0.000 1450 L CA 0.105 54.949 54.840 0.008 0.000 0.000 1450 L CB -0.320 nan 42.059 nan 0.000 0.000 1450 L HN 2.901 nan 8.230 nan 0.000 0.000 1451 V N -3.696 nan 119.914 nan 0.000 0.000 1451 V HA 1.253 5.378 4.120 0.009 0.000 0.000 1451 V C -0.381 nan 176.094 nan 0.000 0.000 1451 V CA 0.459 62.764 62.300 0.009 0.000 0.000 1451 V CB 0.606 nan 31.823 nan 0.000 0.000 1451 V HN 3.114 nan 8.190 nan 0.000 0.000 1452 K N 0.000 nan 120.400 nan 0.000 2.780 1452 K HA 0.000 4.325 4.320 0.009 0.000 0.191 1452 K CA 0.000 56.292 56.287 0.008 0.000 0.838 1452 K CB 0.000 nan 32.500 nan 0.000 1.064 1452 K HN 0.000 nan 8.250 nan 0.000 0.543