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 3h7n_1_A DATA FIRST_RESID 1 DATA SEQUENCE MACLSRIDAN LLQYYEKPEP NNTVDLYVSX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXGSEYSNCL LLSNSEYICY HFSSRSTLLT FYPLSDAYHG KTINIHLPNA DATA SEQUENCE SMNQRYTLTI QEVEQQLLVN VILKDGSFLT LQLPLSFLFS SANTLNGEWF DATA SEQUENCE HLQNPYDFTV RVPHFLFYVS PQFSVVFLED GGLLGLKKVD GVHYEPLLFN DATA SEQUENCE DNSYLKSLTR FFSRSSKSDY DSVISCKLFH ERYLIVLTQN CHLKIWDLTS DATA SEQUENCE FTLIQDYDMV SQSDSDPSHF RKVEAVGEYL SLYNNTLVTL LPLENGLFQM DATA SEQUENCE GTLLVDSSGI LTYTFQNNIP TNLSASAIWS IVDLVLTRPL ELNVEASYLN DATA SEQUENCE LIVLWKSGTA SKLQILNVND ESFKNYEWIE SVNKSLVDLQ SEHDLDIVTK DATA SEQUENCE TGDVERGFCN LKSRYGTQIF ERAQQILSEN KIIMAHNEDE EYLANLETIL DATA SEQUENCE RDVKTAFNEA SSITLYGDEI ILVNCFQPYN HSLYKLNTTV ENWFYNMHSE DATA SEQUENCE TDGSELFKYL RTLNGFASTL SNDVLRSISK KFLDIITGEL PDSMTTVEKF DATA SEQUENCE TDIFKNCLEN QFEITNLKIL FDELNSFDIP VVLNDLINNQ MKPGIFWKKD DATA SEQUENCE FISAIKFDGF TSIISLESLH QLLSIHYRIT LQVLLTFVLF DLDTEIFGQH DATA SEQUENCE ISTLLDLHYK QFLLLNLYRQ DKCLLAEVLL KDSSEFSFGV KFFNYGQLIA DATA SEQUENCE YIDSLNSNVY NASITENSFF MTFFRSYII 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.324 176.300 0.040 0.000 1.140 1 M CA 0.000 55.327 55.300 0.045 0.000 0.988 1 M CB 0.000 32.625 32.600 0.042 0.000 1.302 2 A N 0.107 122.953 122.820 0.044 0.000 2.291 2 A HA 0.605 4.924 4.320 -0.001 0.000 0.311 2 A C 0.367 177.946 177.584 -0.008 0.000 1.224 2 A CA -0.555 51.490 52.037 0.014 0.000 0.821 2 A CB 0.427 19.443 19.000 0.026 0.000 1.172 2 A HN 0.558 nan 8.150 nan 0.000 0.494 3 C N 1.970 121.247 119.300 -0.038 0.000 3.019 3 C HA 0.416 4.876 4.460 -0.001 0.000 0.295 3 C C 0.302 175.222 174.990 -0.117 0.000 1.256 3 C CA 0.108 59.088 59.018 -0.063 0.000 1.706 3 C CB -1.453 26.255 27.740 -0.053 0.000 2.153 3 C HN 0.706 nan 8.230 nan 0.000 0.618 4 L N 0.613 121.760 121.223 -0.126 0.000 2.354 4 L HA 0.593 4.932 4.340 -0.001 0.000 0.264 4 L C 0.279 177.058 176.870 -0.151 0.000 1.008 4 L CA 0.148 54.906 54.840 -0.137 0.000 0.819 4 L CB 1.513 43.519 42.059 -0.088 0.000 1.339 4 L HN 0.086 nan 8.230 nan 0.000 0.420 5 S N 0.282 115.883 115.700 -0.164 0.000 2.766 5 S HA 0.771 5.240 4.470 -0.001 0.000 0.307 5 S C -0.475 174.122 174.600 -0.005 0.000 1.121 5 S CA -0.906 57.158 58.200 -0.228 0.000 0.980 5 S CB 1.655 64.636 63.200 -0.364 0.000 1.159 5 S HN 0.593 nan 8.310 nan 0.000 0.546 6 R N 0.425 120.903 120.500 -0.037 0.000 2.343 6 R HA 0.521 4.861 4.340 -0.001 0.000 0.320 6 R C -1.366 174.845 176.300 -0.148 0.000 0.956 6 R CA -0.617 55.373 56.100 -0.183 0.000 0.836 6 R CB 0.525 30.756 30.300 -0.115 0.000 1.151 6 R HN 0.627 nan 8.270 nan 0.000 0.450 7 I N 4.135 124.586 120.570 -0.198 0.000 2.330 7 I HA 0.242 4.411 4.170 -0.001 0.000 0.289 7 I C -0.448 175.589 176.117 -0.133 0.000 1.001 7 I CA -0.575 60.649 61.300 -0.126 0.000 1.193 7 I CB 1.594 39.523 38.000 -0.119 0.000 1.345 7 I HN 0.576 nan 8.210 nan 0.000 0.461 8 D N 5.926 126.275 120.400 -0.084 0.000 2.249 8 D HA 0.456 5.096 4.640 -0.001 0.000 0.246 8 D C -0.028 176.250 176.300 -0.038 0.000 1.114 8 D CA -0.096 53.873 54.000 -0.053 0.000 0.854 8 D CB 2.376 43.162 40.800 -0.022 0.000 1.132 8 D HN 0.560 nan 8.370 nan 0.000 0.461 9 A N 3.320 126.147 122.820 0.011 0.000 2.277 9 A HA 0.216 4.535 4.320 -0.001 0.000 0.318 9 A C -0.046 177.586 177.584 0.080 0.000 1.339 9 A CA -0.772 51.280 52.037 0.026 0.000 0.875 9 A CB 0.345 19.410 19.000 0.109 0.000 1.158 9 A HN 0.425 nan 8.150 nan 0.000 0.514 10 N N 3.776 122.482 118.700 0.010 0.000 2.485 10 N HA 0.206 4.945 4.740 -0.001 0.000 0.243 10 N C 0.794 176.296 175.510 -0.014 0.000 0.987 10 N CA -0.384 52.688 53.050 0.036 0.000 0.940 10 N CB 0.808 39.316 38.487 0.035 0.000 1.122 10 N HN 0.653 nan 8.380 nan 0.000 0.509 11 L N 2.871 124.126 121.223 0.053 0.000 2.270 11 L HA -0.179 4.161 4.340 -0.001 0.000 0.217 11 L C 1.408 178.249 176.870 -0.050 0.000 1.107 11 L CA 1.204 56.043 54.840 -0.002 0.000 0.772 11 L CB -0.098 41.976 42.059 0.025 0.000 0.902 11 L HN 0.557 nan 8.230 nan 0.000 0.439 12 L N -1.215 119.979 121.223 -0.048 0.000 2.728 12 L HA 0.064 4.404 4.340 -0.001 0.000 0.238 12 L C 2.056 178.916 176.870 -0.016 0.000 1.143 12 L CA -0.307 54.550 54.840 0.029 0.000 0.937 12 L CB 0.010 42.057 42.059 -0.020 0.000 1.225 12 L HN 0.121 nan 8.230 nan 0.000 0.507 13 Q N 0.665 120.395 119.800 -0.118 0.000 2.082 13 Q HA -0.270 4.069 4.340 -0.001 0.000 0.211 13 Q C 1.874 177.813 176.000 -0.102 0.000 1.002 13 Q CA 2.427 58.148 55.803 -0.137 0.000 0.868 13 Q CB -0.214 28.381 28.738 -0.239 0.000 0.931 13 Q HN 0.422 nan 8.270 nan 0.000 0.414 14 Y N -1.256 118.863 120.300 -0.302 0.000 2.242 14 Y HA -0.070 4.479 4.550 -0.001 0.000 0.291 14 Y C 0.514 176.036 175.900 -0.630 0.000 1.137 14 Y CA 0.153 57.942 58.100 -0.519 0.000 1.181 14 Y CB -0.888 37.119 38.460 -0.756 0.000 0.989 14 Y HN 0.100 nan 8.280 nan 0.000 0.527 15 Y N 0.233 120.448 120.300 -0.142 0.000 2.281 15 Y HA 0.142 4.692 4.550 -0.001 0.000 0.337 15 Y C 1.818 177.599 175.900 -0.198 0.000 1.304 15 Y CA -0.445 57.440 58.100 -0.358 0.000 1.465 15 Y CB 0.337 38.214 38.460 -0.972 0.000 1.350 15 Y HN -0.045 nan 8.280 nan 0.000 0.575 16 E N -0.003 120.196 120.200 -0.002 0.000 2.447 16 E HA 0.092 4.441 4.350 -0.001 0.000 0.204 16 E C -0.290 176.362 176.600 0.087 0.000 0.977 16 E CA 0.098 56.516 56.400 0.029 0.000 0.950 16 E CB 0.349 30.059 29.700 0.016 0.000 0.975 16 E HN 0.435 nan 8.360 nan 0.000 0.496 17 K N 2.370 122.858 120.400 0.145 0.000 2.263 17 K HA 0.130 4.449 4.320 -0.001 0.000 0.282 17 K C -1.859 174.850 176.600 0.181 0.000 1.089 17 K CA -1.810 54.586 56.287 0.181 0.000 0.907 17 K CB 1.272 33.919 32.500 0.244 0.000 1.148 17 K HN 0.046 nan 8.250 nan 0.000 0.470 18 P HA -0.188 nan 4.420 nan 0.000 0.222 18 P C -0.579 176.757 177.300 0.059 0.000 1.142 18 P CA 1.325 64.487 63.100 0.104 0.000 0.788 18 P CB 0.412 32.181 31.700 0.115 0.000 0.767 19 E N -0.105 120.117 120.200 0.038 0.000 2.238 19 E HA 0.402 4.751 4.350 -0.001 0.000 0.267 19 E C -2.615 173.886 176.600 -0.165 0.000 0.887 19 E CA -2.884 53.491 56.400 -0.041 0.000 0.769 19 E CB 1.398 31.099 29.700 0.001 0.000 1.187 19 E HN -0.015 nan 8.360 nan 0.000 0.416 20 P HA -0.043 nan 4.420 nan 0.000 0.265 20 P C 0.318 177.386 177.300 -0.387 0.000 1.187 20 P CA 0.051 62.857 63.100 -0.490 0.000 0.766 20 P CB 0.585 32.058 31.700 -0.379 0.000 0.820 21 N N 1.489 119.866 118.700 -0.538 0.000 2.069 21 N HA -0.152 4.587 4.740 -0.001 0.000 0.191 21 N C 0.605 176.003 175.510 -0.187 0.000 1.031 21 N CA 1.434 54.299 53.050 -0.309 0.000 0.852 21 N CB -0.723 37.580 38.487 -0.307 0.000 1.018 21 N HN 0.425 nan 8.380 nan 0.000 0.423 22 N N 0.823 119.404 118.700 -0.197 0.000 2.500 22 N HA 0.139 4.878 4.740 -0.001 0.000 0.236 22 N C -1.615 173.833 175.510 -0.104 0.000 1.022 22 N CA 0.057 53.034 53.050 -0.122 0.000 0.935 22 N CB 0.485 38.905 38.487 -0.112 0.000 1.147 22 N HN -0.110 nan 8.380 nan 0.000 0.512 23 T N 2.555 117.073 114.554 -0.060 0.000 2.812 23 T HA 0.433 4.782 4.350 -0.001 0.000 0.282 23 T C -0.453 174.252 174.700 0.007 0.000 0.990 23 T CA -0.708 61.377 62.100 -0.025 0.000 0.960 23 T CB 0.962 69.829 68.868 -0.002 0.000 0.948 23 T HN 0.294 nan 8.240 nan 0.000 0.438 24 V N 0.160 120.082 119.914 0.013 0.000 2.513 24 V HA 0.678 4.797 4.120 -0.001 0.000 0.299 24 V C -0.871 175.285 176.094 0.103 0.000 1.035 24 V CA -0.776 61.562 62.300 0.064 0.000 0.889 24 V CB 2.005 33.870 31.823 0.070 0.000 0.988 24 V HN 0.789 nan 8.190 nan 0.000 0.440 25 D N 5.442 125.948 120.400 0.177 0.000 2.464 25 D HA 0.444 5.083 4.640 -0.001 0.000 0.243 25 D C -0.395 176.153 176.300 0.414 0.000 1.104 25 D CA -0.077 54.084 54.000 0.269 0.000 0.883 25 D CB 1.942 42.975 40.800 0.390 0.000 1.050 25 D HN 0.543 nan 8.370 nan 0.000 0.524 26 L N 1.859 123.249 121.223 0.278 0.000 2.399 26 L HA 0.402 4.741 4.340 -0.001 0.000 0.266 26 L C -0.326 176.852 176.870 0.514 0.000 1.114 26 L CA -0.603 54.459 54.840 0.370 0.000 0.804 26 L CB 0.432 42.493 42.059 0.003 0.000 1.146 26 L HN 0.226 nan 8.230 nan 0.000 0.451 27 Y N 0.428 120.912 120.300 0.306 0.000 2.753 27 Y HA 0.735 5.284 4.550 -0.001 0.000 0.324 27 Y C 0.107 175.994 175.900 -0.022 0.000 1.147 27 Y CA -1.057 57.149 58.100 0.177 0.000 1.173 27 Y CB 1.672 40.186 38.460 0.091 0.000 1.361 27 Y HN 0.119 nan 8.280 nan 0.000 0.545 28 V N -0.901 118.960 119.914 -0.088 0.000 3.078 28 V HA 0.582 4.701 4.120 -0.001 0.000 0.311 28 V C -0.302 175.664 176.094 -0.213 0.000 1.138 28 V CA -1.493 60.372 62.300 -0.724 0.000 1.007 28 V CB 1.548 32.916 31.823 -0.759 0.000 1.045 28 V HN 0.921 nan 8.190 nan 0.000 0.432 54 S N -0.765 114.812 115.700 -0.205 0.000 3.041 54 S HA 0.278 4.748 4.470 -0.001 0.000 0.244 54 S C 0.361 174.468 174.600 -0.821 0.000 0.837 54 S CA -0.002 57.971 58.200 -0.380 0.000 1.206 54 S CB 0.922 64.010 63.200 -0.187 0.000 1.218 54 S HN 0.513 nan 8.310 nan 0.000 0.591 55 E N 0.697 120.506 120.200 -0.652 0.000 2.694 55 E HA 0.442 4.792 4.350 -0.001 0.000 0.224 55 E C -0.719 175.652 176.600 -0.381 0.000 1.068 55 E CA 0.025 56.085 56.400 -0.566 0.000 1.043 55 E CB 0.243 29.776 29.700 -0.279 0.000 2.367 55 E HN 0.320 nan 8.360 nan 0.000 0.565 56 Y N 0.734 120.863 120.300 -0.285 0.000 2.446 56 Y HA 0.609 5.159 4.550 -0.001 0.000 0.345 56 Y C -1.181 174.537 175.900 -0.303 0.000 0.984 56 Y CA -0.824 57.164 58.100 -0.188 0.000 1.058 56 Y CB 1.648 40.033 38.460 -0.125 0.000 1.220 56 Y HN 0.163 nan 8.280 nan 0.000 0.455 57 S N 5.864 120.941 115.700 -1.038 0.000 2.536 57 S HA 0.652 5.121 4.470 -0.001 0.000 0.271 57 S C -1.853 172.026 174.600 -1.200 0.000 1.134 57 S CA -0.794 56.764 58.200 -1.070 0.000 0.897 57 S CB 2.035 64.599 63.200 -1.059 0.000 1.094 57 S HN 0.861 nan 8.310 nan 0.000 0.473 58 N N 0.048 118.007 118.700 -1.234 0.000 2.961 58 N HA 0.413 5.152 4.740 -0.001 0.000 0.245 58 N C -1.884 173.127 175.510 -0.831 0.000 1.404 58 N CA -0.294 52.188 53.050 -0.947 0.000 0.880 58 N CB 1.808 39.795 38.487 -0.833 0.000 1.461 58 N HN 0.795 nan 8.380 nan 0.000 0.510 59 C N 1.613 120.728 119.300 -0.308 0.000 2.329 59 C HA 0.644 5.104 4.460 -0.001 0.000 0.329 59 C C -0.135 174.975 174.990 0.199 0.000 1.275 59 C CA -0.588 58.410 59.018 -0.032 0.000 1.726 59 C CB -0.105 27.628 27.740 -0.012 0.000 2.291 59 C HN 0.503 nan 8.230 nan 0.000 0.514 60 L N 5.483 126.897 121.223 0.318 0.000 2.319 60 L HA 0.638 4.977 4.340 -0.001 0.000 0.281 60 L C -0.442 176.521 176.870 0.154 0.000 1.005 60 L CA -0.286 54.713 54.840 0.264 0.000 0.828 60 L CB 0.814 43.025 42.059 0.254 0.000 1.227 60 L HN 0.612 nan 8.230 nan 0.000 0.415 61 L N 5.398 126.632 121.223 0.018 0.000 2.473 61 L HA 0.472 4.811 4.340 -0.001 0.000 0.268 61 L C -0.787 175.973 176.870 -0.183 0.000 1.215 61 L CA 0.475 55.105 54.840 -0.350 0.000 0.823 61 L CB 0.494 42.252 42.059 -0.503 0.000 1.099 61 L HN 0.674 nan 8.230 nan 0.000 0.483 62 L N 1.840 122.932 121.223 -0.218 0.000 2.277 62 L HA 0.434 4.773 4.340 -0.001 0.000 0.254 62 L C 1.320 178.106 176.870 -0.140 0.000 1.044 62 L CA -0.753 54.023 54.840 -0.106 0.000 0.842 62 L CB 1.754 43.813 42.059 0.001 0.000 1.422 62 L HN 0.645 nan 8.230 nan 0.000 0.422 63 S N 0.697 116.339 115.700 -0.096 0.000 2.365 63 S HA -0.168 4.302 4.470 -0.001 0.000 0.225 63 S C 1.152 175.673 174.600 -0.131 0.000 1.039 63 S CA 1.998 60.138 58.200 -0.099 0.000 1.033 63 S CB -0.500 62.660 63.200 -0.067 0.000 0.887 63 S HN 0.839 nan 8.310 nan 0.000 0.447 64 N N 1.237 119.837 118.700 -0.166 0.000 2.466 64 N HA 0.078 4.818 4.740 -0.001 0.000 0.211 64 N C -0.402 174.984 175.510 -0.207 0.000 1.256 64 N CA 0.358 53.284 53.050 -0.208 0.000 0.840 64 N CB -0.587 37.708 38.487 -0.321 0.000 1.079 64 N HN 0.099 nan 8.380 nan 0.000 0.466 65 S N -0.337 115.251 115.700 -0.186 0.000 3.631 65 S HA -0.151 4.318 4.470 -0.001 0.000 0.366 65 S C -0.697 173.810 174.600 -0.156 0.000 0.993 65 S CA 0.599 58.694 58.200 -0.174 0.000 1.167 65 S CB -1.070 62.077 63.200 -0.088 0.000 0.909 65 S HN 0.559 nan 8.310 nan 0.000 0.478 66 E N 0.484 120.564 120.200 -0.200 0.000 2.216 66 E HA 0.357 4.707 4.350 -0.001 0.000 0.260 66 E C -0.565 176.032 176.600 -0.005 0.000 0.880 66 E CA -0.453 55.900 56.400 -0.078 0.000 0.765 66 E CB 0.945 30.502 29.700 -0.239 0.000 1.174 66 E HN 0.399 nan 8.360 nan 0.000 0.417 67 Y N 1.706 122.066 120.300 0.100 0.000 2.304 67 Y HA 0.364 4.913 4.550 -0.001 0.000 0.327 67 Y C 0.721 176.699 175.900 0.130 0.000 1.209 67 Y CA -0.204 57.950 58.100 0.091 0.000 1.299 67 Y CB 1.116 39.599 38.460 0.039 0.000 1.249 67 Y HN 0.431 nan 8.280 nan 0.000 0.519 68 I N 2.599 123.331 120.570 0.271 0.000 2.545 68 I HA 0.499 4.669 4.170 -0.001 0.000 0.292 68 I C -1.326 174.851 176.117 0.101 0.000 1.040 68 I CA -0.542 60.875 61.300 0.194 0.000 1.068 68 I CB 0.853 38.979 38.000 0.209 0.000 1.251 68 I HN 0.618 nan 8.210 nan 0.000 0.424 69 C N 6.266 125.465 119.300 -0.169 0.000 2.391 69 C HA 0.688 5.147 4.460 -0.001 0.000 0.339 69 C C -0.707 173.962 174.990 -0.536 0.000 1.205 69 C CA -0.561 58.201 59.018 -0.426 0.000 1.937 69 C CB 0.646 27.968 27.740 -0.697 0.000 2.341 69 C HN 0.691 nan 8.230 nan 0.000 0.516 70 Y N -0.930 119.049 120.300 -0.535 0.000 2.512 70 Y HA 0.738 5.287 4.550 -0.001 0.000 0.348 70 Y C -0.329 175.414 175.900 -0.263 0.000 0.990 70 Y CA -0.951 56.745 58.100 -0.673 0.000 1.033 70 Y CB 0.944 38.859 38.460 -0.907 0.000 1.259 70 Y HN 0.687 nan 8.280 nan 0.000 0.461 71 H N 2.592 121.434 119.070 -0.380 0.000 2.717 71 H HA 0.370 4.926 4.556 -0.001 0.000 0.366 71 H C -1.964 173.327 175.328 -0.062 0.000 1.132 71 H CA -1.025 54.885 56.048 -0.229 0.000 1.180 71 H CB 2.942 32.567 29.762 -0.229 0.000 1.678 71 H HN 0.813 nan 8.280 nan 0.000 0.537 72 F N 2.831 122.730 119.950 -0.084 0.000 2.359 72 F HA 0.100 4.626 4.527 -0.001 0.000 0.369 72 F C 0.543 176.281 175.800 -0.104 0.000 1.084 72 F CA -0.750 57.203 58.000 -0.079 0.000 1.096 72 F CB 0.956 39.925 39.000 -0.052 0.000 1.335 72 F HN 0.486 nan 8.300 nan 0.000 0.457 73 S N 3.583 119.348 115.700 0.109 0.000 2.806 73 S HA -0.168 4.301 4.470 -0.001 0.000 0.334 73 S C 1.330 175.814 174.600 -0.193 0.000 1.226 73 S CA 0.618 58.782 58.200 -0.060 0.000 1.017 73 S CB 0.767 63.931 63.200 -0.060 0.000 0.712 73 S HN 0.875 nan 8.310 nan 0.000 0.491 74 S N 5.029 120.622 115.700 -0.178 0.000 2.407 74 S HA -0.265 4.205 4.470 -0.001 0.000 0.244 74 S C 1.532 175.988 174.600 -0.241 0.000 1.077 74 S CA 2.160 60.231 58.200 -0.214 0.000 1.159 74 S CB -0.478 62.629 63.200 -0.155 0.000 1.045 74 S HN 0.878 nan 8.310 nan 0.000 0.438 75 R N 1.336 121.716 120.500 -0.199 0.000 2.391 75 R HA 0.267 4.606 4.340 -0.001 0.000 0.225 75 R C 0.588 176.706 176.300 -0.304 0.000 1.079 75 R CA 0.458 56.442 56.100 -0.195 0.000 1.147 75 R CB -0.342 29.892 30.300 -0.111 0.000 1.103 75 R HN 0.236 nan 8.270 nan 0.000 0.499 76 S N -0.937 114.424 115.700 -0.566 0.000 3.319 76 S HA -0.238 4.231 4.470 -0.001 0.000 0.319 76 S C 1.213 175.565 174.600 -0.413 0.000 1.236 76 S CA 1.517 59.069 58.200 -1.080 0.000 0.964 76 S CB -1.223 61.415 63.200 -0.937 0.000 1.040 76 S HN 0.558 nan 8.310 nan 0.000 0.620 77 T N 0.688 115.127 114.554 -0.192 0.000 2.643 77 T HA 0.096 4.445 4.350 -0.001 0.000 0.256 77 T C 0.733 175.463 174.700 0.050 0.000 1.061 77 T CA 1.346 63.429 62.100 -0.029 0.000 1.163 77 T CB -0.039 68.822 68.868 -0.012 0.000 0.865 77 T HN 0.398 nan 8.240 nan 0.000 0.407 78 L N 1.049 122.280 121.223 0.013 0.000 2.334 78 L HA 0.708 5.047 4.340 -0.001 0.000 0.275 78 L C -1.167 175.771 176.870 0.113 0.000 1.036 78 L CA -0.929 53.883 54.840 -0.047 0.000 0.807 78 L CB 1.339 43.271 42.059 -0.213 0.000 1.231 78 L HN 0.154 nan 8.230 nan 0.000 0.438 79 L N 3.879 125.122 121.223 0.033 0.000 2.454 79 L HA 0.504 4.844 4.340 -0.001 0.000 0.258 79 L C -0.510 176.336 176.870 -0.039 0.000 1.025 79 L CA 0.172 55.021 54.840 0.016 0.000 0.901 79 L CB 1.061 43.080 42.059 -0.067 0.000 1.210 79 L HN 0.758 nan 8.230 nan 0.000 0.457 80 T N 3.342 117.845 114.554 -0.086 0.000 2.868 80 T HA 0.491 4.840 4.350 -0.001 0.000 0.292 80 T C -0.641 173.929 174.700 -0.217 0.000 1.028 80 T CA 0.454 62.502 62.100 -0.087 0.000 1.059 80 T CB 0.537 69.330 68.868 -0.124 0.000 0.991 80 T HN 0.282 nan 8.240 nan 0.000 0.531 81 F N 1.564 121.435 119.950 -0.132 0.000 2.588 81 F HA 0.611 5.137 4.527 -0.001 0.000 0.310 81 F C -0.800 174.932 175.800 -0.113 0.000 1.082 81 F CA -0.827 57.064 58.000 -0.182 0.000 0.929 81 F CB 2.015 40.917 39.000 -0.164 0.000 1.254 81 F HN 0.672 nan 8.300 nan 0.000 0.455 82 Y N 1.011 121.377 120.300 0.110 0.000 2.662 82 Y HA 0.610 5.160 4.550 -0.001 0.000 0.334 82 Y C -3.521 172.422 175.900 0.073 0.000 1.185 82 Y CA -3.291 54.845 58.100 0.060 0.000 1.074 82 Y CB 0.725 39.260 38.460 0.125 0.000 1.330 82 Y HN 0.229 nan 8.280 nan 0.000 0.458 83 P HA 0.168 nan 4.420 nan 0.000 0.297 83 P C 0.382 177.890 177.300 0.347 0.000 1.331 83 P CA -0.356 62.938 63.100 0.324 0.000 0.803 83 P CB 2.341 34.204 31.700 0.271 0.000 0.929 84 L N 4.885 126.264 121.223 0.260 0.000 1.989 84 L HA -0.215 4.124 4.340 -0.001 0.000 0.211 84 L C 2.188 179.077 176.870 0.032 0.000 1.071 84 L CA 2.774 57.654 54.840 0.068 0.000 0.749 84 L CB -1.551 40.377 42.059 -0.219 0.000 0.890 84 L HN 0.399 nan 8.230 nan 0.000 0.431 85 S N -1.673 114.074 115.700 0.078 0.000 2.584 85 S HA -0.092 4.378 4.470 -0.001 0.000 0.240 85 S C 0.588 175.207 174.600 0.031 0.000 0.975 85 S CA 0.840 59.084 58.200 0.073 0.000 0.949 85 S CB -0.502 62.759 63.200 0.101 0.000 0.761 85 S HN 0.667 nan 8.310 nan 0.000 0.536 86 D N -0.409 120.036 120.400 0.076 0.000 3.117 86 D HA 0.471 5.110 4.640 -0.001 0.000 0.241 86 D C 0.562 176.895 176.300 0.055 0.000 1.385 86 D CA 0.228 54.275 54.000 0.078 0.000 0.855 86 D CB 0.181 41.058 40.800 0.128 0.000 1.498 86 D HN 0.052 nan 8.370 nan 0.000 0.584 87 A N 1.251 124.067 122.820 -0.006 0.000 1.873 87 A HA -0.150 4.169 4.320 -0.001 0.000 0.215 87 A C 1.810 179.231 177.584 -0.271 0.000 1.186 87 A CA 1.223 53.161 52.037 -0.165 0.000 0.616 87 A CB -0.655 18.167 19.000 -0.297 0.000 0.823 87 A HN 0.549 nan 8.150 nan 0.000 0.442 88 Y N 0.133 120.199 120.300 -0.389 0.000 2.109 88 Y HA -0.203 4.346 4.550 -0.001 0.000 0.285 88 Y C 2.697 178.281 175.900 -0.526 0.000 1.131 88 Y CA 2.256 59.982 58.100 -0.623 0.000 1.121 88 Y CB -0.361 37.356 38.460 -1.240 0.000 0.987 88 Y HN 0.472 nan 8.280 nan 0.000 0.495 89 H N -0.561 118.381 119.070 -0.213 0.000 2.372 89 H HA 0.109 4.664 4.556 -0.001 0.000 0.301 89 H C 1.455 176.689 175.328 -0.156 0.000 1.065 89 H CA 0.684 56.615 56.048 -0.195 0.000 1.364 89 H CB -0.984 28.784 29.762 0.011 0.000 1.406 89 H HN 0.362 nan 8.280 nan 0.000 0.521 90 G N 1.160 109.981 108.800 0.035 0.000 2.855 90 G HA2 0.017 3.976 3.960 -0.001 0.000 0.248 90 G HA3 0.017 3.976 3.960 -0.001 0.000 0.248 90 G C 0.117 174.973 174.900 -0.075 0.000 1.243 90 G CA -0.346 44.762 45.100 0.013 0.000 0.881 90 G HN 0.240 nan 8.290 nan 0.000 0.598 91 K N -1.139 119.207 120.400 -0.089 0.000 2.156 91 K HA 0.567 4.886 4.320 -0.001 0.000 0.254 91 K C -0.221 176.321 176.600 -0.097 0.000 0.950 91 K CA -0.555 55.652 56.287 -0.133 0.000 0.849 91 K CB 1.398 33.772 32.500 -0.209 0.000 1.100 91 K HN 0.643 nan 8.250 nan 0.000 0.434 92 T N 1.066 115.587 114.554 -0.055 0.000 2.876 92 T HA 0.559 4.909 4.350 -0.001 0.000 0.289 92 T C -0.351 174.342 174.700 -0.011 0.000 1.014 92 T CA -0.845 61.279 62.100 0.041 0.000 0.986 92 T CB 0.702 69.682 68.868 0.187 0.000 1.021 92 T HN 0.454 nan 8.240 nan 0.000 0.458 93 I N 2.745 123.325 120.570 0.017 0.000 2.441 93 I HA 0.417 4.587 4.170 -0.001 0.000 0.295 93 I C -0.438 175.713 176.117 0.058 0.000 0.994 93 I CA -1.064 60.243 61.300 0.012 0.000 1.144 93 I CB 1.870 39.848 38.000 -0.037 0.000 1.314 93 I HN 0.604 nan 8.210 nan 0.000 0.445 94 N N 6.374 125.082 118.700 0.014 0.000 3.012 94 N HA 0.387 5.126 4.740 -0.001 0.000 0.270 94 N C -0.452 174.980 175.510 -0.131 0.000 1.469 94 N CA -0.298 52.707 53.050 -0.075 0.000 0.928 94 N CB 0.408 38.824 38.487 -0.118 0.000 1.219 94 N HN 0.472 nan 8.380 nan 0.000 0.492 95 I N 2.027 122.579 120.570 -0.029 0.000 2.725 95 I HA -0.106 4.063 4.170 -0.001 0.000 0.296 95 I C 0.818 176.893 176.117 -0.069 0.000 1.155 95 I CA 0.332 61.633 61.300 0.003 0.000 1.450 95 I CB -0.327 37.726 38.000 0.088 0.000 1.478 95 I HN 0.305 nan 8.210 nan 0.000 0.642 96 H N 6.384 125.374 119.070 -0.134 0.000 2.757 96 H HA 0.382 4.937 4.556 -0.001 0.000 0.370 96 H C -0.018 175.241 175.328 -0.114 0.000 1.172 96 H CA 0.226 56.148 56.048 -0.210 0.000 1.426 96 H CB 1.197 30.625 29.762 -0.557 0.000 1.438 96 H HN 0.419 nan 8.280 nan 0.000 0.612 97 L N 2.396 123.658 121.223 0.065 0.000 2.354 97 L HA 0.209 4.548 4.340 -0.001 0.000 0.264 97 L C -1.121 175.752 176.870 0.006 0.000 1.008 97 L CA -1.833 53.017 54.840 0.017 0.000 0.819 97 L CB 2.564 44.663 42.059 0.067 0.000 1.339 97 L HN 0.457 nan 8.230 nan 0.000 0.420 98 P HA -0.100 nan 4.420 nan 0.000 0.215 98 P C -0.193 177.118 177.300 0.019 0.000 1.153 98 P CA 1.225 64.320 63.100 -0.009 0.000 0.853 98 P CB 0.416 32.104 31.700 -0.019 0.000 0.788 99 N N -2.203 116.515 118.700 0.029 0.000 3.134 99 N HA 0.260 5.000 4.740 -0.001 0.000 0.235 99 N C -1.231 174.302 175.510 0.039 0.000 1.092 99 N CA -0.218 52.851 53.050 0.033 0.000 1.038 99 N CB 1.740 40.248 38.487 0.034 0.000 1.684 99 N HN 0.046 nan 8.380 nan 0.000 0.551 100 A N 1.471 124.300 122.820 0.014 0.000 2.617 100 A HA 0.034 4.353 4.320 -0.001 0.000 0.232 100 A C 0.978 178.581 177.584 0.032 0.000 1.027 100 A CA 1.068 53.097 52.037 -0.014 0.000 0.806 100 A CB -0.350 18.623 19.000 -0.045 0.000 0.908 100 A HN 0.726 nan 8.150 nan 0.000 0.484 101 S N 2.374 118.106 115.700 0.053 0.000 2.634 101 S HA 0.418 4.887 4.470 -0.001 0.000 0.261 101 S C 1.128 175.772 174.600 0.072 0.000 1.271 101 S CA 0.246 58.507 58.200 0.102 0.000 0.985 101 S CB 0.456 63.775 63.200 0.197 0.000 0.968 101 S HN 0.750 nan 8.310 nan 0.000 0.568 102 M N 1.248 120.898 119.600 0.083 0.000 2.315 102 M HA 0.025 4.504 4.480 -0.001 0.000 0.264 102 M C 0.814 177.182 176.300 0.112 0.000 1.075 102 M CA 1.883 57.234 55.300 0.085 0.000 1.093 102 M CB -1.010 31.630 32.600 0.066 0.000 1.251 102 M HN 0.842 nan 8.290 nan 0.000 0.449 103 N N 0.676 119.474 118.700 0.162 0.000 3.044 103 N HA 0.233 4.973 4.740 -0.001 0.000 0.254 103 N C -1.077 174.606 175.510 0.289 0.000 1.253 103 N CA -0.075 53.108 53.050 0.222 0.000 0.944 103 N CB 0.012 38.663 38.487 0.272 0.000 1.217 103 N HN 0.447 nan 8.380 nan 0.000 0.498 104 Q N -0.297 119.596 119.800 0.156 0.000 1.341 104 Q HA -0.378 3.961 4.340 -0.001 0.000 0.428 104 Q C 0.844 176.914 176.000 0.117 0.000 0.983 104 Q CA 1.901 57.739 55.803 0.059 0.000 0.569 104 Q CB -0.595 28.170 28.738 0.044 0.000 4.882 104 Q HN 0.693 nan 8.270 nan 0.000 0.593 105 R N -0.305 120.181 120.500 -0.023 0.000 2.438 105 R HA -0.183 4.156 4.340 -0.001 0.000 0.227 105 R C 1.205 177.291 176.300 -0.356 0.000 1.153 105 R CA 2.266 58.303 56.100 -0.104 0.000 1.059 105 R CB -0.480 29.600 30.300 -0.367 0.000 0.831 105 R HN 0.515 nan 8.270 nan 0.000 0.487 106 Y N 0.490 120.813 120.300 0.038 0.000 2.301 106 Y HA 0.039 4.588 4.550 -0.001 0.000 0.295 106 Y C 1.822 177.728 175.900 0.009 0.000 1.119 106 Y CA 1.258 59.389 58.100 0.052 0.000 1.162 106 Y CB -0.290 38.245 38.460 0.125 0.000 1.046 106 Y HN 0.256 nan 8.280 nan 0.000 0.538 107 T N -0.296 114.365 114.554 0.178 0.000 3.624 107 T HA 0.349 4.699 4.350 -0.001 0.000 0.231 107 T C -0.279 174.439 174.700 0.029 0.000 0.865 107 T CA -0.081 62.073 62.100 0.091 0.000 0.926 107 T CB -1.200 67.731 68.868 0.106 0.000 1.189 107 T HN 0.196 nan 8.240 nan 0.000 0.640 108 L N 0.111 121.304 121.223 -0.049 0.000 2.549 108 L HA 0.678 5.017 4.340 -0.001 0.000 0.259 108 L C -1.443 175.300 176.870 -0.211 0.000 0.934 108 L CA -0.338 54.414 54.840 -0.147 0.000 0.865 108 L CB 2.286 44.218 42.059 -0.211 0.000 1.352 108 L HN 0.291 nan 8.230 nan 0.000 0.410 109 T N 4.773 119.183 114.554 -0.240 0.000 2.933 109 T HA 0.679 5.028 4.350 -0.001 0.000 0.305 109 T C -1.368 173.136 174.700 -0.328 0.000 1.092 109 T CA -0.332 61.600 62.100 -0.280 0.000 1.008 109 T CB 1.323 70.039 68.868 -0.254 0.000 1.102 109 T HN 0.457 nan 8.240 nan 0.000 0.469 110 I N 4.766 125.106 120.570 -0.384 0.000 2.468 110 I HA 0.423 4.593 4.170 -0.001 0.000 0.284 110 I C -0.742 175.131 176.117 -0.408 0.000 1.038 110 I CA -0.778 60.282 61.300 -0.399 0.000 1.083 110 I CB 1.635 39.313 38.000 -0.535 0.000 1.223 110 I HN 0.436 nan 8.210 nan 0.000 0.443 111 Q N 5.014 124.556 119.800 -0.431 0.000 2.372 111 Q HA 0.327 4.667 4.340 -0.001 0.000 0.273 111 Q C -0.834 175.023 176.000 -0.238 0.000 1.078 111 Q CA -0.699 54.848 55.803 -0.426 0.000 0.806 111 Q CB 3.031 31.252 28.738 -0.862 0.000 1.332 111 Q HN 0.563 nan 8.270 nan 0.000 0.435 112 E N 2.408 122.521 120.200 -0.145 0.000 1.941 112 E HA 0.190 4.539 4.350 -0.001 0.000 0.275 112 E C 0.380 176.960 176.600 -0.034 0.000 1.113 112 E CA -0.165 56.191 56.400 -0.073 0.000 0.878 112 E CB 0.496 30.170 29.700 -0.044 0.000 1.070 112 E HN 0.403 nan 8.360 nan 0.000 0.399 113 V N 4.291 124.198 119.914 -0.012 0.000 2.232 113 V HA -0.224 3.895 4.120 -0.001 0.000 0.241 113 V C 0.428 176.541 176.094 0.032 0.000 1.036 113 V CA 1.570 63.893 62.300 0.038 0.000 0.993 113 V CB -0.314 31.545 31.823 0.060 0.000 0.639 113 V HN 0.716 nan 8.190 nan 0.000 0.459 114 E N -0.266 119.950 120.200 0.027 0.000 2.542 114 E HA 0.290 4.640 4.350 -0.001 0.000 0.298 114 E C -0.906 175.705 176.600 0.019 0.000 0.980 114 E CA -0.363 56.049 56.400 0.021 0.000 0.792 114 E CB 1.372 31.088 29.700 0.026 0.000 1.463 114 E HN 0.321 nan 8.360 nan 0.000 0.389 115 Q N 0.333 120.142 119.800 0.015 0.000 2.494 115 Q HA -0.237 4.102 4.340 -0.001 0.000 0.266 115 Q C -0.548 175.467 176.000 0.025 0.000 1.053 115 Q CA 1.334 57.151 55.803 0.022 0.000 1.029 115 Q CB -1.434 27.316 28.738 0.021 0.000 1.423 115 Q HN 0.716 nan 8.270 nan 0.000 0.516 116 Q N -0.796 119.011 119.800 0.013 0.000 2.522 116 Q HA 0.637 4.976 4.340 -0.001 0.000 0.285 116 Q C -1.077 174.905 176.000 -0.030 0.000 0.982 116 Q CA -0.733 55.069 55.803 -0.002 0.000 0.805 116 Q CB 1.701 30.446 28.738 0.012 0.000 1.457 116 Q HN 0.194 nan 8.270 nan 0.000 0.394 117 L N 2.535 123.717 121.223 -0.068 0.000 2.296 117 L HA 0.472 4.811 4.340 -0.001 0.000 0.286 117 L C -0.996 175.819 176.870 -0.092 0.000 1.023 117 L CA -0.823 53.953 54.840 -0.108 0.000 0.812 117 L CB 1.199 43.144 42.059 -0.190 0.000 1.223 117 L HN 0.400 nan 8.230 nan 0.000 0.421 118 L N 5.256 126.422 121.223 -0.095 0.000 2.276 118 L HA 0.471 4.811 4.340 -0.001 0.000 0.286 118 L C -0.457 176.339 176.870 -0.123 0.000 1.024 118 L CA -0.215 54.586 54.840 -0.065 0.000 0.826 118 L CB 1.548 43.598 42.059 -0.014 0.000 1.211 118 L HN 0.213 nan 8.230 nan 0.000 0.422 119 V N 5.037 124.888 119.914 -0.104 0.000 2.483 119 V HA 0.581 4.700 4.120 -0.001 0.000 0.295 119 V C -0.281 175.708 176.094 -0.174 0.000 1.035 119 V CA -0.808 61.404 62.300 -0.147 0.000 0.896 119 V CB 1.665 33.427 31.823 -0.102 0.000 0.986 119 V HN 0.755 nan 8.190 nan 0.000 0.447 120 N N 2.895 121.453 118.700 -0.236 0.000 2.296 120 N HA 0.640 5.379 4.740 -0.001 0.000 0.294 120 N C -1.515 173.813 175.510 -0.304 0.000 1.033 120 N CA -0.360 52.468 53.050 -0.370 0.000 0.839 120 N CB 2.820 41.108 38.487 -0.332 0.000 1.395 120 N HN 0.382 nan 8.380 nan 0.000 0.479 121 V N 3.099 122.816 119.914 -0.328 0.000 2.498 121 V HA 0.281 4.400 4.120 -0.001 0.000 0.283 121 V C 0.220 176.284 176.094 -0.050 0.000 1.015 121 V CA -0.581 61.638 62.300 -0.136 0.000 0.867 121 V CB 1.392 33.171 31.823 -0.073 0.000 1.025 121 V HN 0.614 nan 8.190 nan 0.000 0.441 122 I N 5.863 126.460 120.570 0.045 0.000 2.593 122 I HA 0.055 4.224 4.170 -0.001 0.000 0.304 122 I C 0.671 176.834 176.117 0.077 0.000 1.176 122 I CA 0.323 61.688 61.300 0.109 0.000 1.533 122 I CB -0.192 37.809 38.000 0.002 0.000 1.492 122 I HN 0.456 nan 8.210 nan 0.000 0.704 123 L N 6.131 127.410 121.223 0.093 0.000 2.473 123 L HA -0.035 4.304 4.340 -0.001 0.000 0.280 123 L C 1.843 178.768 176.870 0.092 0.000 1.266 123 L CA 0.105 54.998 54.840 0.089 0.000 0.824 123 L CB 0.104 42.214 42.059 0.085 0.000 1.091 123 L HN 0.527 nan 8.230 nan 0.000 0.534 124 K N 0.854 121.302 120.400 0.081 0.000 1.991 124 K HA -0.219 4.101 4.320 -0.001 0.000 0.212 124 K C 1.498 178.164 176.600 0.109 0.000 1.049 124 K CA 2.197 58.534 56.287 0.083 0.000 0.932 124 K CB -0.446 32.094 32.500 0.066 0.000 0.717 124 K HN 0.853 nan 8.250 nan 0.000 0.441 125 D N -0.786 119.677 120.400 0.105 0.000 2.397 125 D HA -0.140 4.499 4.640 -0.001 0.000 0.219 125 D C 1.047 177.449 176.300 0.171 0.000 0.975 125 D CA 1.265 55.336 54.000 0.118 0.000 0.940 125 D CB -0.282 40.577 40.800 0.098 0.000 0.884 125 D HN 0.457 nan 8.370 nan 0.000 0.505 126 G N -1.377 107.551 108.800 0.213 0.000 2.175 126 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.244 126 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.244 126 G C 0.473 175.613 174.900 0.399 0.000 0.982 126 G CA 0.173 45.495 45.100 0.370 0.000 0.641 126 G HN 0.478 nan 8.290 nan 0.000 0.527 127 S N -0.682 115.177 115.700 0.266 0.000 2.596 127 S HA 0.582 5.052 4.470 -0.001 0.000 0.260 127 S C -0.347 174.465 174.600 0.354 0.000 1.336 127 S CA 0.172 58.531 58.200 0.265 0.000 0.993 127 S CB 0.860 64.166 63.200 0.176 0.000 0.923 127 S HN 0.754 nan 8.310 nan 0.000 0.567 128 F N 2.369 122.411 119.950 0.153 0.000 2.564 128 F HA 0.416 4.943 4.527 -0.001 0.000 0.368 128 F C -0.812 175.070 175.800 0.136 0.000 1.127 128 F CA -1.211 56.866 58.000 0.130 0.000 1.170 128 F CB 0.229 39.321 39.000 0.154 0.000 1.397 128 F HN 0.290 nan 8.300 nan 0.000 0.493 129 L N 4.345 125.487 121.223 -0.136 0.000 2.410 129 L HA 0.419 4.758 4.340 -0.001 0.000 0.273 129 L C -0.277 176.429 176.870 -0.274 0.000 1.152 129 L CA 0.714 55.484 54.840 -0.117 0.000 0.855 129 L CB 0.675 42.692 42.059 -0.070 0.000 1.129 129 L HN 0.535 nan 8.230 nan 0.000 0.463 130 T N 6.670 121.178 114.554 -0.077 0.000 2.906 130 T HA 0.487 4.837 4.350 -0.001 0.000 0.302 130 T C -0.228 174.432 174.700 -0.068 0.000 1.002 130 T CA -0.443 61.629 62.100 -0.047 0.000 0.988 130 T CB 0.631 69.637 68.868 0.230 0.000 0.972 130 T HN 0.413 nan 8.240 nan 0.000 0.447 131 L N 3.154 124.356 121.223 -0.034 0.000 2.360 131 L HA 0.571 4.910 4.340 -0.001 0.000 0.271 131 L C 0.193 177.093 176.870 0.050 0.000 1.057 131 L CA -0.844 54.028 54.840 0.053 0.000 0.803 131 L CB 1.100 43.235 42.059 0.126 0.000 1.207 131 L HN 0.536 nan 8.230 nan 0.000 0.445 132 Q N 4.007 123.876 119.800 0.115 0.000 2.414 132 Q HA 0.514 4.853 4.340 -0.001 0.000 0.256 132 Q C -1.464 174.574 176.000 0.064 0.000 0.974 132 Q CA -0.261 55.591 55.803 0.081 0.000 0.723 132 Q CB 2.153 30.951 28.738 0.101 0.000 1.281 132 Q HN 0.488 nan 8.270 nan 0.000 0.470 133 L N 3.345 124.545 121.223 -0.038 0.000 2.296 133 L HA 0.564 4.903 4.340 -0.001 0.000 0.286 133 L C -2.357 174.479 176.870 -0.055 0.000 1.023 133 L CA -2.260 52.519 54.840 -0.101 0.000 0.812 133 L CB 1.317 43.240 42.059 -0.226 0.000 1.223 133 L HN 0.225 nan 8.230 nan 0.000 0.421 134 P HA 0.033 nan 4.420 nan 0.000 0.271 134 P C 0.468 177.793 177.300 0.040 0.000 1.216 134 P CA -0.409 62.706 63.100 0.025 0.000 0.776 134 P CB 0.933 32.656 31.700 0.040 0.000 0.881 135 L N 3.782 125.039 121.223 0.057 0.000 1.989 135 L HA -0.242 4.097 4.340 -0.001 0.000 0.211 135 L C 2.215 179.188 176.870 0.172 0.000 1.071 135 L CA 2.580 57.492 54.840 0.120 0.000 0.749 135 L CB -1.503 40.642 42.059 0.143 0.000 0.890 135 L HN 0.430 nan 8.230 nan 0.000 0.431 136 S N -1.312 114.481 115.700 0.154 0.000 2.400 136 S HA -0.291 4.178 4.470 -0.001 0.000 0.232 136 S C 2.014 176.671 174.600 0.094 0.000 1.025 136 S CA 1.335 59.628 58.200 0.155 0.000 0.993 136 S CB -1.385 61.880 63.200 0.109 0.000 0.808 136 S HN 0.417 nan 8.310 nan 0.000 0.478 137 F N 2.144 122.045 119.950 -0.082 0.000 2.494 137 F HA 0.228 4.754 4.527 -0.001 0.000 0.298 137 F C 1.506 177.169 175.800 -0.229 0.000 1.106 137 F CA 0.143 58.053 58.000 -0.149 0.000 1.452 137 F CB -0.308 38.574 39.000 -0.196 0.000 1.085 137 F HN 0.169 nan 8.300 nan 0.000 0.569 138 L N -1.660 119.263 121.223 -0.500 0.000 2.200 138 L HA -0.026 4.313 4.340 -0.001 0.000 0.200 138 L C 1.351 177.746 176.870 -0.791 0.000 1.072 138 L CA 0.676 55.017 54.840 -0.831 0.000 0.787 138 L CB -0.598 40.805 42.059 -1.094 0.000 0.957 138 L HN -0.066 nan 8.230 nan 0.000 0.459 139 F N -0.106 119.758 119.950 -0.142 0.000 2.645 139 F HA 0.146 4.672 4.527 -0.001 0.000 0.300 139 F C 1.534 177.284 175.800 -0.083 0.000 1.115 139 F CA -0.398 57.548 58.000 -0.090 0.000 1.355 139 F CB -0.483 38.487 39.000 -0.050 0.000 1.026 139 F HN 0.004 nan 8.300 nan 0.000 0.536 140 S N -1.501 114.179 115.700 -0.033 0.000 2.561 140 S HA 0.375 4.845 4.470 -0.001 0.000 0.282 140 S C 1.312 175.877 174.600 -0.058 0.000 1.123 140 S CA 0.259 58.452 58.200 -0.011 0.000 1.011 140 S CB 1.068 64.279 63.200 0.018 0.000 1.244 140 S HN -0.003 nan 8.310 nan 0.000 0.503 141 S N -0.499 115.186 115.700 -0.026 0.000 2.599 141 S HA 0.442 4.912 4.470 -0.001 0.000 0.236 141 S C 0.908 175.502 174.600 -0.010 0.000 1.077 141 S CA 0.331 58.514 58.200 -0.028 0.000 0.906 141 S CB -1.105 62.093 63.200 -0.003 0.000 0.804 141 S HN 1.262 nan 8.310 nan 0.000 0.497 142 A N 1.939 124.790 122.820 0.053 0.000 2.602 142 A HA -0.058 4.262 4.320 -0.001 0.000 0.257 142 A C 0.424 178.110 177.584 0.170 0.000 0.973 142 A CA 0.690 52.812 52.037 0.140 0.000 0.862 142 A CB -0.501 18.662 19.000 0.272 0.000 0.855 142 A HN 0.649 nan 8.150 nan 0.000 0.492 143 N N 0.492 119.263 118.700 0.119 0.000 2.268 143 N HA 0.179 4.919 4.740 -0.001 0.000 0.204 143 N C -0.630 174.959 175.510 0.132 0.000 1.124 143 N CA 0.672 53.786 53.050 0.106 0.000 0.838 143 N CB 0.584 39.104 38.487 0.055 0.000 0.994 143 N HN 0.646 nan 8.380 nan 0.000 0.489 144 T N -0.214 114.430 114.554 0.150 0.000 2.889 144 T HA 0.437 4.787 4.350 -0.001 0.000 0.315 144 T C -1.834 172.755 174.700 -0.185 0.000 1.291 144 T CA -0.570 61.543 62.100 0.021 0.000 1.028 144 T CB 2.098 70.972 68.868 0.010 0.000 1.235 144 T HN -0.175 nan 8.240 nan 0.000 0.491 145 L N 3.190 124.197 121.223 -0.360 0.000 2.439 145 L HA 0.639 4.978 4.340 -0.001 0.000 0.270 145 L C -1.273 175.474 176.870 -0.204 0.000 0.972 145 L CA -0.348 54.128 54.840 -0.606 0.000 0.836 145 L CB 1.372 42.653 42.059 -1.296 0.000 1.255 145 L HN 0.562 nan 8.230 nan 0.000 0.404 146 N N 3.094 121.735 118.700 -0.099 0.000 2.381 146 N HA 0.884 5.623 4.740 -0.001 0.000 0.294 146 N C -0.028 175.525 175.510 0.072 0.000 1.216 146 N CA 0.160 53.234 53.050 0.040 0.000 0.803 146 N CB 2.171 40.663 38.487 0.008 0.000 1.372 146 N HN 0.918 nan 8.380 nan 0.000 0.500 147 G N 0.408 109.250 108.800 0.071 0.000 2.472 147 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.205 147 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.205 147 G C -1.316 173.589 174.900 0.007 0.000 1.270 147 G CA -0.714 44.406 45.100 0.033 0.000 0.974 147 G HN 0.527 nan 8.290 nan 0.000 0.542 148 E N 1.594 121.782 120.200 -0.019 0.000 2.063 148 E HA 0.291 4.641 4.350 -0.001 0.000 0.265 148 E C 0.760 177.330 176.600 -0.050 0.000 0.919 148 E CA -0.512 55.810 56.400 -0.129 0.000 0.756 148 E CB 0.307 29.962 29.700 -0.075 0.000 1.120 148 E HN 0.606 nan 8.360 nan 0.000 0.414 149 W N 3.912 125.096 121.300 -0.193 0.000 2.901 149 W HA 0.170 4.829 4.660 -0.001 0.000 0.281 149 W C 0.052 176.427 176.519 -0.240 0.000 1.167 149 W CA -0.277 56.967 57.345 -0.169 0.000 1.506 149 W CB 0.025 29.413 29.460 -0.120 0.000 0.985 149 W HN 0.201 nan 8.180 nan 0.000 0.590 150 F N 3.018 122.375 119.950 -0.990 0.000 2.576 150 F HA 0.704 5.231 4.527 -0.001 0.000 0.313 150 F C -1.343 173.995 175.800 -0.769 0.000 1.078 150 F CA -1.947 55.472 58.000 -0.968 0.000 0.921 150 F CB 0.923 39.217 39.000 -1.176 0.000 1.232 150 F HN 0.022 nan 8.300 nan 0.000 0.459 151 H N 2.754 121.859 119.070 0.058 0.000 3.129 151 H HA 0.533 5.088 4.556 -0.001 0.000 0.342 151 H C -1.445 173.934 175.328 0.086 0.000 1.092 151 H CA -1.358 54.688 56.048 -0.004 0.000 1.310 151 H CB 0.124 29.826 29.762 -0.100 0.000 1.932 151 H HN 0.860 nan 8.280 nan 0.000 0.507 152 L N 1.434 122.805 121.223 0.246 0.000 2.598 152 L HA 0.473 4.812 4.340 -0.001 0.000 0.202 152 L C 0.442 177.415 176.870 0.172 0.000 1.190 152 L CA -0.151 54.802 54.840 0.188 0.000 0.869 152 L CB 0.378 42.528 42.059 0.152 0.000 1.529 152 L HN 0.820 nan 8.230 nan 0.000 0.520 153 Q N -0.983 118.923 119.800 0.177 0.000 3.107 153 Q HA 0.214 4.554 4.340 -0.001 0.000 0.319 153 Q C -1.827 174.288 176.000 0.192 0.000 0.868 153 Q CA -0.618 55.286 55.803 0.167 0.000 0.825 153 Q CB 0.993 29.886 28.738 0.258 0.000 1.553 153 Q HN 0.589 nan 8.270 nan 0.000 0.489 154 N N 0.556 119.344 118.700 0.147 0.000 2.528 154 N HA 0.175 4.914 4.740 -0.001 0.000 0.266 154 N C -2.521 173.018 175.510 0.048 0.000 1.528 154 N CA -0.261 52.863 53.050 0.125 0.000 0.959 154 N CB 1.273 39.803 38.487 0.073 0.000 1.430 154 N HN 0.286 nan 8.380 nan 0.000 0.511 155 P HA -0.025 nan 4.420 nan 0.000 0.249 155 P C -0.894 176.394 177.300 -0.019 0.000 1.227 155 P CA 1.038 64.149 63.100 0.019 0.000 0.753 155 P CB -0.343 31.381 31.700 0.040 0.000 0.966 156 Y N -1.535 118.570 120.300 -0.325 0.000 2.638 156 Y HA 0.220 4.769 4.550 -0.001 0.000 0.334 156 Y C -1.546 173.961 175.900 -0.655 0.000 1.182 156 Y CA -1.541 56.215 58.100 -0.573 0.000 1.102 156 Y CB 0.915 38.819 38.460 -0.928 0.000 1.343 156 Y HN -0.364 nan 8.280 nan 0.000 0.463 157 D N 3.506 123.069 120.400 -1.395 0.000 2.494 157 D HA 0.230 4.869 4.640 -0.001 0.000 0.217 157 D C -0.525 175.423 176.300 -0.588 0.000 1.153 157 D CA -0.012 53.503 54.000 -0.808 0.000 0.954 157 D CB -0.193 40.235 40.800 -0.620 0.000 1.034 157 D HN 0.365 nan 8.370 nan 0.000 0.518 158 F N 1.760 121.772 119.950 0.102 0.000 2.703 158 F HA 0.112 4.639 4.527 -0.001 0.000 0.299 158 F C 1.978 177.858 175.800 0.132 0.000 1.229 158 F CA 0.071 58.225 58.000 0.256 0.000 1.430 158 F CB -0.331 38.813 39.000 0.241 0.000 1.053 158 F HN 0.286 nan 8.300 nan 0.000 0.513 159 T N -1.156 113.488 114.554 0.150 0.000 2.976 159 T HA -0.050 4.299 4.350 -0.001 0.000 0.257 159 T C 2.203 176.970 174.700 0.111 0.000 1.051 159 T CA 1.348 63.512 62.100 0.106 0.000 1.141 159 T CB -0.188 68.696 68.868 0.027 0.000 0.881 159 T HN 0.228 nan 8.240 nan 0.000 0.461 160 V N 0.524 120.497 119.914 0.099 0.000 2.284 160 V HA 0.209 4.329 4.120 -0.001 0.000 0.236 160 V C 0.864 177.067 176.094 0.181 0.000 1.044 160 V CA 0.488 62.856 62.300 0.113 0.000 1.019 160 V CB -0.644 31.225 31.823 0.077 0.000 0.657 160 V HN 0.165 nan 8.190 nan 0.000 0.465 161 R N 1.229 121.891 120.500 0.271 0.000 2.565 161 R HA 0.576 4.916 4.340 -0.001 0.000 0.286 161 R C -0.527 175.985 176.300 0.355 0.000 1.256 161 R CA -0.234 56.032 56.100 0.277 0.000 1.238 161 R CB 1.183 31.648 30.300 0.274 0.000 1.153 161 R HN 0.429 nan 8.270 nan 0.000 0.553 162 V N 4.643 124.715 119.914 0.263 0.000 2.740 162 V HA 0.216 4.335 4.120 -0.001 0.000 0.303 162 V C -1.809 174.377 176.094 0.153 0.000 1.054 162 V CA -1.464 60.981 62.300 0.242 0.000 1.106 162 V CB 1.152 33.076 31.823 0.168 0.000 0.957 162 V HN 0.561 nan 8.190 nan 0.000 0.486 163 P HA 0.451 nan 4.420 nan 0.000 0.301 163 P C -0.875 176.551 177.300 0.209 0.000 1.309 163 P CA 0.099 63.244 63.100 0.075 0.000 0.782 163 P CB 1.433 33.029 31.700 -0.173 0.000 1.282 164 H N -3.037 116.104 119.070 0.120 0.000 3.723 164 H HA 0.215 4.771 4.556 -0.001 0.000 0.254 164 H C -1.293 174.214 175.328 0.298 0.000 1.097 164 H CA -0.090 56.056 56.048 0.163 0.000 1.170 164 H CB -0.380 29.455 29.762 0.123 0.000 1.378 164 H HN 0.261 nan 8.280 nan 0.000 0.834 165 F N 2.956 122.967 119.950 0.101 0.000 2.622 165 F HA 0.452 4.979 4.527 -0.001 0.000 0.338 165 F C -0.955 175.015 175.800 0.283 0.000 1.334 165 F CA -1.334 56.710 58.000 0.073 0.000 1.179 165 F CB 0.344 39.271 39.000 -0.120 0.000 1.471 165 F HN 0.033 nan 8.300 nan 0.000 0.576 166 L N 4.006 125.186 121.223 -0.070 0.000 2.499 166 L HA 0.234 4.574 4.340 -0.001 0.000 0.273 166 L C -0.908 175.755 176.870 -0.345 0.000 1.195 166 L CA 0.740 55.490 54.840 -0.149 0.000 0.882 166 L CB -0.065 41.956 42.059 -0.063 0.000 1.133 166 L HN 0.486 nan 8.230 nan 0.000 0.483 167 F N 4.784 124.486 119.950 -0.414 0.000 2.671 167 F HA 0.507 5.033 4.527 -0.001 0.000 0.373 167 F C -1.266 174.444 175.800 -0.149 0.000 1.122 167 F CA -0.545 57.234 58.000 -0.369 0.000 1.082 167 F CB 1.337 40.175 39.000 -0.271 0.000 1.399 167 F HN 0.406 nan 8.300 nan 0.000 0.509 168 Y N 1.715 121.770 120.300 -0.408 0.000 2.332 168 Y HA 0.489 5.038 4.550 -0.001 0.000 0.325 168 Y C -0.980 174.955 175.900 0.057 0.000 1.054 168 Y CA -0.649 57.331 58.100 -0.199 0.000 1.119 168 Y CB 1.231 39.505 38.460 -0.311 0.000 1.168 168 Y HN 0.342 nan 8.280 nan 0.000 0.439 169 V N 2.700 122.283 119.914 -0.552 0.000 2.735 169 V HA 0.267 4.387 4.120 -0.001 0.000 0.234 169 V C 0.248 176.029 176.094 -0.522 0.000 1.121 169 V CA 0.884 62.980 62.300 -0.340 0.000 1.160 169 V CB 0.147 31.847 31.823 -0.204 0.000 0.908 169 V HN 0.650 nan 8.190 nan 0.000 0.495 170 S N -0.461 114.913 115.700 -0.544 0.000 2.709 170 S HA 0.477 4.947 4.470 -0.001 0.000 0.302 170 S C -2.238 172.207 174.600 -0.257 0.000 1.127 170 S CA -0.835 57.193 58.200 -0.286 0.000 0.905 170 S CB 1.928 65.125 63.200 -0.005 0.000 1.151 170 S HN 0.038 nan 8.310 nan 0.000 0.510 171 P HA -0.123 nan 4.420 nan 0.000 0.218 171 P C 1.318 178.756 177.300 0.230 0.000 1.149 171 P CA 0.992 64.227 63.100 0.224 0.000 0.817 171 P CB 0.156 31.967 31.700 0.185 0.000 0.785 172 Q N -2.072 117.840 119.800 0.187 0.000 2.373 172 Q HA 0.089 4.429 4.340 -0.001 0.000 0.210 172 Q C 0.370 176.581 176.000 0.351 0.000 0.913 172 Q CA 0.617 56.570 55.803 0.251 0.000 0.911 172 Q CB -0.288 28.553 28.738 0.172 0.000 1.040 172 Q HN 0.225 nan 8.270 nan 0.000 0.521 173 F N 1.837 121.815 119.950 0.047 0.000 2.593 173 F HA 0.603 5.129 4.527 -0.001 0.000 0.320 173 F C -1.183 174.558 175.800 -0.099 0.000 1.060 173 F CA -0.814 57.191 58.000 0.009 0.000 0.940 173 F CB 2.265 41.269 39.000 0.006 0.000 1.268 173 F HN 0.099 nan 8.300 nan 0.000 0.475 174 S N 3.271 118.303 115.700 -1.114 0.000 2.658 174 S HA 0.503 4.972 4.470 -0.001 0.000 0.312 174 S C -1.237 172.799 174.600 -0.940 0.000 1.006 174 S CA -0.659 57.026 58.200 -0.859 0.000 0.855 174 S CB -0.066 62.915 63.200 -0.366 0.000 1.053 174 S HN 1.341 nan 8.310 nan 0.000 0.455 175 V N 1.187 120.633 119.914 -0.780 0.000 3.083 175 V HA 0.918 5.038 4.120 -0.001 0.000 0.306 175 V C 0.349 176.126 176.094 -0.528 0.000 1.077 175 V CA -0.370 61.553 62.300 -0.629 0.000 1.073 175 V CB 0.921 32.367 31.823 -0.628 0.000 1.081 175 V HN 0.920 nan 8.190 nan 0.000 0.474 176 V N 1.149 120.715 119.914 -0.580 0.000 3.284 176 V HA 0.719 4.838 4.120 -0.001 0.000 0.309 176 V C -0.802 174.868 176.094 -0.706 0.000 1.190 176 V CA -0.523 61.519 62.300 -0.430 0.000 1.038 176 V CB 1.697 33.369 31.823 -0.251 0.000 1.198 176 V HN 0.845 nan 8.190 nan 0.000 0.465 177 F N 0.343 120.332 119.950 0.064 0.000 2.651 177 F HA 0.576 5.102 4.527 -0.001 0.000 0.329 177 F C -0.524 175.399 175.800 0.206 0.000 1.186 177 F CA -0.464 57.633 58.000 0.162 0.000 1.046 177 F CB 1.227 40.423 39.000 0.326 0.000 1.296 177 F HN 0.162 nan 8.300 nan 0.000 0.497 178 L N 2.624 124.003 121.223 0.260 0.000 2.375 178 L HA 0.499 4.838 4.340 -0.001 0.000 0.268 178 L C 1.198 178.020 176.870 -0.081 0.000 1.058 178 L CA -0.660 54.241 54.840 0.102 0.000 0.803 178 L CB 0.988 43.093 42.059 0.077 0.000 1.212 178 L HN 0.627 nan 8.230 nan 0.000 0.451 179 E N 0.524 120.596 120.200 -0.214 0.000 2.463 179 E HA -0.144 4.205 4.350 -0.001 0.000 0.201 179 E C -0.391 175.996 176.600 -0.355 0.000 1.045 179 E CA 0.668 56.869 56.400 -0.332 0.000 0.872 179 E CB -0.028 29.608 29.700 -0.108 0.000 0.797 179 E HN 0.601 nan 8.360 nan 0.000 0.538 180 D N -0.424 119.798 120.400 -0.296 0.000 3.163 180 D HA 0.158 4.797 4.640 -0.001 0.000 0.284 180 D C 0.923 177.084 176.300 -0.232 0.000 1.368 180 D CA -0.195 53.528 54.000 -0.461 0.000 0.895 180 D CB 0.048 40.715 40.800 -0.222 0.000 1.061 180 D HN 0.080 nan 8.370 nan 0.000 0.496 181 G N -0.112 108.577 108.800 -0.185 0.000 2.219 181 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.271 181 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.271 181 G C 0.715 175.682 174.900 0.111 0.000 0.991 181 G CA 0.364 45.458 45.100 -0.010 0.000 0.685 181 G HN 0.795 nan 8.290 nan 0.000 0.531 182 G N -0.763 108.090 108.800 0.090 0.000 2.528 182 G HA2 0.823 4.782 3.960 -0.001 0.000 0.289 182 G HA3 0.823 4.782 3.960 -0.001 0.000 0.289 182 G C -0.267 174.729 174.900 0.160 0.000 1.192 182 G CA -0.373 44.804 45.100 0.128 0.000 0.921 182 G HN 1.422 nan 8.290 nan 0.000 0.512 183 L N -0.767 120.491 121.223 0.058 0.000 2.588 183 L HA 0.595 4.934 4.340 -0.001 0.000 0.263 183 L C -0.532 176.274 176.870 -0.106 0.000 0.935 183 L CA -1.052 53.721 54.840 -0.111 0.000 0.891 183 L CB 1.408 43.266 42.059 -0.336 0.000 1.318 183 L HN 0.535 nan 8.230 nan 0.000 0.409 184 L N 2.340 123.425 121.223 -0.229 0.000 2.618 184 L HA 1.057 5.396 4.340 -0.001 0.000 0.156 184 L C 0.529 177.182 176.870 -0.361 0.000 1.675 184 L CA 0.846 55.507 54.840 -0.299 0.000 3.113 184 L CB 0.810 42.682 42.059 -0.312 0.000 3.006 184 L HN 0.965 nan 8.230 nan 0.000 0.867 185 G N -0.714 107.934 108.800 -0.253 0.000 2.429 185 G HA2 0.480 4.440 3.960 -0.001 0.000 0.300 185 G HA3 0.480 4.440 3.960 -0.001 0.000 0.300 185 G C -2.518 172.416 174.900 0.056 0.000 1.598 185 G CA -0.632 44.429 45.100 -0.064 0.000 0.863 185 G HN 0.344 nan 8.290 nan 0.000 0.614 186 L N 1.507 122.853 121.223 0.205 0.000 2.446 186 L HA 0.510 4.850 4.340 -0.001 0.000 0.268 186 L C 0.021 177.207 176.870 0.527 0.000 0.975 186 L CA -0.697 54.244 54.840 0.168 0.000 0.848 186 L CB 1.962 43.888 42.059 -0.222 0.000 1.225 186 L HN 0.709 nan 8.230 nan 0.000 0.410 187 K N 2.249 122.910 120.400 0.434 0.000 2.235 187 K HA 0.523 4.842 4.320 -0.001 0.000 0.266 187 K C -0.600 176.180 176.600 0.300 0.000 0.980 187 K CA -0.802 55.703 56.287 0.362 0.000 0.849 187 K CB 2.067 34.637 32.500 0.116 0.000 1.098 187 K HN 0.306 nan 8.250 nan 0.000 0.445 188 K N 3.993 124.564 120.400 0.284 0.000 2.264 188 K HA 0.107 4.427 4.320 -0.001 0.000 0.277 188 K C 0.324 176.938 176.600 0.024 0.000 1.067 188 K CA -0.557 55.762 56.287 0.053 0.000 0.900 188 K CB 1.070 33.628 32.500 0.097 0.000 1.124 188 K HN 0.609 nan 8.250 nan 0.000 0.469 189 V N 3.562 123.463 119.914 -0.022 0.000 2.300 189 V HA -0.161 3.959 4.120 -0.001 0.000 0.241 189 V C 1.572 177.640 176.094 -0.042 0.000 1.034 189 V CA 1.494 63.779 62.300 -0.027 0.000 1.021 189 V CB -0.472 31.325 31.823 -0.043 0.000 0.662 189 V HN 0.878 nan 8.190 nan 0.000 0.458 190 D N 0.670 121.027 120.400 -0.072 0.000 2.357 190 D HA 0.101 4.740 4.640 -0.001 0.000 0.284 190 D C 1.605 177.876 176.300 -0.048 0.000 1.184 190 D CA 0.991 54.948 54.000 -0.072 0.000 0.973 190 D CB -0.024 40.705 40.800 -0.118 0.000 0.945 190 D HN 0.281 nan 8.370 nan 0.000 0.279 191 G N -1.390 107.380 108.800 -0.050 0.000 2.759 191 G HA2 0.313 4.272 3.960 -0.001 0.000 0.208 191 G HA3 0.313 4.272 3.960 -0.001 0.000 0.208 191 G C 0.077 174.951 174.900 -0.044 0.000 1.076 191 G CA -0.037 45.050 45.100 -0.021 0.000 0.789 191 G HN 0.297 nan 8.290 nan 0.000 0.546 192 V N 1.444 121.302 119.914 -0.094 0.000 3.020 192 V HA 0.401 4.521 4.120 -0.001 0.000 0.275 192 V C -1.406 174.571 176.094 -0.195 0.000 0.868 192 V CA -0.629 61.548 62.300 -0.205 0.000 1.087 192 V CB 0.559 32.163 31.823 -0.364 0.000 0.954 192 V HN 0.316 nan 8.190 nan 0.000 0.495 193 H N 1.143 119.858 119.070 -0.591 0.000 3.086 193 H HA 0.721 5.277 4.556 -0.001 0.000 0.353 193 H C -1.730 173.209 175.328 -0.648 0.000 1.134 193 H CA -0.506 55.273 56.048 -0.448 0.000 1.248 193 H CB 1.862 31.490 29.762 -0.223 0.000 1.878 193 H HN 0.359 nan 8.280 nan 0.000 0.527 194 Y N 0.651 120.999 120.300 0.079 0.000 2.457 194 Y HA 0.467 5.016 4.550 -0.001 0.000 0.343 194 Y C -0.443 175.464 175.900 0.012 0.000 0.994 194 Y CA -0.791 57.336 58.100 0.045 0.000 1.031 194 Y CB 2.199 40.635 38.460 -0.040 0.000 1.246 194 Y HN 0.472 nan 8.280 nan 0.000 0.449 195 E N 4.280 124.583 120.200 0.171 0.000 2.263 195 E HA 0.298 4.647 4.350 -0.001 0.000 0.268 195 E C -2.821 173.816 176.600 0.061 0.000 0.884 195 E CA -2.545 53.908 56.400 0.090 0.000 0.766 195 E CB 2.310 32.050 29.700 0.067 0.000 1.196 195 E HN 0.248 nan 8.360 nan 0.000 0.416 196 P HA -0.084 nan 4.420 nan 0.000 0.261 196 P C -0.484 176.793 177.300 -0.038 0.000 1.165 196 P CA 0.615 63.701 63.100 -0.024 0.000 0.759 196 P CB 0.567 32.263 31.700 -0.007 0.000 0.772 197 L N 4.066 125.235 121.223 -0.090 0.000 2.529 197 L HA 0.289 4.629 4.340 -0.001 0.000 0.246 197 L C 0.776 177.467 176.870 -0.299 0.000 1.394 197 L CA -0.678 54.108 54.840 -0.091 0.000 0.906 197 L CB 0.497 42.576 42.059 0.034 0.000 1.170 197 L HN 0.283 nan 8.230 nan 0.000 0.501 198 L N 0.326 121.397 121.223 -0.252 0.000 2.498 198 L HA -0.004 4.336 4.340 -0.001 0.000 0.293 198 L C 0.580 177.305 176.870 -0.242 0.000 1.271 198 L CA 1.035 55.691 54.840 -0.306 0.000 0.831 198 L CB 0.359 42.378 42.059 -0.067 0.000 1.091 198 L HN 0.317 nan 8.230 nan 0.000 0.535 199 F N -0.325 119.728 119.950 0.172 0.000 2.393 199 F HA 0.153 4.679 4.527 -0.001 0.000 0.205 199 F C 1.598 177.595 175.800 0.329 0.000 1.104 199 F CA -0.059 58.127 58.000 0.310 0.000 1.070 199 F CB -0.260 38.858 39.000 0.197 0.000 1.368 199 F HN 0.521 nan 8.300 nan 0.000 0.607 200 N N -0.631 118.453 118.700 0.640 0.000 2.075 200 N HA -0.071 4.669 4.740 -0.001 0.000 0.226 200 N C 0.988 176.722 175.510 0.374 0.000 1.343 200 N CA 0.347 53.648 53.050 0.418 0.000 0.881 200 N CB 0.082 38.772 38.487 0.339 0.000 1.100 200 N HN 0.234 nan 8.380 nan 0.000 0.495 201 D N 1.878 122.558 120.400 0.465 0.000 2.133 201 D HA -0.177 4.463 4.640 -0.001 0.000 0.192 201 D C 1.181 177.675 176.300 0.323 0.000 1.001 201 D CA 1.036 55.257 54.000 0.368 0.000 0.844 201 D CB -0.256 40.808 40.800 0.439 0.000 0.944 201 D HN 0.244 nan 8.370 nan 0.000 0.447 202 N N 0.325 119.184 118.700 0.264 0.000 2.200 202 N HA -0.272 4.468 4.740 -0.001 0.000 0.199 202 N C 1.917 177.544 175.510 0.195 0.000 0.987 202 N CA 2.138 55.307 53.050 0.199 0.000 0.908 202 N CB -0.648 37.935 38.487 0.161 0.000 1.035 202 N HN 0.418 nan 8.380 nan 0.000 0.481 203 S N 0.476 116.315 115.700 0.232 0.000 2.351 203 S HA -0.162 4.308 4.470 -0.001 0.000 0.220 203 S C 1.880 176.572 174.600 0.152 0.000 1.035 203 S CA 1.053 59.355 58.200 0.171 0.000 1.031 203 S CB -1.053 62.250 63.200 0.172 0.000 0.928 203 S HN 0.333 nan 8.310 nan 0.000 0.433 204 Y N 2.207 122.542 120.300 0.058 0.000 2.569 204 Y HA 0.198 4.747 4.550 -0.001 0.000 0.293 204 Y C 2.034 177.970 175.900 0.060 0.000 1.144 204 Y CA 0.125 58.249 58.100 0.041 0.000 1.321 204 Y CB -0.611 37.860 38.460 0.018 0.000 0.982 204 Y HN 0.241 nan 8.280 nan 0.000 0.558 205 L N -0.800 120.558 121.223 0.224 0.000 2.200 205 L HA -0.060 4.279 4.340 -0.001 0.000 0.200 205 L C 2.194 179.141 176.870 0.130 0.000 1.072 205 L CA 0.758 55.695 54.840 0.162 0.000 0.787 205 L CB -0.357 41.792 42.059 0.150 0.000 0.957 205 L HN -0.041 nan 8.230 nan 0.000 0.459 206 K N 0.435 120.904 120.400 0.116 0.000 2.147 206 K HA -0.102 4.218 4.320 -0.001 0.000 0.205 206 K C 2.176 178.827 176.600 0.084 0.000 1.049 206 K CA 1.733 58.074 56.287 0.091 0.000 0.936 206 K CB -0.137 32.410 32.500 0.078 0.000 0.722 206 K HN 0.351 nan 8.250 nan 0.000 0.446 207 S N 0.936 116.682 115.700 0.077 0.000 2.496 207 S HA -0.031 4.439 4.470 -0.001 0.000 0.224 207 S C 1.669 176.349 174.600 0.134 0.000 0.996 207 S CA 0.185 58.430 58.200 0.074 0.000 0.927 207 S CB -0.116 63.092 63.200 0.014 0.000 0.774 207 S HN 0.132 nan 8.310 nan 0.000 0.524 208 L N 2.388 123.707 121.223 0.159 0.000 2.650 208 L HA 0.203 4.542 4.340 -0.001 0.000 0.235 208 L C 1.592 178.614 176.870 0.252 0.000 1.149 208 L CA 0.881 55.878 54.840 0.260 0.000 0.887 208 L CB -0.822 41.375 42.059 0.230 0.000 1.021 208 L HN 0.237 nan 8.230 nan 0.000 0.441 209 T N -1.438 113.213 114.554 0.161 0.000 2.983 209 T HA 0.011 4.360 4.350 -0.001 0.000 0.250 209 T C 1.858 176.600 174.700 0.069 0.000 1.037 209 T CA 0.708 62.867 62.100 0.099 0.000 1.142 209 T CB 0.032 68.945 68.868 0.075 0.000 0.876 209 T HN 0.324 nan 8.240 nan 0.000 0.455 210 R N 0.299 120.856 120.500 0.096 0.000 2.189 210 R HA 0.162 4.501 4.340 -0.001 0.000 0.218 210 R C 0.829 177.205 176.300 0.127 0.000 1.074 210 R CA 0.280 56.428 56.100 0.079 0.000 0.991 210 R CB -0.220 30.128 30.300 0.080 0.000 0.883 210 R HN 0.379 nan 8.270 nan 0.000 0.457 211 F N 0.382 120.380 119.950 0.081 0.000 2.362 211 F HA 0.248 4.774 4.527 -0.001 0.000 0.311 211 F C -0.059 175.861 175.800 0.200 0.000 1.161 211 F CA -1.813 56.281 58.000 0.158 0.000 1.085 211 F CB 0.359 39.437 39.000 0.130 0.000 1.311 211 F HN -0.261 nan 8.300 nan 0.000 0.524 212 F N 3.951 122.917 119.950 -1.640 0.000 2.452 212 F HA 0.189 4.716 4.527 -0.001 0.000 0.358 212 F C 0.795 175.930 175.800 -1.108 0.000 1.141 212 F CA 1.122 58.353 58.000 -1.280 0.000 1.004 212 F CB -1.440 36.969 39.000 -0.985 0.000 1.046 212 F HN 0.664 nan 8.300 nan 0.000 0.575 213 S N 1.386 116.843 115.700 -0.406 0.000 3.845 213 S HA -0.206 4.264 4.470 -0.001 0.000 0.641 213 S C 0.026 174.624 174.600 -0.002 0.000 1.900 213 S CA 0.198 58.303 58.200 -0.158 0.000 2.062 213 S CB -0.238 62.914 63.200 -0.080 0.000 0.327 213 S HN 0.908 nan 8.310 nan 0.000 1.788 214 R N 0.272 120.809 120.500 0.061 0.000 2.291 214 R HA 0.185 4.525 4.340 -0.001 0.000 0.181 214 R C -0.432 175.936 176.300 0.113 0.000 1.158 214 R CA 0.338 56.520 56.100 0.136 0.000 0.733 214 R CB -0.667 29.721 30.300 0.148 0.000 1.414 214 R HN 0.584 nan 8.270 nan 0.000 0.328 215 S N -0.242 115.510 115.700 0.086 0.000 2.502 215 S HA 0.118 4.587 4.470 -0.001 0.000 0.251 215 S C 1.253 175.861 174.600 0.014 0.000 1.254 215 S CA -0.132 58.091 58.200 0.038 0.000 0.989 215 S CB 0.743 63.946 63.200 0.005 0.000 1.015 215 S HN 0.527 nan 8.310 nan 0.000 0.529 216 S N 1.110 116.772 115.700 -0.064 0.000 2.453 216 S HA -0.008 4.461 4.470 -0.001 0.000 0.231 216 S C 0.545 174.852 174.600 -0.489 0.000 1.005 216 S CA 0.870 58.980 58.200 -0.151 0.000 0.949 216 S CB -0.244 62.892 63.200 -0.106 0.000 0.774 216 S HN 0.649 nan 8.310 nan 0.000 0.510 217 K N -0.329 119.802 120.400 -0.450 0.000 2.911 217 K HA 0.351 4.670 4.320 -0.001 0.000 0.239 217 K C -0.108 176.370 176.600 -0.202 0.000 1.371 217 K CA -0.117 55.765 56.287 -0.674 0.000 0.872 217 K CB 0.203 32.382 32.500 -0.535 0.000 1.322 217 K HN -0.077 nan 8.250 nan 0.000 0.527 218 S N 0.682 116.374 115.700 -0.013 0.000 2.612 218 S HA 0.046 4.515 4.470 -0.001 0.000 0.193 218 S C 0.118 174.831 174.600 0.188 0.000 0.898 218 S CA 0.539 58.801 58.200 0.103 0.000 0.872 218 S CB 0.142 63.427 63.200 0.142 0.000 0.843 218 S HN 0.629 nan 8.310 nan 0.000 0.611 219 D N 0.840 121.407 120.400 0.279 0.000 2.622 219 D HA 0.182 4.822 4.640 -0.001 0.000 0.262 219 D C -1.700 174.791 176.300 0.319 0.000 1.189 219 D CA -0.323 53.831 54.000 0.256 0.000 0.985 219 D CB -0.169 40.758 40.800 0.212 0.000 0.994 219 D HN 0.295 nan 8.370 nan 0.000 0.513 220 Y N 2.220 122.566 120.300 0.076 0.000 2.907 220 Y HA 0.108 4.657 4.550 -0.001 0.000 0.332 220 Y C 0.901 176.838 175.900 0.062 0.000 1.211 220 Y CA -1.241 56.895 58.100 0.062 0.000 1.387 220 Y CB 0.347 38.831 38.460 0.040 0.000 1.396 220 Y HN 0.233 nan 8.280 nan 0.000 0.519 221 D N -0.482 119.988 120.400 0.116 0.000 2.663 221 D HA -0.033 4.606 4.640 -0.001 0.000 0.243 221 D C 0.635 176.968 176.300 0.055 0.000 1.218 221 D CA 0.028 54.094 54.000 0.110 0.000 0.846 221 D CB 0.099 40.972 40.800 0.122 0.000 1.014 221 D HN 0.238 nan 8.370 nan 0.000 0.476 222 S N -0.312 115.407 115.700 0.031 0.000 2.542 222 S HA -0.029 4.440 4.470 -0.001 0.000 0.287 222 S C 0.289 174.908 174.600 0.032 0.000 1.315 222 S CA -0.392 57.818 58.200 0.017 0.000 1.037 222 S CB 0.654 63.872 63.200 0.029 0.000 0.822 222 S HN 0.178 nan 8.310 nan 0.000 0.513 223 V N 5.018 124.937 119.914 0.009 0.000 2.546 223 V HA 0.294 4.413 4.120 -0.001 0.000 0.284 223 V C 0.706 176.610 176.094 -0.317 0.000 1.050 223 V CA -0.139 62.037 62.300 -0.208 0.000 0.981 223 V CB 1.164 32.671 31.823 -0.527 0.000 0.990 223 V HN 0.849 nan 8.190 nan 0.000 0.474 224 I N 0.788 121.131 120.570 -0.378 0.000 4.338 224 I HA 0.474 4.643 4.170 -0.001 0.000 0.329 224 I C 0.422 176.248 176.117 -0.486 0.000 1.378 224 I CA 0.061 61.106 61.300 -0.423 0.000 1.170 224 I CB 0.235 38.161 38.000 -0.122 0.000 1.206 224 I HN 0.360 nan 8.210 nan 0.000 0.432 225 S N -0.186 115.211 115.700 -0.505 0.000 2.596 225 S HA 0.817 5.286 4.470 -0.001 0.000 0.270 225 S C -1.216 173.221 174.600 -0.272 0.000 1.155 225 S CA -0.487 57.524 58.200 -0.314 0.000 0.827 225 S CB 2.165 65.352 63.200 -0.021 0.000 1.130 225 S HN 0.436 nan 8.310 nan 0.000 0.467 226 C N 1.310 120.623 119.300 0.021 0.000 3.165 226 C HA 0.788 5.247 4.460 -0.001 0.000 0.345 226 C C -1.957 173.209 174.990 0.293 0.000 1.367 226 C CA -0.323 58.760 59.018 0.108 0.000 1.205 226 C CB 0.766 28.559 27.740 0.088 0.000 1.447 226 C HN 0.949 nan 8.230 nan 0.000 0.451 227 K N 0.184 120.702 120.400 0.196 0.000 1.791 227 K HA 0.765 5.085 4.320 -0.001 0.000 0.260 227 K C -1.931 174.824 176.600 0.260 0.000 0.699 227 K CA -0.401 56.089 56.287 0.339 0.000 0.474 227 K CB 0.290 32.950 32.500 0.267 0.000 2.095 227 K HN 0.917 nan 8.250 nan 0.000 0.693 228 L N 1.422 122.820 121.223 0.293 0.000 2.969 228 L HA 0.374 4.713 4.340 -0.001 0.000 0.250 228 L C -1.889 175.179 176.870 0.331 0.000 0.953 228 L CA -0.294 54.706 54.840 0.266 0.000 1.066 228 L CB 0.834 43.042 42.059 0.248 0.000 1.497 228 L HN 0.449 nan 8.230 nan 0.000 0.512 229 F N 4.848 124.948 119.950 0.250 0.000 2.405 229 F HA 0.514 5.041 4.527 -0.001 0.000 0.355 229 F C 0.610 176.656 175.800 0.411 0.000 1.121 229 F CA 0.155 58.345 58.000 0.316 0.000 1.112 229 F CB 0.205 39.409 39.000 0.340 0.000 1.126 229 F HN 0.720 nan 8.300 nan 0.000 0.481 230 H N 4.425 123.207 119.070 -0.480 0.000 2.672 230 H HA -0.205 4.350 4.556 -0.001 0.000 0.325 230 H C 0.853 176.090 175.328 -0.153 0.000 1.158 230 H CA 0.956 56.780 56.048 -0.374 0.000 1.134 230 H CB -1.249 28.229 29.762 -0.474 0.000 1.553 230 H HN 0.854 nan 8.280 nan 0.000 0.419 231 E N -2.168 117.992 120.200 -0.067 0.000 3.343 231 E HA -0.438 3.911 4.350 -0.001 0.000 0.281 231 E C 1.784 178.354 176.600 -0.051 0.000 0.914 231 E CA 1.427 57.806 56.400 -0.036 0.000 0.884 231 E CB -0.271 29.404 29.700 -0.041 0.000 1.445 231 E HN 0.786 nan 8.360 nan 0.000 0.468 232 R N -0.483 119.936 120.500 -0.136 0.000 2.493 232 R HA 0.060 4.399 4.340 -0.001 0.000 0.177 232 R C -0.236 175.908 176.300 -0.260 0.000 0.861 232 R CA 0.028 55.960 56.100 -0.281 0.000 1.083 232 R CB 0.505 30.457 30.300 -0.579 0.000 1.328 232 R HN 0.049 nan 8.270 nan 0.000 0.615 233 Y N 2.228 122.626 120.300 0.162 0.000 2.650 233 Y HA 0.122 4.672 4.550 -0.001 0.000 0.342 233 Y C 0.310 176.304 175.900 0.158 0.000 1.110 233 Y CA -0.191 58.020 58.100 0.184 0.000 1.438 233 Y CB 0.413 39.030 38.460 0.262 0.000 1.181 233 Y HN 0.113 nan 8.280 nan 0.000 0.526 234 L N 5.910 127.264 121.223 0.218 0.000 2.583 234 L HA 0.342 4.681 4.340 -0.001 0.000 0.239 234 L C -0.514 176.449 176.870 0.156 0.000 1.347 234 L CA -0.301 54.594 54.840 0.092 0.000 1.246 234 L CB -0.933 41.097 42.059 -0.049 0.000 1.496 234 L HN 0.441 nan 8.230 nan 0.000 0.413 235 I N 1.837 122.525 120.570 0.196 0.000 2.978 235 I HA -0.090 4.079 4.170 -0.001 0.000 0.293 235 I C 0.763 176.927 176.117 0.079 0.000 1.218 235 I CA 0.797 62.184 61.300 0.145 0.000 1.393 235 I CB -0.436 37.645 38.000 0.136 0.000 1.394 235 I HN 0.277 nan 8.210 nan 0.000 0.541 236 V N 4.707 124.660 119.914 0.066 0.000 3.815 236 V HA 0.828 4.948 4.120 -0.001 0.000 0.284 236 V C -0.363 175.706 176.094 -0.042 0.000 1.266 236 V CA -0.886 61.410 62.300 -0.006 0.000 0.923 236 V CB 1.562 33.392 31.823 0.011 0.000 1.267 236 V HN 0.584 nan 8.190 nan 0.000 0.461 237 L N 0.211 121.387 121.223 -0.078 0.000 2.731 237 L HA 0.713 5.052 4.340 -0.001 0.000 0.256 237 L C -0.570 176.253 176.870 -0.078 0.000 0.947 237 L CA 0.568 55.367 54.840 -0.069 0.000 0.914 237 L CB 1.468 43.487 42.059 -0.066 0.000 1.470 237 L HN 1.223 nan 8.230 nan 0.000 0.421 238 T N -0.341 114.200 114.554 -0.021 0.000 2.940 238 T HA 0.454 4.803 4.350 -0.001 0.000 0.288 238 T C 0.640 175.345 174.700 0.009 0.000 1.045 238 T CA -0.240 61.864 62.100 0.007 0.000 1.018 238 T CB 1.513 70.434 68.868 0.088 0.000 1.151 238 T HN 0.735 nan 8.240 nan 0.000 0.529 239 Q N 0.403 120.218 119.800 0.026 0.000 2.112 239 Q HA -0.103 4.236 4.340 -0.001 0.000 0.206 239 Q C 0.753 176.783 176.000 0.050 0.000 0.987 239 Q CA 1.388 57.197 55.803 0.009 0.000 0.858 239 Q CB -0.164 28.595 28.738 0.034 0.000 0.905 239 Q HN 0.569 nan 8.270 nan 0.000 0.420 240 N N 0.047 118.827 118.700 0.132 0.000 2.802 240 N HA 0.087 4.826 4.740 -0.001 0.000 0.288 240 N C -0.219 175.331 175.510 0.067 0.000 1.268 240 N CA 0.055 53.248 53.050 0.238 0.000 1.035 240 N CB 0.181 38.814 38.487 0.243 0.000 1.353 240 N HN 0.224 nan 8.380 nan 0.000 0.522 241 C N 0.839 120.189 119.300 0.083 0.000 4.080 241 C HA -0.200 4.259 4.460 -0.001 0.000 0.290 241 C C 0.756 175.673 174.990 -0.122 0.000 1.535 241 C CA 0.424 59.397 59.018 -0.074 0.000 2.079 241 C CB -2.595 25.026 27.740 -0.198 0.000 1.361 241 C HN 0.558 nan 8.230 nan 0.000 0.786 242 H N -0.187 118.875 119.070 -0.013 0.000 3.026 242 H HA 0.319 4.874 4.556 -0.001 0.000 0.289 242 H C 0.157 175.454 175.328 -0.052 0.000 1.022 242 H CA 0.482 56.511 56.048 -0.030 0.000 1.477 242 H CB 0.460 30.210 29.762 -0.020 0.000 1.510 242 H HN 0.491 nan 8.280 nan 0.000 0.535 243 L N 4.961 126.212 121.223 0.046 0.000 2.265 243 L HA 0.270 4.610 4.340 -0.001 0.000 0.288 243 L C -0.242 176.633 176.870 0.008 0.000 1.058 243 L CA -0.186 54.634 54.840 -0.035 0.000 0.809 243 L CB 0.347 42.276 42.059 -0.217 0.000 1.179 243 L HN 0.401 nan 8.230 nan 0.000 0.429 244 K N 5.758 126.148 120.400 -0.016 0.000 2.185 244 K HA 0.633 4.953 4.320 -0.001 0.000 0.240 244 K C -0.951 175.644 176.600 -0.008 0.000 0.983 244 K CA -0.747 55.493 56.287 -0.079 0.000 0.873 244 K CB 2.082 34.495 32.500 -0.146 0.000 1.118 244 K HN 0.585 nan 8.250 nan 0.000 0.441 245 I N 1.893 122.421 120.570 -0.069 0.000 2.796 245 I HA 0.163 4.332 4.170 -0.001 0.000 0.277 245 I C -0.929 175.233 176.117 0.076 0.000 1.331 245 I CA -0.682 60.664 61.300 0.077 0.000 0.983 245 I CB 0.353 38.422 38.000 0.114 0.000 1.410 245 I HN 0.496 nan 8.210 nan 0.000 0.561 246 W N 3.030 124.324 121.300 -0.010 0.000 1.918 246 W HA 0.105 4.764 4.660 -0.001 0.000 0.355 246 W C 0.743 177.297 176.519 0.059 0.000 1.368 246 W CA 0.723 58.032 57.345 -0.059 0.000 1.412 246 W CB 0.204 29.512 29.460 -0.252 0.000 1.309 246 W HN 0.280 nan 8.180 nan 0.000 0.667 247 D N 0.632 121.203 120.400 0.285 0.000 2.542 247 D HA 0.173 4.812 4.640 -0.001 0.000 0.252 247 D C -0.600 175.781 176.300 0.134 0.000 1.222 247 D CA -0.387 53.739 54.000 0.209 0.000 0.895 247 D CB 1.073 42.022 40.800 0.249 0.000 1.207 247 D HN 0.339 nan 8.370 nan 0.000 0.558 248 L N 3.236 124.474 121.223 0.024 0.000 2.855 248 L HA 0.167 4.506 4.340 -0.001 0.000 0.245 248 L C 0.654 177.630 176.870 0.175 0.000 1.276 248 L CA 0.353 55.233 54.840 0.066 0.000 1.118 248 L CB -0.090 41.991 42.059 0.038 0.000 1.444 248 L HN 0.318 nan 8.230 nan 0.000 0.440 249 T N -3.199 111.483 114.554 0.214 0.000 3.684 249 T HA 0.143 4.492 4.350 -0.001 0.000 0.317 249 T C 0.876 175.707 174.700 0.217 0.000 0.922 249 T CA -0.044 62.164 62.100 0.179 0.000 0.999 249 T CB 0.609 69.521 68.868 0.074 0.000 1.204 249 T HN 0.232 nan 8.240 nan 0.000 0.534 250 S N -0.057 115.862 115.700 0.365 0.000 2.786 250 S HA 0.248 4.717 4.470 -0.001 0.000 0.269 250 S C 0.088 175.009 174.600 0.536 0.000 1.040 250 S CA -0.415 57.980 58.200 0.325 0.000 1.099 250 S CB 0.380 63.725 63.200 0.241 0.000 0.936 250 S HN 0.231 nan 8.310 nan 0.000 0.450 251 F N 2.283 122.400 119.950 0.278 0.000 3.057 251 F HA -0.173 4.354 4.527 -0.001 0.000 0.287 251 F C -0.125 175.950 175.800 0.459 0.000 0.834 251 F CA 0.862 59.167 58.000 0.508 0.000 1.147 251 F CB -2.250 36.998 39.000 0.414 0.000 1.245 251 F HN 0.132 nan 8.300 nan 0.000 0.509 252 T N 0.638 115.462 114.554 0.450 0.000 2.881 252 T HA 0.550 4.900 4.350 -0.001 0.000 0.290 252 T C -0.336 174.391 174.700 0.045 0.000 1.000 252 T CA -0.743 61.510 62.100 0.255 0.000 0.978 252 T CB 2.131 71.101 68.868 0.170 0.000 0.997 252 T HN 0.134 nan 8.240 nan 0.000 0.443 253 L N 5.273 126.264 121.223 -0.388 0.000 2.617 253 L HA 0.162 4.502 4.340 -0.001 0.000 0.282 253 L C 1.222 177.833 176.870 -0.433 0.000 1.174 253 L CA 0.107 54.410 54.840 -0.895 0.000 1.016 253 L CB -0.940 40.196 42.059 -1.540 0.000 1.337 253 L HN 0.611 nan 8.230 nan 0.000 0.460 254 I N 2.657 123.101 120.570 -0.210 0.000 2.315 254 I HA -0.229 3.941 4.170 -0.001 0.000 0.251 254 I C 1.213 177.230 176.117 -0.166 0.000 1.125 254 I CA 1.253 62.493 61.300 -0.099 0.000 1.392 254 I CB -1.035 36.983 38.000 0.030 0.000 1.065 254 I HN 0.741 nan 8.210 nan 0.000 0.424 255 Q N -1.060 118.583 119.800 -0.262 0.000 2.983 255 Q HA 0.373 4.712 4.340 -0.001 0.000 0.366 255 Q C -0.888 174.870 176.000 -0.403 0.000 0.772 255 Q CA -0.683 54.917 55.803 -0.338 0.000 0.857 255 Q CB 1.715 30.229 28.738 -0.374 0.000 1.286 255 Q HN -0.030 nan 8.270 nan 0.000 0.489 256 D N -0.244 119.874 120.400 -0.471 0.000 4.100 256 D HA 0.105 4.744 4.640 -0.001 0.000 0.215 256 D C -1.636 174.523 176.300 -0.236 0.000 1.464 256 D CA 0.016 53.825 54.000 -0.319 0.000 1.161 256 D CB -0.513 40.099 40.800 -0.312 0.000 1.250 256 D HN 0.367 nan 8.370 nan 0.000 0.864 257 Y N 0.611 120.880 120.300 -0.052 0.000 2.641 257 Y HA 0.239 4.788 4.550 -0.001 0.000 0.351 257 Y C 1.420 177.355 175.900 0.058 0.000 1.269 257 Y CA 0.432 58.530 58.100 -0.003 0.000 1.485 257 Y CB 0.454 38.897 38.460 -0.029 0.000 1.364 257 Y HN 0.063 nan 8.280 nan 0.000 0.651 258 D N 1.710 122.242 120.400 0.219 0.000 2.460 258 D HA 0.163 4.803 4.640 -0.001 0.000 0.268 258 D C 0.667 176.930 176.300 -0.062 0.000 1.153 258 D CA -0.256 53.804 54.000 0.100 0.000 0.929 258 D CB 0.172 41.044 40.800 0.120 0.000 1.015 258 D HN 0.395 nan 8.370 nan 0.000 0.502 259 M N 1.027 120.564 119.600 -0.104 0.000 2.128 259 M HA -0.148 4.332 4.480 -0.001 0.000 0.253 259 M C 1.273 177.418 176.300 -0.257 0.000 1.079 259 M CA 1.120 56.325 55.300 -0.159 0.000 1.082 259 M CB -1.312 31.186 32.600 -0.169 0.000 1.335 259 M HN 0.351 nan 8.290 nan 0.000 0.401 260 V N 0.194 119.895 119.914 -0.356 0.000 2.054 260 V HA 0.309 4.429 4.120 -0.001 0.000 0.243 260 V C 0.432 176.365 176.094 -0.269 0.000 1.480 260 V CA 0.398 62.449 62.300 -0.416 0.000 1.440 260 V CB -1.383 30.045 31.823 -0.660 0.000 1.489 260 V HN 0.554 nan 8.190 nan 0.000 0.502 261 S N 1.172 116.741 115.700 -0.220 0.000 4.487 261 S HA 0.027 4.496 4.470 -0.001 0.000 0.061 261 S C 0.333 174.836 174.600 -0.161 0.000 0.856 261 S CA -0.087 58.024 58.200 -0.149 0.000 0.965 261 S CB -1.349 61.795 63.200 -0.093 0.000 0.573 261 S HN 0.605 nan 8.310 nan 0.000 0.780 262 Q N 2.093 121.733 119.800 -0.268 0.000 2.188 262 Q HA 0.458 4.797 4.340 -0.001 0.000 0.212 262 Q C -0.203 175.577 176.000 -0.368 0.000 0.846 262 Q CA 0.469 56.011 55.803 -0.436 0.000 0.989 262 Q CB 0.939 29.152 28.738 -0.875 0.000 1.114 262 Q HN 0.782 nan 8.270 nan 0.000 0.488 263 S N -1.153 114.435 115.700 -0.187 0.000 2.709 263 S HA 0.006 4.476 4.470 -0.001 0.000 0.305 263 S C -1.294 173.263 174.600 -0.071 0.000 0.974 263 S CA -1.075 57.077 58.200 -0.080 0.000 0.837 263 S CB 0.534 63.704 63.200 -0.051 0.000 1.032 263 S HN 0.143 nan 8.310 nan 0.000 0.461 264 D N 2.247 122.628 120.400 -0.032 0.000 7.621 264 D HA -0.123 4.517 4.640 -0.001 0.000 0.167 264 D C 0.309 176.578 176.300 -0.051 0.000 1.247 264 D CA 1.403 55.386 54.000 -0.029 0.000 0.865 264 D CB -0.327 40.467 40.800 -0.009 0.000 1.601 264 D HN 0.730 nan 8.370 nan 0.000 0.904 265 S N 2.433 118.093 115.700 -0.066 0.000 2.858 265 S HA -0.093 4.376 4.470 -0.001 0.000 0.328 265 S C 0.127 174.696 174.600 -0.052 0.000 1.149 265 S CA -0.660 57.486 58.200 -0.090 0.000 1.421 265 S CB -0.039 63.109 63.200 -0.087 0.000 1.461 265 S HN 0.123 nan 8.310 nan 0.000 0.587 266 D N 6.514 126.886 120.400 -0.046 0.000 2.503 266 D HA -0.002 4.638 4.640 -0.001 0.000 0.280 266 D C -1.127 175.191 176.300 0.029 0.000 1.405 266 D CA -0.589 53.409 54.000 -0.003 0.000 1.049 266 D CB 0.677 41.479 40.800 0.004 0.000 1.127 266 D HN 0.442 nan 8.370 nan 0.000 0.551 267 P HA -0.228 nan 4.420 nan 0.000 0.200 267 P C 1.638 178.994 177.300 0.093 0.000 1.007 267 P CA 1.537 64.670 63.100 0.056 0.000 0.916 267 P CB -0.034 31.690 31.700 0.039 0.000 0.696 268 S N -1.198 114.551 115.700 0.081 0.000 2.456 268 S HA -0.330 4.139 4.470 -0.001 0.000 0.359 268 S C 0.775 175.481 174.600 0.177 0.000 1.227 268 S CA 2.393 60.653 58.200 0.099 0.000 1.598 268 S CB -1.745 61.507 63.200 0.087 0.000 1.444 268 S HN 0.570 nan 8.310 nan 0.000 0.483 269 H N 0.335 119.437 119.070 0.054 0.000 3.224 269 H HA 0.532 5.088 4.556 -0.001 0.000 0.331 269 H C -1.466 173.928 175.328 0.109 0.000 1.002 269 H CA -1.040 55.040 56.048 0.054 0.000 1.473 269 H CB 0.741 30.515 29.762 0.019 0.000 1.830 269 H HN 0.490 nan 8.280 nan 0.000 0.485 270 F N 6.008 125.860 119.950 -0.163 0.000 2.308 270 F HA 0.403 4.930 4.527 -0.001 0.000 0.370 270 F C 0.079 175.673 175.800 -0.344 0.000 1.100 270 F CA -1.070 56.796 58.000 -0.223 0.000 1.108 270 F CB 0.440 39.372 39.000 -0.113 0.000 1.293 270 F HN 0.492 nan 8.300 nan 0.000 0.478 271 R N 6.740 126.875 120.500 -0.608 0.000 2.543 271 R HA -0.007 4.332 4.340 -0.001 0.000 0.348 271 R C -0.294 175.478 176.300 -0.880 0.000 0.981 271 R CA -0.149 55.559 56.100 -0.654 0.000 1.019 271 R CB 0.153 30.260 30.300 -0.321 0.000 0.944 271 R HN 0.757 nan 8.270 nan 0.000 0.425 272 K N 2.506 122.324 120.400 -0.969 0.000 2.368 272 K HA 0.104 4.424 4.320 -0.001 0.000 0.282 272 K C -0.305 176.080 176.600 -0.360 0.000 1.035 272 K CA -0.744 55.040 56.287 -0.838 0.000 0.973 272 K CB 1.156 33.342 32.500 -0.523 0.000 0.957 272 K HN 0.146 nan 8.250 nan 0.000 0.474 273 V N 3.462 123.227 119.914 -0.249 0.000 2.613 273 V HA -0.127 3.992 4.120 -0.001 0.000 0.289 273 V C 1.328 177.382 176.094 -0.066 0.000 0.985 273 V CA 0.583 62.789 62.300 -0.158 0.000 1.181 273 V CB -0.578 31.144 31.823 -0.169 0.000 0.883 273 V HN 0.941 nan 8.190 nan 0.000 0.465 274 E N 4.360 124.544 120.200 -0.027 0.000 2.057 274 E HA 0.295 4.645 4.350 -0.001 0.000 0.191 274 E C 1.051 177.673 176.600 0.037 0.000 0.959 274 E CA 0.921 57.324 56.400 0.006 0.000 0.828 274 E CB 0.097 29.801 29.700 0.007 0.000 0.800 274 E HN 0.840 nan 8.360 nan 0.000 0.460 275 A N 1.274 124.129 122.820 0.059 0.000 2.260 275 A HA 0.483 4.803 4.320 -0.001 0.000 0.308 275 A C -0.167 177.432 177.584 0.025 0.000 1.254 275 A CA -0.636 51.428 52.037 0.045 0.000 0.874 275 A CB 0.477 19.518 19.000 0.068 0.000 1.153 275 A HN 0.089 nan 8.150 nan 0.000 0.527 276 V N 1.827 121.660 119.914 -0.134 0.000 3.239 276 V HA 0.360 4.480 4.120 -0.001 0.000 0.297 276 V C 1.167 177.125 176.094 -0.227 0.000 1.206 276 V CA 1.076 63.185 62.300 -0.318 0.000 1.325 276 V CB 0.101 31.409 31.823 -0.859 0.000 0.981 276 V HN 1.476 nan 8.190 nan 0.000 0.513 277 G N 1.703 110.406 108.800 -0.162 0.000 2.451 277 G HA2 0.442 4.401 3.960 -0.001 0.000 0.292 277 G HA3 0.442 4.401 3.960 -0.001 0.000 0.292 277 G C -1.267 173.484 174.900 -0.248 0.000 1.427 277 G CA -0.771 44.216 45.100 -0.188 0.000 0.792 277 G HN 0.491 nan 8.290 nan 0.000 0.498 278 E N 0.889 120.939 120.200 -0.251 0.000 1.791 278 E HA 0.198 4.547 4.350 -0.001 0.000 0.263 278 E C -0.480 175.966 176.600 -0.256 0.000 1.213 278 E CA -0.118 56.198 56.400 -0.140 0.000 0.991 278 E CB 0.446 30.112 29.700 -0.056 0.000 1.068 278 E HN 0.470 nan 8.360 nan 0.000 0.417 279 Y N 1.604 121.922 120.300 0.030 0.000 2.458 279 Y HA 0.116 4.665 4.550 -0.001 0.000 0.256 279 Y C 0.053 175.985 175.900 0.053 0.000 1.159 279 Y CA -0.353 57.776 58.100 0.048 0.000 1.261 279 Y CB 0.445 38.922 38.460 0.028 0.000 1.119 279 Y HN 0.303 nan 8.280 nan 0.000 0.524 280 L N -2.496 118.816 121.223 0.149 0.000 2.731 280 L HA 0.699 5.039 4.340 -0.001 0.000 0.256 280 L C -0.589 176.326 176.870 0.075 0.000 0.947 280 L CA -1.718 53.181 54.840 0.098 0.000 0.914 280 L CB 1.187 43.309 42.059 0.106 0.000 1.470 280 L HN -0.217 nan 8.230 nan 0.000 0.421 281 S N 1.546 117.274 115.700 0.045 0.000 2.627 281 S HA 0.982 5.452 4.470 -0.001 0.000 0.283 281 S C -0.894 173.758 174.600 0.086 0.000 1.127 281 S CA -0.593 57.650 58.200 0.070 0.000 0.863 281 S CB 1.981 65.198 63.200 0.028 0.000 1.121 281 S HN 1.679 nan 8.310 nan 0.000 0.479 282 L N 0.229 121.535 121.223 0.138 0.000 2.401 282 L HA 0.765 5.104 4.340 -0.001 0.000 0.266 282 L C -0.866 176.145 176.870 0.235 0.000 0.991 282 L CA -0.982 53.957 54.840 0.165 0.000 0.818 282 L CB 1.528 43.693 42.059 0.176 0.000 1.321 282 L HN 0.830 nan 8.230 nan 0.000 0.413 283 Y N 2.297 122.641 120.300 0.075 0.000 3.252 283 Y HA 0.425 4.974 4.550 -0.001 0.000 0.369 283 Y C 1.359 177.340 175.900 0.135 0.000 1.223 283 Y CA -0.009 58.137 58.100 0.077 0.000 1.036 283 Y CB 0.095 38.575 38.460 0.032 0.000 1.152 283 Y HN 0.771 nan 8.280 nan 0.000 0.885 284 N N 0.988 119.560 118.700 -0.213 0.000 2.052 284 N HA -0.185 4.554 4.740 -0.001 0.000 0.213 284 N C 1.229 176.816 175.510 0.129 0.000 1.207 284 N CA 1.348 54.326 53.050 -0.119 0.000 0.952 284 N CB -0.839 37.621 38.487 -0.045 0.000 0.987 284 N HN 0.693 nan 8.380 nan 0.000 0.392 285 N N 0.115 118.884 118.700 0.115 0.000 2.244 285 N HA -0.082 4.657 4.740 -0.001 0.000 0.183 285 N C 0.341 175.802 175.510 -0.081 0.000 1.016 285 N CA 0.746 53.786 53.050 -0.016 0.000 0.866 285 N CB -1.134 37.378 38.487 0.042 0.000 0.980 285 N HN 0.243 nan 8.380 nan 0.000 0.430 286 T N 1.348 115.951 114.554 0.082 0.000 2.813 286 T HA 0.413 4.762 4.350 -0.001 0.000 0.297 286 T C 0.152 174.911 174.700 0.098 0.000 1.036 286 T CA -0.410 61.767 62.100 0.128 0.000 1.044 286 T CB 1.184 70.206 68.868 0.257 0.000 0.993 286 T HN 0.207 nan 8.240 nan 0.000 0.535 287 L N 1.283 122.571 121.223 0.108 0.000 2.359 287 L HA 0.840 5.180 4.340 -0.001 0.000 0.256 287 L C -1.607 175.309 176.870 0.077 0.000 1.026 287 L CA -0.941 53.962 54.840 0.105 0.000 0.828 287 L CB 2.161 44.309 42.059 0.147 0.000 1.406 287 L HN 0.565 nan 8.230 nan 0.000 0.413 288 V N -1.300 118.639 119.914 0.042 0.000 2.932 288 V HA 0.891 5.010 4.120 -0.001 0.000 0.307 288 V C -0.894 175.218 176.094 0.030 0.000 1.147 288 V CA -0.277 62.007 62.300 -0.027 0.000 0.951 288 V CB 1.506 33.211 31.823 -0.198 0.000 1.031 288 V HN 0.850 nan 8.190 nan 0.000 0.426 289 T N 4.901 119.523 114.554 0.113 0.000 2.916 289 T HA 0.622 4.971 4.350 -0.001 0.000 0.298 289 T C -0.922 174.012 174.700 0.391 0.000 1.031 289 T CA -0.384 61.834 62.100 0.197 0.000 0.993 289 T CB 1.787 70.743 68.868 0.147 0.000 1.045 289 T HN 0.976 nan 8.240 nan 0.000 0.454 290 L N 4.179 125.678 121.223 0.460 0.000 2.305 290 L HA 0.667 5.007 4.340 -0.001 0.000 0.281 290 L C -1.324 175.672 176.870 0.211 0.000 1.085 290 L CA -0.149 54.989 54.840 0.497 0.000 0.813 290 L CB 0.082 42.508 42.059 0.611 0.000 1.157 290 L HN 0.578 nan 8.230 nan 0.000 0.436 291 L N 5.881 127.168 121.223 0.107 0.000 2.410 291 L HA 0.484 4.823 4.340 -0.001 0.000 0.270 291 L C -2.278 174.605 176.870 0.022 0.000 0.983 291 L CA -1.922 52.929 54.840 0.018 0.000 0.822 291 L CB 1.850 43.893 42.059 -0.027 0.000 1.285 291 L HN 0.436 nan 8.230 nan 0.000 0.409 292 P HA 0.110 nan 4.420 nan 0.000 0.262 292 P C -0.921 176.422 177.300 0.072 0.000 1.455 292 P CA 0.276 63.441 63.100 0.109 0.000 1.217 292 P CB -0.054 31.797 31.700 0.250 0.000 1.625 293 L N 2.345 123.579 121.223 0.018 0.000 2.489 293 L HA 0.214 4.553 4.340 -0.001 0.000 0.257 293 L C 0.776 177.637 176.870 -0.014 0.000 1.215 293 L CA 0.018 54.857 54.840 -0.002 0.000 0.915 293 L CB 0.433 42.479 42.059 -0.023 0.000 1.146 293 L HN 0.192 nan 8.230 nan 0.000 0.494 294 E N 1.835 122.030 120.200 -0.008 0.000 2.660 294 E HA -0.310 4.040 4.350 -0.001 0.000 0.260 294 E C -0.295 176.281 176.600 -0.040 0.000 1.122 294 E CA 0.633 57.022 56.400 -0.018 0.000 0.755 294 E CB -0.554 29.133 29.700 -0.022 0.000 1.345 294 E HN 0.843 nan 8.360 nan 0.000 0.421 295 N N -1.285 117.401 118.700 -0.023 0.000 2.482 295 N HA -0.184 4.555 4.740 -0.001 0.000 0.288 295 N C -0.049 175.387 175.510 -0.124 0.000 1.319 295 N CA 1.700 54.729 53.050 -0.035 0.000 0.671 295 N CB -0.939 37.529 38.487 -0.033 0.000 0.911 295 N HN 0.542 nan 8.380 nan 0.000 0.531 296 G N 1.262 109.995 108.800 -0.111 0.000 4.990 296 G HA2 0.214 4.173 3.960 -0.001 0.000 0.221 296 G HA3 0.214 4.173 3.960 -0.001 0.000 0.221 296 G C -0.771 174.063 174.900 -0.109 0.000 0.986 296 G CA -0.445 44.569 45.100 -0.145 0.000 1.002 296 G HN 0.298 nan 8.290 nan 0.000 0.531 297 L N 1.316 122.459 121.223 -0.133 0.000 2.366 297 L HA 0.492 4.832 4.340 -0.001 0.000 0.266 297 L C -0.887 175.996 176.870 0.021 0.000 1.010 297 L CA -0.597 54.216 54.840 -0.044 0.000 0.879 297 L CB 0.980 43.031 42.059 -0.013 0.000 1.228 297 L HN 0.052 nan 8.230 nan 0.000 0.439 298 F N 1.970 121.980 119.950 0.100 0.000 2.387 298 F HA 0.273 4.800 4.527 -0.001 0.000 0.332 298 F C 0.998 176.816 175.800 0.030 0.000 1.174 298 F CA -0.716 57.323 58.000 0.064 0.000 1.257 298 F CB 0.637 39.658 39.000 0.035 0.000 1.569 298 F HN 0.453 nan 8.300 nan 0.000 0.554 299 Q N 3.920 123.872 119.800 0.255 0.000 2.255 299 Q HA 0.179 4.518 4.340 -0.001 0.000 0.280 299 Q C -0.085 176.029 176.000 0.190 0.000 1.068 299 Q CA 0.164 56.098 55.803 0.218 0.000 0.911 299 Q CB 0.527 29.377 28.738 0.187 0.000 1.157 299 Q HN 0.620 nan 8.270 nan 0.000 0.380 300 M N 2.498 122.181 119.600 0.138 0.000 2.386 300 M HA 0.443 4.923 4.480 -0.001 0.000 0.245 300 M C -0.229 176.171 176.300 0.167 0.000 0.982 300 M CA -0.797 54.539 55.300 0.061 0.000 0.860 300 M CB 0.822 33.272 32.600 -0.250 0.000 1.371 300 M HN 0.496 nan 8.290 nan 0.000 0.425 301 G N 2.294 111.157 108.800 0.106 0.000 2.696 301 G HA2 0.381 4.341 3.960 -0.001 0.000 0.329 301 G HA3 0.381 4.341 3.960 -0.001 0.000 0.329 301 G C 0.464 175.247 174.900 -0.194 0.000 0.973 301 G CA -0.337 44.657 45.100 -0.177 0.000 1.257 301 G HN 0.777 nan 8.290 nan 0.000 0.456 302 T N 1.126 115.668 114.554 -0.021 0.000 2.898 302 T HA 0.070 4.420 4.350 -0.001 0.000 0.331 302 T C 0.688 175.306 174.700 -0.136 0.000 1.085 302 T CA -0.048 62.036 62.100 -0.027 0.000 1.129 302 T CB 0.481 69.332 68.868 -0.029 0.000 1.054 302 T HN 0.250 nan 8.240 nan 0.000 0.540 303 L N 1.814 122.953 121.223 -0.141 0.000 2.439 303 L HA 0.686 5.025 4.340 -0.001 0.000 0.259 303 L C -0.012 176.755 176.870 -0.172 0.000 1.129 303 L CA -1.118 53.608 54.840 -0.190 0.000 0.803 303 L CB 1.002 42.825 42.059 -0.393 0.000 1.161 303 L HN 0.659 nan 8.230 nan 0.000 0.462 304 L N 1.848 122.988 121.223 -0.137 0.000 2.588 304 L HA 0.193 4.533 4.340 -0.001 0.000 0.256 304 L C 0.008 176.837 176.870 -0.068 0.000 1.083 304 L CA -0.198 54.590 54.840 -0.086 0.000 0.909 304 L CB 1.165 43.178 42.059 -0.077 0.000 1.121 304 L HN 0.406 nan 8.230 nan 0.000 0.470 305 V N -0.661 119.216 119.914 -0.060 0.000 2.581 305 V HA 0.299 4.419 4.120 -0.001 0.000 0.240 305 V C 1.029 177.099 176.094 -0.041 0.000 1.054 305 V CA 0.569 62.818 62.300 -0.085 0.000 1.076 305 V CB -0.236 31.481 31.823 -0.177 0.000 0.748 305 V HN 0.651 nan 8.190 nan 0.000 0.474 306 D N 1.102 121.502 120.400 -0.000 0.000 2.371 306 D HA 0.467 5.106 4.640 -0.001 0.000 0.242 306 D C 0.096 176.402 176.300 0.010 0.000 1.218 306 D CA 1.627 55.637 54.000 0.017 0.000 0.945 306 D CB 1.550 42.368 40.800 0.030 0.000 1.137 306 D HN 0.871 nan 8.370 nan 0.000 0.464 307 S N -1.258 114.454 115.700 0.019 0.000 2.547 307 S HA -0.095 4.374 4.470 -0.001 0.000 0.282 307 S C 0.854 175.469 174.600 0.025 0.000 0.813 307 S CA 0.117 58.328 58.200 0.017 0.000 1.250 307 S CB -0.753 62.452 63.200 0.009 0.000 1.554 307 S HN 0.427 nan 8.310 nan 0.000 0.438 308 S N 1.069 116.782 115.700 0.023 0.000 2.359 308 S HA 0.177 4.647 4.470 -0.001 0.000 0.224 308 S C 1.457 176.076 174.600 0.031 0.000 1.035 308 S CA 0.945 59.162 58.200 0.027 0.000 1.018 308 S CB -1.674 61.539 63.200 0.022 0.000 0.876 308 S HN 2.133 nan 8.310 nan 0.000 0.448 309 G N 1.162 109.977 108.800 0.025 0.000 2.272 309 G HA2 0.356 4.316 3.960 -0.001 0.000 0.247 309 G HA3 0.356 4.316 3.960 -0.001 0.000 0.247 309 G C 0.481 175.398 174.900 0.030 0.000 1.272 309 G CA -0.332 44.783 45.100 0.026 0.000 0.921 309 G HN 0.518 nan 8.290 nan 0.000 0.495 310 I N 1.386 121.981 120.570 0.042 0.000 3.428 310 I HA 0.205 4.375 4.170 -0.001 0.000 0.286 310 I C 0.750 176.862 176.117 -0.008 0.000 1.287 310 I CA 0.558 61.893 61.300 0.058 0.000 1.396 310 I CB -0.328 37.745 38.000 0.121 0.000 1.062 310 I HN 0.219 nan 8.210 nan 0.000 0.471 311 L N -0.263 120.951 121.223 -0.015 0.000 2.518 311 L HA 0.509 4.848 4.340 -0.001 0.000 0.257 311 L C -1.331 175.555 176.870 0.027 0.000 0.980 311 L CA -0.356 54.450 54.840 -0.056 0.000 0.837 311 L CB 2.742 44.773 42.059 -0.046 0.000 1.410 311 L HN -0.026 nan 8.230 nan 0.000 0.410 312 T N -0.761 113.823 114.554 0.049 0.000 4.128 312 T HA 0.173 4.523 4.350 -0.001 0.000 0.376 312 T C -1.482 173.279 174.700 0.102 0.000 1.109 312 T CA -0.504 61.675 62.100 0.131 0.000 1.087 312 T CB 0.558 69.459 68.868 0.055 0.000 1.190 312 T HN 0.394 nan 8.240 nan 0.000 0.473 313 Y N 3.597 123.863 120.300 -0.057 0.000 2.504 313 Y HA 0.488 5.038 4.550 -0.001 0.000 0.339 313 Y C 0.633 176.350 175.900 -0.305 0.000 0.974 313 Y CA -0.831 57.065 58.100 -0.341 0.000 1.232 313 Y CB 0.765 38.722 38.460 -0.837 0.000 1.108 313 Y HN 0.823 nan 8.280 nan 0.000 0.509 314 T N 5.072 119.357 114.554 -0.448 0.000 2.992 314 T HA 0.162 4.511 4.350 -0.001 0.000 0.299 314 T C -0.172 174.236 174.700 -0.487 0.000 1.027 314 T CA -0.595 61.281 62.100 -0.374 0.000 1.001 314 T CB -0.941 67.792 68.868 -0.225 0.000 1.005 314 T HN 0.501 nan 8.240 nan 0.000 0.599 315 F N 2.722 122.291 119.950 -0.635 0.000 2.628 315 F HA 0.191 4.717 4.527 -0.001 0.000 0.362 315 F C 0.815 176.485 175.800 -0.216 0.000 1.148 315 F CA 0.010 57.737 58.000 -0.455 0.000 1.352 315 F CB 0.642 39.499 39.000 -0.238 0.000 1.081 315 F HN 0.762 nan 8.300 nan 0.000 0.605 316 Q N 2.113 121.423 119.800 -0.816 0.000 2.006 316 Q HA 0.158 4.498 4.340 -0.001 0.000 0.158 316 Q C -0.651 174.843 176.000 -0.843 0.000 0.530 316 Q CA -0.263 55.069 55.803 -0.785 0.000 0.784 316 Q CB 0.350 28.958 28.738 -0.217 0.000 1.031 316 Q HN 0.763 nan 8.270 nan 0.000 0.368 317 N N -0.192 118.430 118.700 -0.130 0.000 2.545 317 N HA 0.272 5.012 4.740 -0.001 0.000 0.289 317 N C -1.518 174.183 175.510 0.318 0.000 1.279 317 N CA -0.481 52.633 53.050 0.107 0.000 0.824 317 N CB 1.557 40.154 38.487 0.184 0.000 1.395 317 N HN 0.116 nan 8.380 nan 0.000 0.526 318 N N 0.642 119.506 118.700 0.274 0.000 2.687 318 N HA 0.356 5.096 4.740 -0.001 0.000 0.275 318 N C -1.326 174.274 175.510 0.151 0.000 1.789 318 N CA -0.279 52.907 53.050 0.227 0.000 0.806 318 N CB -0.115 38.509 38.487 0.229 0.000 1.256 318 N HN 0.523 nan 8.380 nan 0.000 0.500 319 I N 1.764 122.389 120.570 0.092 0.000 2.845 319 I HA 0.076 4.245 4.170 -0.001 0.000 0.296 319 I C -1.720 174.449 176.117 0.087 0.000 1.216 319 I CA -0.777 60.528 61.300 0.007 0.000 1.438 319 I CB 0.385 38.204 38.000 -0.301 0.000 1.342 319 I HN 0.268 nan 8.210 nan 0.000 0.577 320 P HA 0.229 nan 4.420 nan 0.000 0.287 320 P C -0.939 176.421 177.300 0.100 0.000 1.279 320 P CA -0.501 62.644 63.100 0.076 0.000 0.867 320 P CB 1.590 33.332 31.700 0.070 0.000 1.127 321 T N -1.568 112.935 114.554 -0.086 0.000 2.902 321 T HA 0.295 4.644 4.350 -0.001 0.000 0.283 321 T C 0.933 175.319 174.700 -0.523 0.000 1.009 321 T CA -0.804 61.084 62.100 -0.354 0.000 1.051 321 T CB 0.084 68.736 68.868 -0.360 0.000 0.999 321 T HN 0.402 nan 8.240 nan 0.000 0.474 322 N N 2.903 121.103 118.700 -0.834 0.000 2.410 322 N HA 0.027 4.766 4.740 -0.001 0.000 0.231 322 N C 0.033 175.219 175.510 -0.539 0.000 1.172 322 N CA -0.304 52.391 53.050 -0.592 0.000 0.849 322 N CB -0.177 37.934 38.487 -0.626 0.000 1.116 322 N HN 0.630 nan 8.380 nan 0.000 0.485 323 L N 2.108 122.976 121.223 -0.593 0.000 2.451 323 L HA -0.008 4.332 4.340 -0.001 0.000 0.272 323 L C 1.287 177.985 176.870 -0.287 0.000 1.258 323 L CA -0.362 54.124 54.840 -0.591 0.000 1.132 323 L CB -0.375 41.231 42.059 -0.754 0.000 1.361 323 L HN 0.259 nan 8.230 nan 0.000 0.438 324 S N 2.447 118.017 115.700 -0.216 0.000 2.106 324 S HA 0.103 4.572 4.470 -0.001 0.000 0.185 324 S C 1.336 175.948 174.600 0.019 0.000 1.399 324 S CA 0.016 58.162 58.200 -0.090 0.000 1.494 324 S CB -0.180 62.971 63.200 -0.081 0.000 0.576 324 S HN 0.704 nan 8.310 nan 0.000 0.391 325 A N 0.764 123.612 122.820 0.047 0.000 2.189 325 A HA -0.055 4.264 4.320 -0.001 0.000 0.272 325 A C 1.357 178.972 177.584 0.053 0.000 1.349 325 A CA 1.854 53.937 52.037 0.077 0.000 0.778 325 A CB -2.286 16.809 19.000 0.160 0.000 1.088 325 A HN 2.389 nan 8.150 nan 0.000 0.351 326 S N -3.153 112.557 115.700 0.016 0.000 2.769 326 S HA 0.006 4.476 4.470 -0.001 0.000 0.264 326 S C 1.177 175.778 174.600 0.002 0.000 1.288 326 S CA 1.368 59.566 58.200 -0.002 0.000 1.378 326 S CB -2.352 60.836 63.200 -0.020 0.000 1.702 326 S HN 2.840 nan 8.310 nan 0.000 0.656 327 A N -0.302 122.543 122.820 0.043 0.000 2.969 327 A HA -0.101 4.218 4.320 -0.001 0.000 0.252 327 A C 0.348 177.965 177.584 0.054 0.000 1.377 327 A CA 1.105 53.173 52.037 0.052 0.000 0.859 327 A CB -2.753 16.231 19.000 -0.027 0.000 1.077 327 A HN 2.018 nan 8.150 nan 0.000 0.671 328 I N -3.473 117.075 120.570 -0.036 0.000 2.571 328 I HA 0.529 4.698 4.170 -0.001 0.000 0.282 328 I C -0.158 175.795 176.117 -0.275 0.000 1.085 328 I CA -0.903 60.313 61.300 -0.139 0.000 1.677 328 I CB -1.257 36.621 38.000 -0.203 0.000 1.460 328 I HN 0.289 nan 8.210 nan 0.000 0.693 329 W N 2.384 123.658 121.300 -0.043 0.000 2.485 329 W HA 0.580 5.239 4.660 -0.001 0.000 0.297 329 W C 0.203 176.873 176.519 0.252 0.000 0.999 329 W CA -0.703 56.660 57.345 0.029 0.000 1.512 329 W CB 1.214 30.555 29.460 -0.198 0.000 1.322 329 W HN 0.244 nan 8.180 nan 0.000 0.419 330 S N 1.669 117.629 115.700 0.434 0.000 2.576 330 S HA 0.356 4.826 4.470 -0.001 0.000 0.276 330 S C -0.100 174.815 174.600 0.524 0.000 1.339 330 S CA -0.739 57.719 58.200 0.431 0.000 1.039 330 S CB 1.475 64.827 63.200 0.252 0.000 0.902 330 S HN 0.415 nan 8.310 nan 0.000 0.516 331 I N 2.043 122.837 120.570 0.374 0.000 2.993 331 I HA 0.074 4.243 4.170 -0.001 0.000 0.286 331 I C 0.724 176.854 176.117 0.022 0.000 1.215 331 I CA 0.444 61.752 61.300 0.014 0.000 1.393 331 I CB 0.739 38.643 38.000 -0.160 0.000 1.371 331 I HN 0.579 nan 8.210 nan 0.000 0.602 332 V N 3.687 123.575 119.914 -0.042 0.000 3.572 332 V HA 0.354 4.473 4.120 -0.001 0.000 0.260 332 V C 0.104 176.195 176.094 -0.005 0.000 1.324 332 V CA 0.401 62.714 62.300 0.020 0.000 1.068 332 V CB -0.171 31.682 31.823 0.050 0.000 0.837 332 V HN 0.900 nan 8.190 nan 0.000 0.450 333 D N -0.548 119.806 120.400 -0.076 0.000 3.105 333 D HA 0.283 4.923 4.640 -0.001 0.000 0.297 333 D C -2.066 174.161 176.300 -0.121 0.000 1.148 333 D CA 0.129 54.097 54.000 -0.054 0.000 0.721 333 D CB 1.251 42.061 40.800 0.017 0.000 1.295 333 D HN 0.140 nan 8.370 nan 0.000 0.457 334 L N -1.544 119.619 121.223 -0.100 0.000 3.119 334 L HA 0.889 5.229 4.340 -0.001 0.000 0.283 334 L C -1.964 174.845 176.870 -0.101 0.000 1.028 334 L CA -0.739 54.013 54.840 -0.147 0.000 0.975 334 L CB 1.479 43.398 42.059 -0.234 0.000 1.543 334 L HN 0.316 nan 8.230 nan 0.000 0.390 335 V N 0.797 120.633 119.914 -0.129 0.000 2.823 335 V HA 0.596 4.715 4.120 -0.001 0.000 0.296 335 V C -1.777 174.238 176.094 -0.131 0.000 1.250 335 V CA -0.370 61.878 62.300 -0.086 0.000 0.939 335 V CB 1.925 33.726 31.823 -0.036 0.000 1.062 335 V HN 1.013 nan 8.190 nan 0.000 0.433 336 L N 6.357 127.517 121.223 -0.106 0.000 2.305 336 L HA 0.937 5.277 4.340 -0.001 0.000 0.281 336 L C 0.091 176.829 176.870 -0.220 0.000 1.085 336 L CA 1.606 56.354 54.840 -0.153 0.000 0.813 336 L CB 1.347 43.370 42.059 -0.059 0.000 1.157 336 L HN 1.108 nan 8.230 nan 0.000 0.436 337 T N 4.167 118.452 114.554 -0.449 0.000 2.717 337 T HA 0.347 4.696 4.350 -0.001 0.000 0.315 337 T C -0.696 173.573 174.700 -0.719 0.000 1.746 337 T CA -0.828 60.818 62.100 -0.756 0.000 1.001 337 T CB 0.612 69.301 68.868 -0.299 0.000 1.673 337 T HN 0.935 nan 8.240 nan 0.000 0.498 338 R N 1.538 121.603 120.500 -0.725 0.000 2.835 338 R HA 0.048 4.388 4.340 -0.001 0.000 0.279 338 R C -2.317 173.852 176.300 -0.219 0.000 0.968 338 R CA -0.309 55.575 56.100 -0.361 0.000 1.134 338 R CB -1.438 28.793 30.300 -0.115 0.000 1.036 338 R HN 0.585 nan 8.270 nan 0.000 0.459 339 P HA 0.024 nan 4.420 nan 0.000 0.274 339 P C -0.054 177.231 177.300 -0.024 0.000 1.246 339 P CA -0.411 62.647 63.100 -0.071 0.000 0.795 339 P CB 0.829 32.506 31.700 -0.038 0.000 1.006 340 L N 0.726 121.953 121.223 0.007 0.000 3.277 340 L HA 0.364 4.703 4.340 -0.001 0.000 0.178 340 L C 0.002 176.916 176.870 0.073 0.000 1.384 340 L CA 1.223 56.099 54.840 0.059 0.000 1.254 340 L CB -0.677 41.429 42.059 0.078 0.000 1.593 340 L HN 0.704 nan 8.230 nan 0.000 0.748 341 E N -0.335 119.902 120.200 0.060 0.000 2.391 341 E HA 0.185 4.535 4.350 -0.001 0.000 0.238 341 E C -1.374 175.241 176.600 0.025 0.000 1.153 341 E CA -0.020 56.411 56.400 0.052 0.000 0.530 341 E CB -1.349 28.399 29.700 0.081 0.000 1.038 341 E HN 0.325 nan 8.360 nan 0.000 0.416 342 L N 0.460 121.690 121.223 0.011 0.000 2.798 342 L HA 0.537 4.876 4.340 -0.001 0.000 0.230 342 L C 1.279 178.148 176.870 -0.001 0.000 1.868 342 L CA -1.034 53.801 54.840 -0.008 0.000 2.126 342 L CB -0.291 41.762 42.059 -0.010 0.000 2.569 342 L HN 0.073 nan 8.230 nan 0.000 0.592 343 N N -0.108 118.592 118.700 -0.000 0.000 2.048 343 N HA -0.038 4.702 4.740 -0.001 0.000 0.193 343 N C 0.525 176.044 175.510 0.015 0.000 1.061 343 N CA 0.628 53.682 53.050 0.007 0.000 0.849 343 N CB -0.491 38.003 38.487 0.010 0.000 1.044 343 N HN 0.172 nan 8.380 nan 0.000 0.429 344 V N 0.904 120.830 119.914 0.020 0.000 3.625 344 V HA -0.066 4.053 4.120 -0.001 0.000 0.302 344 V C 1.635 177.744 176.094 0.025 0.000 1.112 344 V CA 0.392 62.706 62.300 0.023 0.000 1.173 344 V CB 0.775 32.615 31.823 0.027 0.000 1.096 344 V HN 0.362 nan 8.190 nan 0.000 0.486 345 E N 1.199 121.415 120.200 0.026 0.000 2.152 345 E HA 0.221 4.570 4.350 -0.001 0.000 0.195 345 E C 1.180 177.802 176.600 0.037 0.000 0.934 345 E CA 0.626 57.044 56.400 0.029 0.000 0.869 345 E CB -0.293 29.422 29.700 0.026 0.000 0.842 345 E HN 0.874 nan 8.360 nan 0.000 0.472 346 A N 1.188 124.030 122.820 0.036 0.000 2.504 346 A HA 0.193 4.512 4.320 -0.001 0.000 0.280 346 A C 0.223 177.844 177.584 0.062 0.000 1.125 346 A CA 1.115 53.178 52.037 0.045 0.000 0.873 346 A CB -0.861 18.160 19.000 0.036 0.000 0.997 346 A HN 0.160 nan 8.150 nan 0.000 0.542 347 S N 1.180 116.931 115.700 0.083 0.000 2.595 347 S HA 0.763 5.233 4.470 -0.001 0.000 0.281 347 S C -0.371 174.348 174.600 0.197 0.000 1.117 347 S CA -0.186 58.077 58.200 0.104 0.000 0.873 347 S CB 1.218 64.456 63.200 0.063 0.000 1.108 347 S HN 0.990 nan 8.310 nan 0.000 0.477 348 Y N 2.177 122.486 120.300 0.015 0.000 3.004 348 Y HA 0.522 5.072 4.550 -0.000 0.000 0.236 348 Y C -1.232 174.669 175.900 0.002 0.000 1.097 348 Y CA -0.016 58.101 58.100 0.028 0.000 1.351 348 Y CB -0.019 38.476 38.460 0.058 0.000 1.406 348 Y HN 0.610 nan 8.280 nan 0.000 0.460 349 L N 1.266 122.503 121.223 0.023 0.000 2.415 349 L HA 0.539 4.878 4.340 -0.001 0.000 0.256 349 L C -1.688 175.101 176.870 -0.135 0.000 1.010 349 L CA -0.903 53.857 54.840 -0.135 0.000 0.826 349 L CB 2.245 44.273 42.059 -0.051 0.000 1.405 349 L HN 0.085 nan 8.230 nan 0.000 0.410 350 N N 2.288 120.862 118.700 -0.210 0.000 2.480 350 N HA 0.413 5.152 4.740 -0.001 0.000 0.289 350 N C -1.418 173.949 175.510 -0.238 0.000 1.073 350 N CA -0.314 52.620 53.050 -0.194 0.000 0.885 350 N CB 2.158 40.562 38.487 -0.140 0.000 1.421 350 N HN 0.280 nan 8.380 nan 0.000 0.503 351 L N 3.997 125.052 121.223 -0.281 0.000 2.315 351 L HA 0.550 4.890 4.340 -0.001 0.000 0.278 351 L C -0.836 175.878 176.870 -0.260 0.000 1.088 351 L CA -0.298 54.351 54.840 -0.319 0.000 0.899 351 L CB -0.224 41.564 42.059 -0.453 0.000 1.277 351 L HN 0.505 nan 8.230 nan 0.000 0.431 352 I N 5.505 125.965 120.570 -0.184 0.000 2.505 352 I HA 0.160 4.329 4.170 -0.001 0.000 0.287 352 I C -0.289 175.741 176.117 -0.145 0.000 1.104 352 I CA -0.149 61.077 61.300 -0.122 0.000 1.387 352 I CB 0.403 38.361 38.000 -0.070 0.000 1.404 352 I HN 0.262 nan 8.210 nan 0.000 0.528 353 V N 7.477 127.325 119.914 -0.110 0.000 2.628 353 V HA 0.509 4.628 4.120 -0.001 0.000 0.306 353 V C -0.358 175.618 176.094 -0.196 0.000 1.045 353 V CA -0.798 61.395 62.300 -0.178 0.000 0.905 353 V CB 2.177 33.978 31.823 -0.037 0.000 0.997 353 V HN 0.503 nan 8.190 nan 0.000 0.436 354 L N 4.192 125.215 121.223 -0.335 0.000 2.404 354 L HA 0.742 5.082 4.340 -0.001 0.000 0.272 354 L C -1.464 175.259 176.870 -0.244 0.000 0.980 354 L CA 0.091 54.815 54.840 -0.194 0.000 0.836 354 L CB 1.409 43.421 42.059 -0.079 0.000 1.238 354 L HN 0.696 nan 8.230 nan 0.000 0.408 355 W N 4.006 125.363 121.300 0.094 0.000 2.671 355 W HA 0.765 5.424 4.660 -0.001 0.000 0.360 355 W C -0.281 176.413 176.519 0.291 0.000 1.128 355 W CA -0.651 56.812 57.345 0.196 0.000 1.184 355 W CB 1.212 30.799 29.460 0.212 0.000 1.415 355 W HN 0.414 nan 8.180 nan 0.000 0.604 356 K N 0.391 121.157 120.400 0.610 0.000 2.433 356 K HA 0.716 5.036 4.320 -0.001 0.000 0.252 356 K C -1.230 175.527 176.600 0.261 0.000 1.015 356 K CA -0.822 55.705 56.287 0.400 0.000 0.860 356 K CB 2.009 34.626 32.500 0.194 0.000 1.359 356 K HN 0.332 nan 8.250 nan 0.000 0.452 357 S N 1.359 117.057 115.700 -0.004 0.000 2.325 357 S HA 0.474 4.944 4.470 -0.001 0.000 0.228 357 S C -0.143 174.350 174.600 -0.179 0.000 0.942 357 S CA 0.282 58.302 58.200 -0.300 0.000 1.070 357 S CB -0.167 62.429 63.200 -1.005 0.000 1.232 357 S HN 1.244 nan 8.310 nan 0.000 0.405 358 G N 4.005 112.749 108.800 -0.093 0.000 2.552 358 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.265 358 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.265 358 G C 0.973 175.858 174.900 -0.026 0.000 1.234 358 G CA 0.967 46.037 45.100 -0.050 0.000 0.944 358 G HN 1.913 nan 8.290 nan 0.000 0.568 359 T N -0.474 114.070 114.554 -0.017 0.000 2.770 359 T HA 0.423 4.772 4.350 -0.001 0.000 0.263 359 T C 1.891 176.591 174.700 -0.001 0.000 1.039 359 T CA 1.997 64.083 62.100 -0.023 0.000 1.142 359 T CB -0.763 68.104 68.868 -0.003 0.000 0.868 359 T HN 2.339 nan 8.240 nan 0.000 0.435 360 A N 1.929 124.766 122.820 0.028 0.000 2.613 360 A HA 0.445 4.764 4.320 -0.001 0.000 0.230 360 A C 0.715 178.419 177.584 0.199 0.000 1.051 360 A CA 0.263 52.361 52.037 0.101 0.000 0.754 360 A CB -0.334 18.719 19.000 0.088 0.000 0.979 360 A HN 1.138 nan 8.150 nan 0.000 0.510 361 S N 0.652 116.532 115.700 0.301 0.000 2.607 361 S HA 0.780 5.249 4.470 -0.001 0.000 0.273 361 S C -0.868 173.935 174.600 0.337 0.000 1.148 361 S CA -0.863 57.574 58.200 0.394 0.000 0.833 361 S CB 1.794 65.133 63.200 0.233 0.000 1.130 361 S HN 0.937 nan 8.310 nan 0.000 0.470 362 K N 0.544 121.090 120.400 0.243 0.000 2.427 362 K HA 0.673 4.992 4.320 -0.001 0.000 0.252 362 K C -2.110 174.516 176.600 0.044 0.000 0.931 362 K CA -0.866 55.421 56.287 0.000 0.000 0.793 362 K CB 1.838 34.088 32.500 -0.417 0.000 1.211 362 K HN 0.740 nan 8.250 nan 0.000 0.426 363 L N 3.439 124.590 121.223 -0.119 0.000 2.362 363 L HA 0.453 4.792 4.340 -0.001 0.000 0.275 363 L C -1.496 175.313 176.870 -0.102 0.000 0.998 363 L CA -0.036 54.695 54.840 -0.182 0.000 0.820 363 L CB 1.788 43.500 42.059 -0.580 0.000 1.270 363 L HN 0.712 nan 8.230 nan 0.000 0.415 364 Q N 5.009 124.838 119.800 0.048 0.000 2.423 364 Q HA 0.618 4.957 4.340 -0.001 0.000 0.278 364 Q C -1.430 174.624 176.000 0.090 0.000 1.097 364 Q CA -0.759 55.133 55.803 0.148 0.000 0.809 364 Q CB 3.187 32.190 28.738 0.442 0.000 1.391 364 Q HN 0.581 nan 8.270 nan 0.000 0.428 365 I N 2.169 122.776 120.570 0.061 0.000 2.406 365 I HA 0.251 4.421 4.170 -0.001 0.000 0.290 365 I C -1.112 174.941 176.117 -0.107 0.000 0.999 365 I CA -0.978 60.298 61.300 -0.040 0.000 1.124 365 I CB 1.540 39.519 38.000 -0.036 0.000 1.289 365 I HN 0.349 nan 8.210 nan 0.000 0.441 366 L N 7.261 128.289 121.223 -0.326 0.000 2.287 366 L HA 0.386 4.726 4.340 -0.001 0.000 0.280 366 L C -0.146 176.488 176.870 -0.392 0.000 1.055 366 L CA -0.155 54.292 54.840 -0.654 0.000 0.863 366 L CB 0.251 41.629 42.059 -1.135 0.000 1.245 366 L HN 0.521 nan 8.230 nan 0.000 0.432 367 N N 3.307 121.874 118.700 -0.222 0.000 2.475 367 N HA 0.274 5.014 4.740 -0.001 0.000 0.267 367 N C -0.666 174.812 175.510 -0.053 0.000 1.169 367 N CA -0.183 52.807 53.050 -0.099 0.000 0.947 367 N CB 1.098 39.571 38.487 -0.023 0.000 1.061 367 N HN 0.421 nan 8.380 nan 0.000 0.466 368 V N 2.163 122.071 119.914 -0.010 0.000 2.311 368 V HA 0.416 4.536 4.120 -0.001 0.000 0.275 368 V C 0.617 176.785 176.094 0.123 0.000 1.022 368 V CA -0.734 61.611 62.300 0.074 0.000 0.830 368 V CB 0.688 32.571 31.823 0.099 0.000 1.012 368 V HN 0.653 nan 8.190 nan 0.000 0.452 369 N N 3.715 122.478 118.700 0.105 0.000 2.036 369 N HA -0.113 4.626 4.740 -0.001 0.000 0.195 369 N C 0.229 175.786 175.510 0.080 0.000 1.037 369 N CA 2.224 55.323 53.050 0.081 0.000 0.855 369 N CB -0.173 38.344 38.487 0.051 0.000 1.033 369 N HN 1.040 nan 8.380 nan 0.000 0.423 370 D N -1.808 118.627 120.400 0.059 0.000 2.523 370 D HA 0.269 4.908 4.640 -0.001 0.000 0.236 370 D C -0.039 176.194 176.300 -0.113 0.000 1.094 370 D CA -0.721 53.260 54.000 -0.032 0.000 0.942 370 D CB 0.908 41.680 40.800 -0.048 0.000 1.447 370 D HN -0.073 nan 8.370 nan 0.000 0.479 371 E N -0.228 119.735 120.200 -0.394 0.000 2.171 371 E HA -0.146 4.203 4.350 -0.001 0.000 0.197 371 E C 0.364 176.722 176.600 -0.403 0.000 0.997 371 E CA 0.824 56.866 56.400 -0.597 0.000 0.810 371 E CB 0.017 29.301 29.700 -0.693 0.000 0.738 371 E HN 0.381 nan 8.360 nan 0.000 0.467 372 S N 0.210 115.769 115.700 -0.236 0.000 2.515 372 S HA 0.004 4.474 4.470 -0.001 0.000 0.285 372 S C -0.038 174.606 174.600 0.073 0.000 1.265 372 S CA -0.383 57.717 58.200 -0.166 0.000 1.079 372 S CB -0.081 63.061 63.200 -0.096 0.000 0.877 372 S HN 0.130 nan 8.310 nan 0.000 0.493 373 F N 5.453 125.367 119.950 -0.061 0.000 2.659 373 F HA 0.204 4.731 4.527 -0.001 0.000 0.360 373 F C 1.468 177.300 175.800 0.054 0.000 1.218 373 F CA -0.354 57.643 58.000 -0.005 0.000 1.317 373 F CB -0.039 38.938 39.000 -0.037 0.000 1.697 373 F HN 0.680 nan 8.300 nan 0.000 0.637 374 K N -0.475 120.081 120.400 0.260 0.000 2.604 374 K HA 0.034 4.353 4.320 -0.001 0.000 0.201 374 K C 0.125 176.777 176.600 0.086 0.000 1.733 374 K CA -0.134 56.269 56.287 0.192 0.000 1.115 374 K CB 0.472 33.027 32.500 0.092 0.000 1.532 374 K HN 0.026 nan 8.250 nan 0.000 0.595 375 N N 1.813 120.559 118.700 0.077 0.000 2.767 375 N HA 0.123 4.862 4.740 -0.001 0.000 0.238 375 N C -1.536 174.011 175.510 0.061 0.000 1.083 375 N CA 0.003 53.046 53.050 -0.011 0.000 0.964 375 N CB 0.306 38.794 38.487 0.001 0.000 1.252 375 N HN 0.118 nan 8.380 nan 0.000 0.512 376 Y N -0.682 119.642 120.300 0.039 0.000 2.524 376 Y HA 0.695 5.245 4.550 -0.001 0.000 0.344 376 Y C -0.414 175.504 175.900 0.030 0.000 1.012 376 Y CA -1.220 56.882 58.100 0.003 0.000 1.068 376 Y CB 1.409 39.845 38.460 -0.041 0.000 1.249 376 Y HN 0.036 nan 8.280 nan 0.000 0.468 377 E N 2.432 122.778 120.200 0.244 0.000 2.260 377 E HA 0.220 4.569 4.350 -0.001 0.000 0.266 377 E C -2.134 174.591 176.600 0.209 0.000 0.887 377 E CA -0.608 55.925 56.400 0.221 0.000 0.777 377 E CB 1.124 30.891 29.700 0.111 0.000 1.205 377 E HN 0.818 nan 8.360 nan 0.000 0.414 378 W N 4.375 125.775 121.300 0.167 0.000 2.315 378 W HA 0.413 5.072 4.660 -0.002 0.000 0.316 378 W C 0.266 176.815 176.519 0.050 0.000 1.211 378 W CA -0.171 57.235 57.345 0.101 0.000 1.201 378 W CB 0.676 30.193 29.460 0.095 0.000 1.184 378 W HN 0.313 nan 8.180 nan 0.000 0.544 379 I N 2.955 123.691 120.570 0.278 0.000 2.509 379 I HA 0.289 4.458 4.170 -0.001 0.000 0.293 379 I C 0.064 176.266 176.117 0.142 0.000 1.020 379 I CA -1.014 60.377 61.300 0.152 0.000 1.088 379 I CB 1.788 39.828 38.000 0.065 0.000 1.267 379 I HN 0.390 nan 8.210 nan 0.000 0.430 380 E N 3.259 123.505 120.200 0.077 0.000 2.316 380 E HA 0.660 5.009 4.350 -0.001 0.000 0.258 380 E C -1.037 175.549 176.600 -0.023 0.000 0.952 380 E CA -0.700 55.715 56.400 0.027 0.000 0.818 380 E CB 2.500 32.201 29.700 0.002 0.000 1.260 380 E HN 0.661 nan 8.360 nan 0.000 0.416 381 S N -1.164 114.500 115.700 -0.059 0.000 2.588 381 S HA 0.387 4.857 4.470 -0.001 0.000 0.275 381 S C -0.558 174.015 174.600 -0.045 0.000 1.130 381 S CA -0.948 57.208 58.200 -0.073 0.000 0.855 381 S CB 1.103 64.239 63.200 -0.107 0.000 1.116 381 S HN 0.203 nan 8.310 nan 0.000 0.472 382 V N 3.685 123.570 119.914 -0.049 0.000 2.493 382 V HA 0.093 4.213 4.120 -0.001 0.000 0.292 382 V C 1.453 177.613 176.094 0.111 0.000 1.016 382 V CA -0.064 62.237 62.300 0.003 0.000 1.097 382 V CB -0.523 31.236 31.823 -0.107 0.000 0.947 382 V HN 1.007 nan 8.190 nan 0.000 0.479 383 N N 3.510 122.285 118.700 0.125 0.000 2.449 383 N HA 0.003 4.742 4.740 -0.001 0.000 0.191 383 N C 0.151 175.773 175.510 0.186 0.000 1.161 383 N CA 0.079 53.239 53.050 0.182 0.000 0.863 383 N CB 0.363 38.943 38.487 0.154 0.000 0.980 383 N HN 0.480 nan 8.380 nan 0.000 0.458 384 K N 0.698 121.192 120.400 0.158 0.000 2.468 384 K HA 0.170 4.489 4.320 -0.001 0.000 0.252 384 K C -0.597 176.078 176.600 0.125 0.000 0.932 384 K CA -0.520 55.848 56.287 0.134 0.000 0.794 384 K CB 2.688 35.264 32.500 0.127 0.000 1.241 384 K HN 0.161 nan 8.250 nan 0.000 0.428 385 S N 1.816 117.571 115.700 0.092 0.000 2.560 385 S HA -0.035 4.435 4.470 -0.001 0.000 0.276 385 S C 1.446 176.131 174.600 0.142 0.000 1.350 385 S CA -0.078 58.173 58.200 0.084 0.000 1.024 385 S CB 0.355 63.582 63.200 0.045 0.000 0.864 385 S HN 0.629 nan 8.310 nan 0.000 0.536 386 L N 4.140 125.469 121.223 0.176 0.000 2.093 386 L HA 0.009 4.349 4.340 -0.001 0.000 0.208 386 L C 2.108 179.056 176.870 0.131 0.000 1.085 386 L CA 1.590 56.548 54.840 0.198 0.000 0.755 386 L CB -0.470 41.671 42.059 0.137 0.000 0.904 386 L HN 0.701 nan 8.230 nan 0.000 0.435 387 V N 0.037 120.024 119.914 0.122 0.000 2.237 387 V HA -0.295 3.824 4.120 -0.001 0.000 0.245 387 V C 2.278 178.400 176.094 0.046 0.000 1.046 387 V CA 2.065 64.418 62.300 0.089 0.000 1.007 387 V CB -0.990 30.852 31.823 0.033 0.000 0.638 387 V HN 0.451 nan 8.190 nan 0.000 0.445 388 D N 0.212 120.638 120.400 0.043 0.000 2.116 388 D HA -0.194 4.445 4.640 -0.001 0.000 0.193 388 D C 2.134 178.475 176.300 0.068 0.000 0.998 388 D CA 1.439 55.475 54.000 0.061 0.000 0.836 388 D CB -0.395 40.453 40.800 0.079 0.000 0.951 388 D HN 0.339 nan 8.370 nan 0.000 0.449 389 L N 0.604 121.860 121.223 0.056 0.000 2.079 389 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 389 L C 2.644 179.496 176.870 -0.030 0.000 1.081 389 L CA 1.221 56.046 54.840 -0.025 0.000 0.752 389 L CB -0.239 41.810 42.059 -0.017 0.000 0.896 389 L HN 0.059 nan 8.230 nan 0.000 0.433 390 Q N -1.334 118.489 119.800 0.039 0.000 2.050 390 Q HA -0.229 4.111 4.340 -0.001 0.000 0.202 390 Q C 2.455 178.501 176.000 0.077 0.000 0.980 390 Q CA 1.858 57.697 55.803 0.061 0.000 0.840 390 Q CB -0.281 28.503 28.738 0.077 0.000 0.898 390 Q HN 0.385 nan 8.270 nan 0.000 0.424 391 S N 0.344 116.089 115.700 0.075 0.000 2.359 391 S HA -0.198 4.272 4.470 -0.001 0.000 0.224 391 S C 1.691 176.364 174.600 0.121 0.000 1.035 391 S CA 1.218 59.471 58.200 0.088 0.000 1.018 391 S CB -0.079 63.175 63.200 0.091 0.000 0.876 391 S HN 0.300 nan 8.310 nan 0.000 0.448 392 E N -0.070 120.221 120.200 0.153 0.000 2.012 392 E HA -0.192 4.158 4.350 -0.001 0.000 0.211 392 E C 1.233 178.006 176.600 0.288 0.000 1.029 392 E CA 1.619 58.157 56.400 0.229 0.000 0.867 392 E CB -0.351 29.547 29.700 0.330 0.000 0.790 392 E HN 0.581 nan 8.360 nan 0.000 0.482 393 H N 0.767 119.869 119.070 0.054 0.000 2.689 393 H HA 0.061 4.617 4.556 -0.001 0.000 0.290 393 H C -0.606 174.746 175.328 0.040 0.000 1.089 393 H CA 0.432 56.505 56.048 0.042 0.000 1.194 393 H CB -1.205 28.582 29.762 0.043 0.000 1.289 393 H HN 0.203 nan 8.280 nan 0.000 0.616 394 D N 0.618 121.110 120.400 0.152 0.000 3.061 394 D HA -0.207 4.433 4.640 -0.001 0.000 0.203 394 D C 0.132 176.490 176.300 0.096 0.000 1.245 394 D CA 0.407 54.466 54.000 0.098 0.000 0.812 394 D CB -0.722 40.119 40.800 0.068 0.000 0.857 394 D HN 0.506 nan 8.370 nan 0.000 0.387 395 L N 0.982 122.263 121.223 0.098 0.000 3.086 395 L HA 0.196 4.535 4.340 -0.001 0.000 0.274 395 L C 0.646 177.570 176.870 0.091 0.000 1.184 395 L CA -0.482 54.414 54.840 0.093 0.000 1.002 395 L CB 0.419 42.539 42.059 0.102 0.000 1.383 395 L HN 0.238 nan 8.230 nan 0.000 0.582 396 D N 1.419 121.867 120.400 0.080 0.000 2.325 396 D HA 0.174 4.813 4.640 -0.001 0.000 0.251 396 D C 0.641 176.990 176.300 0.082 0.000 1.196 396 D CA 0.147 54.193 54.000 0.077 0.000 0.866 396 D CB 1.319 42.150 40.800 0.051 0.000 1.101 396 D HN 0.203 nan 8.370 nan 0.000 0.476 397 I N 3.041 123.683 120.570 0.121 0.000 4.082 397 I HA -0.041 4.129 4.170 -0.001 0.000 0.337 397 I C 1.483 177.696 176.117 0.161 0.000 1.352 397 I CA -0.089 61.299 61.300 0.147 0.000 1.097 397 I CB 0.741 38.859 38.000 0.196 0.000 1.048 397 I HN 0.241 nan 8.210 nan 0.000 0.393 398 V N -1.163 118.792 119.914 0.068 0.000 2.788 398 V HA 0.042 4.161 4.120 -0.001 0.000 0.241 398 V C 1.154 177.184 176.094 -0.106 0.000 1.083 398 V CA 0.546 62.798 62.300 -0.081 0.000 1.103 398 V CB -0.581 31.047 31.823 -0.326 0.000 0.800 398 V HN 0.261 nan 8.190 nan 0.000 0.476 399 T N 2.672 117.179 114.554 -0.078 0.000 2.849 399 T HA 0.006 4.356 4.350 -0.001 0.000 0.289 399 T C 0.248 174.923 174.700 -0.043 0.000 1.010 399 T CA 0.464 62.515 62.100 -0.081 0.000 1.161 399 T CB -0.134 68.696 68.868 -0.064 0.000 0.989 399 T HN 0.345 nan 8.240 nan 0.000 0.523 400 K N 3.768 124.135 120.400 -0.055 0.000 2.419 400 K HA 0.124 4.443 4.320 -0.001 0.000 0.282 400 K C 1.051 177.641 176.600 -0.018 0.000 1.056 400 K CA -0.066 56.205 56.287 -0.027 0.000 1.035 400 K CB 0.150 32.625 32.500 -0.041 0.000 0.921 400 K HN 0.713 nan 8.250 nan 0.000 0.472 401 T N -0.495 114.059 114.554 -0.002 0.000 2.936 401 T HA 0.775 5.125 4.350 -0.001 0.000 0.282 401 T C 0.831 175.531 174.700 0.001 0.000 1.003 401 T CA -0.117 61.984 62.100 0.003 0.000 1.005 401 T CB 2.042 70.917 68.868 0.011 0.000 1.097 401 T HN 0.681 nan 8.240 nan 0.000 0.532 402 G N 0.895 109.698 108.800 0.005 0.000 1.695 402 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.089 402 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.089 402 G C -0.155 174.749 174.900 0.006 0.000 1.061 402 G CA 0.175 45.277 45.100 0.003 0.000 1.207 402 G HN 0.943 nan 8.290 nan 0.000 0.389 403 D N -0.164 120.237 120.400 0.002 0.000 2.054 403 D HA 0.266 4.905 4.640 -0.001 0.000 0.241 403 D C 1.536 177.843 176.300 0.012 0.000 1.276 403 D CA 1.454 55.456 54.000 0.003 0.000 0.947 403 D CB 0.867 41.667 40.800 -0.001 0.000 1.340 403 D HN 0.850 nan 8.370 nan 0.000 0.538 404 V N -0.809 119.109 119.914 0.007 0.000 3.159 404 V HA 0.118 4.238 4.120 -0.001 0.000 0.234 404 V C 1.692 177.823 176.094 0.062 0.000 1.313 404 V CA 0.582 62.896 62.300 0.023 0.000 1.271 404 V CB -0.314 31.489 31.823 -0.033 0.000 1.053 404 V HN 0.500 nan 8.190 nan 0.000 0.476 405 E N 0.318 120.523 120.200 0.009 0.000 2.338 405 E HA -0.204 4.145 4.350 -0.001 0.000 0.197 405 E C 1.992 178.665 176.600 0.121 0.000 1.007 405 E CA 1.106 57.526 56.400 0.034 0.000 0.849 405 E CB 0.114 29.801 29.700 -0.022 0.000 0.774 405 E HN 0.518 nan 8.360 nan 0.000 0.506 406 R N 0.512 121.056 120.500 0.073 0.000 2.046 406 R HA -0.017 4.323 4.340 -0.001 0.000 0.223 406 R C 2.293 178.631 176.300 0.063 0.000 1.179 406 R CA 1.704 57.832 56.100 0.046 0.000 0.952 406 R CB -1.037 29.271 30.300 0.013 0.000 0.843 406 R HN 0.096 nan 8.270 nan 0.000 0.439 407 G N -0.578 108.264 108.800 0.070 0.000 2.516 407 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.221 407 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.221 407 G C 1.188 176.148 174.900 0.100 0.000 1.107 407 G CA 0.783 45.922 45.100 0.065 0.000 0.747 407 G HN 0.352 nan 8.290 nan 0.000 0.567 408 F N 0.091 120.027 119.950 -0.023 0.000 2.179 408 F HA 0.084 4.610 4.527 -0.001 0.000 0.292 408 F C 2.755 178.510 175.800 -0.075 0.000 1.089 408 F CA 0.617 58.614 58.000 -0.005 0.000 1.295 408 F CB -0.598 38.417 39.000 0.026 0.000 1.041 408 F HN 0.197 nan 8.300 nan 0.000 0.487 409 C N 0.822 120.155 119.300 0.056 0.000 2.413 409 C HA -0.225 4.234 4.460 -0.001 0.000 0.277 409 C C 2.651 177.523 174.990 -0.197 0.000 1.228 409 C CA 1.689 60.657 59.018 -0.083 0.000 1.731 409 C CB -1.501 26.222 27.740 -0.029 0.000 2.042 409 C HN 0.540 nan 8.230 nan 0.000 0.468 410 N N 1.064 119.682 118.700 -0.136 0.000 2.020 410 N HA -0.179 4.561 4.740 -0.001 0.000 0.200 410 N C 1.511 176.902 175.510 -0.199 0.000 1.054 410 N CA 1.804 54.760 53.050 -0.156 0.000 0.874 410 N CB -1.064 37.366 38.487 -0.095 0.000 1.075 410 N HN 0.456 nan 8.380 nan 0.000 0.446 411 L N 0.711 121.844 121.223 -0.149 0.000 2.085 411 L HA -0.287 4.052 4.340 -0.001 0.000 0.218 411 L C 2.392 179.126 176.870 -0.227 0.000 1.080 411 L CA 1.577 56.376 54.840 -0.068 0.000 0.776 411 L CB -0.412 41.620 42.059 -0.046 0.000 0.891 411 L HN 0.314 nan 8.230 nan 0.000 0.437 412 K N -0.714 119.294 120.400 -0.654 0.000 2.097 412 K HA -0.151 4.168 4.320 -0.001 0.000 0.206 412 K C 2.179 178.495 176.600 -0.473 0.000 1.049 412 K CA 1.595 57.262 56.287 -1.034 0.000 0.933 412 K CB 0.086 31.905 32.500 -1.136 0.000 0.717 412 K HN 0.204 nan 8.250 nan 0.000 0.442 413 S N 0.292 115.782 115.700 -0.350 0.000 2.336 413 S HA -0.074 4.396 4.470 -0.001 0.000 0.216 413 S C 1.773 176.197 174.600 -0.294 0.000 1.032 413 S CA 0.791 58.815 58.200 -0.293 0.000 0.973 413 S CB -0.272 62.747 63.200 -0.303 0.000 0.888 413 S HN 0.356 nan 8.310 nan 0.000 0.455 414 R N -0.510 119.800 120.500 -0.317 0.000 2.226 414 R HA -0.171 4.168 4.340 -0.001 0.000 0.246 414 R C 1.215 177.190 176.300 -0.541 0.000 1.161 414 R CA 1.500 57.347 56.100 -0.421 0.000 0.997 414 R CB -0.155 29.899 30.300 -0.410 0.000 0.870 414 R HN 0.449 nan 8.270 nan 0.000 0.465 415 Y N -1.346 118.874 120.300 -0.134 0.000 2.581 415 Y HA 0.302 4.851 4.550 -0.001 0.000 0.271 415 Y C 0.880 176.762 175.900 -0.029 0.000 1.100 415 Y CA 0.691 58.759 58.100 -0.053 0.000 1.281 415 Y CB 0.748 39.206 38.460 -0.003 0.000 1.237 415 Y HN 0.250 nan 8.280 nan 0.000 0.514 416 G N 0.586 109.404 108.800 0.030 0.000 2.892 416 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.686 416 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.686 416 G C 0.684 175.650 174.900 0.109 0.000 1.244 416 G CA 0.065 45.172 45.100 0.011 0.000 0.947 416 G HN 0.246 nan 8.290 nan 0.000 0.584 417 T N 0.846 115.445 114.554 0.075 0.000 2.374 417 T HA -0.472 3.877 4.350 -0.001 0.000 0.217 417 T C 2.254 177.076 174.700 0.204 0.000 1.488 417 T CA 2.981 65.167 62.100 0.144 0.000 1.061 417 T CB -0.706 68.220 68.868 0.097 0.000 0.819 417 T HN 0.961 nan 8.240 nan 0.000 0.445 418 Q N 0.083 119.995 119.800 0.187 0.000 1.978 418 Q HA -0.180 4.160 4.340 -0.001 0.000 0.211 418 Q C 2.432 178.620 176.000 0.313 0.000 1.013 418 Q CA 2.445 58.390 55.803 0.236 0.000 0.869 418 Q CB -0.425 28.451 28.738 0.230 0.000 0.953 418 Q HN 0.685 nan 8.270 nan 0.000 0.415 419 I N -0.064 120.722 120.570 0.360 0.000 2.335 419 I HA -0.250 3.919 4.170 -0.001 0.000 0.251 419 I C 2.218 178.400 176.117 0.109 0.000 1.129 419 I CA 0.906 62.346 61.300 0.235 0.000 1.402 419 I CB -0.281 37.855 38.000 0.226 0.000 1.069 419 I HN 0.308 nan 8.210 nan 0.000 0.424 420 F N 1.568 121.524 119.950 0.010 0.000 2.259 420 F HA -0.136 4.390 4.527 -0.001 0.000 0.298 420 F C 2.338 178.106 175.800 -0.054 0.000 1.088 420 F CA 1.499 59.456 58.000 -0.072 0.000 1.358 420 F CB -0.085 38.876 39.000 -0.066 0.000 1.040 420 F HN 0.007 nan 8.300 nan 0.000 0.505 421 E N -0.606 119.644 120.200 0.084 0.000 2.170 421 E HA -0.153 4.196 4.350 -0.001 0.000 0.191 421 E C 2.131 178.708 176.600 -0.038 0.000 0.981 421 E CA 0.341 56.742 56.400 0.002 0.000 0.830 421 E CB -0.027 29.735 29.700 0.104 0.000 0.775 421 E HN 0.087 nan 8.360 nan 0.000 0.470 422 R N 1.119 121.625 120.500 0.011 0.000 2.096 422 R HA -0.062 4.277 4.340 -0.001 0.000 0.235 422 R C 1.817 178.054 176.300 -0.104 0.000 1.127 422 R CA 1.679 57.779 56.100 0.000 0.000 0.968 422 R CB -0.534 29.797 30.300 0.051 0.000 0.861 422 R HN 0.113 nan 8.270 nan 0.000 0.440 423 A N -0.113 122.589 122.820 -0.197 0.000 2.066 423 A HA -0.055 4.265 4.320 -0.001 0.000 0.218 423 A C 1.887 179.320 177.584 -0.252 0.000 1.157 423 A CA 0.990 52.876 52.037 -0.252 0.000 0.670 423 A CB -0.260 18.535 19.000 -0.342 0.000 0.804 423 A HN 0.464 nan 8.150 nan 0.000 0.453 424 Q N -0.977 118.647 119.800 -0.293 0.000 2.389 424 Q HA -0.108 4.232 4.340 -0.001 0.000 0.204 424 Q C 2.147 178.107 176.000 -0.068 0.000 0.944 424 Q CA 0.955 56.627 55.803 -0.218 0.000 0.908 424 Q CB 0.078 28.631 28.738 -0.308 0.000 1.002 424 Q HN 0.901 nan 8.270 nan 0.000 0.493 425 Q N 1.049 120.812 119.800 -0.061 0.000 1.984 425 Q HA -0.108 4.232 4.340 -0.001 0.000 0.196 425 Q C 2.027 178.018 176.000 -0.016 0.000 0.975 425 Q CA 0.768 56.560 55.803 -0.017 0.000 0.827 425 Q CB -0.112 28.624 28.738 -0.004 0.000 0.894 425 Q HN 0.316 nan 8.270 nan 0.000 0.438 426 I N 1.393 121.943 120.570 -0.033 0.000 2.367 426 I HA -0.309 3.860 4.170 -0.001 0.000 0.256 426 I C 2.190 178.297 176.117 -0.016 0.000 1.132 426 I CA 0.939 62.221 61.300 -0.030 0.000 1.397 426 I CB -0.204 37.762 38.000 -0.057 0.000 1.074 426 I HN 0.396 nan 8.210 nan 0.000 0.435 427 L N -0.151 121.069 121.223 -0.005 0.000 2.341 427 L HA -0.080 4.260 4.340 -0.001 0.000 0.214 427 L C 2.635 179.534 176.870 0.047 0.000 1.115 427 L CA 1.295 56.165 54.840 0.050 0.000 0.820 427 L CB -0.278 41.870 42.059 0.148 0.000 0.944 427 L HN 0.400 nan 8.230 nan 0.000 0.452 428 S N -1.080 114.636 115.700 0.026 0.000 2.398 428 S HA -0.089 4.380 4.470 -0.001 0.000 0.220 428 S C 1.571 176.173 174.600 0.003 0.000 1.046 428 S CA 0.156 58.361 58.200 0.008 0.000 0.953 428 S CB -0.195 63.010 63.200 0.008 0.000 0.856 428 S HN 0.324 nan 8.310 nan 0.000 0.506 429 E N 2.136 122.339 120.200 0.004 0.000 2.136 429 E HA -0.187 4.162 4.350 -0.001 0.000 0.202 429 E C 0.958 177.559 176.600 0.002 0.000 1.019 429 E CA 1.464 57.866 56.400 0.003 0.000 0.819 429 E CB -0.543 29.159 29.700 0.003 0.000 0.739 429 E HN 0.672 nan 8.360 nan 0.000 0.458 430 N N 1.147 119.848 118.700 0.002 0.000 2.375 430 N HA -0.010 4.729 4.740 -0.001 0.000 0.220 430 N C -0.848 174.662 175.510 0.001 0.000 1.170 430 N CA -0.075 52.976 53.050 0.002 0.000 0.833 430 N CB 0.348 38.837 38.487 0.002 0.000 1.069 430 N HN -0.036 nan 8.380 nan 0.000 0.479 431 K N 1.005 121.403 120.400 -0.004 0.000 4.814 431 K HA -0.175 4.145 4.320 -0.001 0.000 0.295 431 K C -0.756 175.833 176.600 -0.017 0.000 0.828 431 K CA 0.955 57.235 56.287 -0.012 0.000 0.895 431 K CB -1.326 31.168 32.500 -0.011 0.000 1.810 431 K HN 0.467 nan 8.250 nan 0.000 0.418 432 I N 2.143 122.697 120.570 -0.027 0.000 2.649 432 I HA 0.461 4.631 4.170 -0.001 0.000 0.289 432 I C 0.369 176.403 176.117 -0.139 0.000 1.222 432 I CA -0.972 60.300 61.300 -0.045 0.000 1.046 432 I CB 1.661 39.674 38.000 0.021 0.000 1.272 432 I HN 0.274 nan 8.210 nan 0.000 0.425 433 I N 1.624 122.050 120.570 -0.239 0.000 3.264 433 I HA 0.622 4.792 4.170 -0.001 0.000 0.315 433 I C -0.855 174.915 176.117 -0.579 0.000 1.154 433 I CA -1.204 59.845 61.300 -0.417 0.000 0.962 433 I CB 2.318 40.181 38.000 -0.227 0.000 1.265 433 I HN 0.595 nan 8.210 nan 0.000 0.463 434 M N 2.975 122.180 119.600 -0.659 0.000 2.120 434 M HA 0.525 5.005 4.480 -0.001 0.000 0.354 434 M C 0.514 176.698 176.300 -0.193 0.000 1.287 434 M CA -0.075 54.941 55.300 -0.473 0.000 1.103 434 M CB 1.382 33.760 32.600 -0.370 0.000 1.623 434 M HN 0.942 nan 8.290 nan 0.000 0.471 435 A N 4.776 127.541 122.820 -0.092 0.000 2.877 435 A HA 0.034 4.353 4.320 -0.001 0.000 0.167 435 A C 0.644 178.269 177.584 0.068 0.000 1.210 435 A CA 0.917 52.967 52.037 0.022 0.000 0.889 435 A CB -0.652 18.424 19.000 0.127 0.000 0.935 435 A HN 0.926 nan 8.150 nan 0.000 0.544 436 H N -0.819 118.222 119.070 -0.049 0.000 2.490 436 H HA 0.300 4.856 4.556 -0.001 0.000 0.354 436 H C -0.753 174.544 175.328 -0.052 0.000 1.365 436 H CA -0.337 55.684 56.048 -0.045 0.000 1.413 436 H CB -0.214 29.530 29.762 -0.030 0.000 1.631 436 H HN 0.365 nan 8.280 nan 0.000 0.607 437 N N -0.179 118.455 118.700 -0.110 0.000 2.683 437 N HA 0.057 4.797 4.740 -0.001 0.000 0.256 437 N C -0.646 174.673 175.510 -0.318 0.000 1.270 437 N CA 0.285 53.215 53.050 -0.200 0.000 0.954 437 N CB -0.103 38.324 38.487 -0.099 0.000 1.289 437 N HN 0.551 nan 8.380 nan 0.000 0.508 438 E N -1.125 118.668 120.200 -0.678 0.000 3.042 438 E HA 0.003 4.352 4.350 -0.001 0.000 0.144 438 E C -1.119 175.104 176.600 -0.629 0.000 0.893 438 E CA -0.139 55.897 56.400 -0.608 0.000 1.422 438 E CB 0.130 29.578 29.700 -0.420 0.000 0.997 438 E HN 0.074 nan 8.360 nan 0.000 0.420 439 D N 1.571 121.705 120.400 -0.445 0.000 2.662 439 D HA -0.030 4.610 4.640 -0.001 0.000 0.228 439 D C 0.593 176.902 176.300 0.015 0.000 1.090 439 D CA 0.411 54.336 54.000 -0.124 0.000 1.118 439 D CB 0.106 40.893 40.800 -0.022 0.000 1.129 439 D HN 0.258 nan 8.370 nan 0.000 0.472 440 E N 0.362 120.564 120.200 0.002 0.000 2.401 440 E HA -0.240 4.109 4.350 -0.001 0.000 0.204 440 E C 1.277 177.919 176.600 0.071 0.000 1.036 440 E CA 0.793 57.218 56.400 0.041 0.000 0.856 440 E CB 0.253 29.977 29.700 0.040 0.000 0.770 440 E HN 0.577 nan 8.360 nan 0.000 0.527 441 E N -0.550 119.705 120.200 0.092 0.000 2.216 441 E HA -0.073 4.276 4.350 -0.001 0.000 0.192 441 E C 1.532 178.229 176.600 0.161 0.000 0.973 441 E CA -0.036 56.424 56.400 0.100 0.000 0.851 441 E CB 0.038 29.788 29.700 0.083 0.000 0.804 441 E HN 0.388 nan 8.360 nan 0.000 0.477 442 Y N 1.101 121.415 120.300 0.024 0.000 2.128 442 Y HA -0.316 4.233 4.550 -0.001 0.000 0.284 442 Y C 2.014 177.957 175.900 0.072 0.000 1.154 442 Y CA 0.844 58.968 58.100 0.042 0.000 1.149 442 Y CB 0.081 38.566 38.460 0.042 0.000 0.976 442 Y HN 0.037 nan 8.280 nan 0.000 0.505 443 L N 0.189 121.474 121.223 0.104 0.000 1.929 443 L HA -0.374 3.966 4.340 -0.001 0.000 0.229 443 L C 2.825 179.691 176.870 -0.006 0.000 1.086 443 L CA 1.609 56.464 54.840 0.025 0.000 0.798 443 L CB -1.058 41.044 42.059 0.071 0.000 0.898 443 L HN 0.357 nan 8.230 nan 0.000 0.436 444 A N -0.436 122.398 122.820 0.024 0.000 2.067 444 A HA -0.298 4.021 4.320 -0.001 0.000 0.224 444 A C 1.941 179.521 177.584 -0.005 0.000 1.172 444 A CA 2.391 54.436 52.037 0.013 0.000 0.662 444 A CB -0.802 18.213 19.000 0.026 0.000 0.814 444 A HN 0.635 nan 8.150 nan 0.000 0.468 445 N N -0.399 118.302 118.700 0.002 0.000 2.124 445 N HA -0.031 4.708 4.740 -0.001 0.000 0.189 445 N C 1.813 177.270 175.510 -0.089 0.000 1.050 445 N CA 1.123 54.168 53.050 -0.009 0.000 0.848 445 N CB -0.730 37.800 38.487 0.072 0.000 1.027 445 N HN 0.472 nan 8.380 nan 0.000 0.435 446 L N 1.944 123.059 121.223 -0.181 0.000 2.034 446 L HA -0.253 4.087 4.340 -0.001 0.000 0.217 446 L C 2.375 179.109 176.870 -0.227 0.000 1.077 446 L CA 1.642 56.307 54.840 -0.292 0.000 0.769 446 L CB -0.197 41.600 42.059 -0.437 0.000 0.890 446 L HN 0.248 nan 8.230 nan 0.000 0.435 447 E N -0.499 119.612 120.200 -0.148 0.000 2.033 447 E HA -0.232 4.117 4.350 -0.001 0.000 0.199 447 E C 1.967 178.494 176.600 -0.123 0.000 1.011 447 E CA 2.313 58.649 56.400 -0.108 0.000 0.815 447 E CB -0.306 29.373 29.700 -0.035 0.000 0.755 447 E HN 0.564 nan 8.360 nan 0.000 0.451 448 T N 1.688 116.189 114.554 -0.089 0.000 2.867 448 T HA -0.091 4.259 4.350 -0.001 0.000 0.268 448 T C 1.928 176.557 174.700 -0.118 0.000 1.057 448 T CA 0.659 62.713 62.100 -0.076 0.000 1.136 448 T CB -0.009 68.832 68.868 -0.044 0.000 0.874 448 T HN 0.056 nan 8.240 nan 0.000 0.466 449 I N 1.133 121.614 120.570 -0.149 0.000 2.315 449 I HA -0.038 4.131 4.170 -0.001 0.000 0.248 449 I C 2.275 178.234 176.117 -0.264 0.000 1.117 449 I CA 0.946 62.139 61.300 -0.178 0.000 1.404 449 I CB -1.313 36.582 38.000 -0.175 0.000 1.071 449 I HN 0.271 nan 8.210 nan 0.000 0.419 450 L N 0.043 121.047 121.223 -0.365 0.000 1.994 450 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 450 L C 2.838 179.412 176.870 -0.493 0.000 1.071 450 L CA 1.177 55.635 54.840 -0.637 0.000 0.745 450 L CB -0.582 40.859 42.059 -1.030 0.000 0.892 450 L HN 0.142 nan 8.230 nan 0.000 0.431 451 R N 0.340 120.687 120.500 -0.255 0.000 2.113 451 R HA -0.205 4.134 4.340 -0.001 0.000 0.244 451 R C 1.832 178.095 176.300 -0.061 0.000 1.142 451 R CA 1.793 57.871 56.100 -0.037 0.000 0.953 451 R CB -1.211 29.094 30.300 0.009 0.000 0.860 451 R HN 0.518 nan 8.270 nan 0.000 0.438 452 D N 0.198 120.529 120.400 -0.114 0.000 2.078 452 D HA -0.100 4.539 4.640 -0.001 0.000 0.193 452 D C 2.066 178.268 176.300 -0.163 0.000 0.990 452 D CA 1.323 55.258 54.000 -0.107 0.000 0.827 452 D CB -0.130 40.610 40.800 -0.099 0.000 0.975 452 D HN 0.001 nan 8.370 nan 0.000 0.451 453 V N 1.475 121.226 119.914 -0.271 0.000 2.380 453 V HA -0.282 3.837 4.120 -0.001 0.000 0.251 453 V C 2.440 178.212 176.094 -0.537 0.000 1.063 453 V CA 1.819 63.840 62.300 -0.463 0.000 1.055 453 V CB -0.525 30.964 31.823 -0.558 0.000 0.657 453 V HN 0.115 nan 8.190 nan 0.000 0.455 454 K N 0.973 121.215 120.400 -0.263 0.000 2.025 454 K HA -0.163 4.156 4.320 -0.001 0.000 0.207 454 K C 2.078 178.711 176.600 0.054 0.000 1.049 454 K CA 2.203 58.478 56.287 -0.019 0.000 0.933 454 K CB -0.692 31.923 32.500 0.192 0.000 0.714 454 K HN 0.566 nan 8.250 nan 0.000 0.438 455 T N -0.058 114.512 114.554 0.027 0.000 2.867 455 T HA -0.034 4.316 4.350 -0.001 0.000 0.268 455 T C 1.962 176.689 174.700 0.046 0.000 1.057 455 T CA 0.973 63.102 62.100 0.048 0.000 1.136 455 T CB -0.514 68.375 68.868 0.036 0.000 0.874 455 T HN 0.327 nan 8.240 nan 0.000 0.466 456 A N 1.838 124.669 122.820 0.018 0.000 1.845 456 A HA 0.012 4.331 4.320 -0.001 0.000 0.215 456 A C 2.013 179.735 177.584 0.229 0.000 1.195 456 A CA 1.194 53.275 52.037 0.074 0.000 0.616 456 A CB -1.025 17.976 19.000 0.001 0.000 0.832 456 A HN 0.368 nan 8.150 nan 0.000 0.443 457 F N 0.734 120.715 119.950 0.051 0.000 2.126 457 F HA -0.112 4.414 4.527 -0.001 0.000 0.299 457 F C 1.770 177.579 175.800 0.015 0.000 1.096 457 F CA 0.971 59.005 58.000 0.057 0.000 1.255 457 F CB -1.022 38.015 39.000 0.060 0.000 0.997 457 F HN 0.232 nan 8.300 nan 0.000 0.479 458 N N 1.197 120.023 118.700 0.210 0.000 2.466 458 N HA -0.084 4.656 4.740 -0.001 0.000 0.211 458 N C 0.149 175.643 175.510 -0.025 0.000 1.256 458 N CA 0.123 53.221 53.050 0.080 0.000 0.840 458 N CB -0.455 38.084 38.487 0.086 0.000 1.079 458 N HN 0.435 nan 8.380 nan 0.000 0.466 459 E N 0.671 120.793 120.200 -0.130 0.000 2.324 459 E HA 0.280 4.630 4.350 -0.001 0.000 0.271 459 E C 0.040 176.353 176.600 -0.478 0.000 1.028 459 E CA -0.534 55.643 56.400 -0.372 0.000 0.890 459 E CB 0.792 30.060 29.700 -0.720 0.000 1.004 459 E HN 0.225 nan 8.360 nan 0.000 0.431 460 A N 3.450 126.106 122.820 -0.274 0.000 2.504 460 A HA 0.057 4.376 4.320 -0.001 0.000 0.242 460 A C 0.878 178.316 177.584 -0.242 0.000 1.100 460 A CA 0.792 52.732 52.037 -0.161 0.000 0.786 460 A CB 0.561 19.549 19.000 -0.020 0.000 1.050 460 A HN 0.709 nan 8.150 nan 0.000 0.512 461 S N -2.143 113.508 115.700 -0.083 0.000 2.126 461 S HA 0.216 4.686 4.470 -0.001 0.000 0.242 461 S C -0.285 174.326 174.600 0.018 0.000 0.898 461 S CA 1.058 59.267 58.200 0.015 0.000 1.395 461 S CB -0.680 62.546 63.200 0.043 0.000 0.966 461 S HN 2.493 nan 8.310 nan 0.000 0.435 462 S N 0.840 116.516 115.700 -0.040 0.000 2.604 462 S HA 0.507 4.977 4.470 -0.001 0.000 0.296 462 S C -0.759 173.831 174.600 -0.017 0.000 1.097 462 S CA -0.929 57.260 58.200 -0.019 0.000 0.883 462 S CB 0.118 63.264 63.200 -0.089 0.000 1.081 462 S HN 0.357 nan 8.310 nan 0.000 0.448 463 I N 1.751 122.329 120.570 0.014 0.000 3.378 463 I HA 0.577 4.746 4.170 -0.001 0.000 0.284 463 I C 0.548 176.679 176.117 0.024 0.000 1.157 463 I CA -0.108 61.211 61.300 0.032 0.000 1.193 463 I CB 1.106 39.124 38.000 0.030 0.000 1.461 463 I HN 0.849 nan 8.210 nan 0.000 0.674 464 T N 2.345 116.923 114.554 0.040 0.000 3.289 464 T HA 0.314 4.663 4.350 -0.001 0.000 0.370 464 T C -0.938 173.795 174.700 0.055 0.000 1.546 464 T CA -0.637 61.485 62.100 0.037 0.000 1.144 464 T CB 0.872 69.728 68.868 -0.021 0.000 1.379 464 T HN 0.260 nan 8.240 nan 0.000 0.478 465 L N 4.026 125.299 121.223 0.084 0.000 2.314 465 L HA 0.417 4.757 4.340 -0.001 0.000 0.275 465 L C -0.376 176.565 176.870 0.118 0.000 1.068 465 L CA -0.881 54.018 54.840 0.098 0.000 0.894 465 L CB 0.073 42.187 42.059 0.092 0.000 1.275 465 L HN 0.664 nan 8.230 nan 0.000 0.432 466 Y N 4.006 124.255 120.300 -0.084 0.000 2.650 466 Y HA 0.380 4.929 4.550 -0.001 0.000 0.342 466 Y C 1.119 177.095 175.900 0.126 0.000 1.110 466 Y CA 1.197 59.192 58.100 -0.174 0.000 1.438 466 Y CB 0.087 38.395 38.460 -0.253 0.000 1.181 466 Y HN 0.774 nan 8.280 nan 0.000 0.526 467 G N 5.234 113.995 108.800 -0.065 0.000 2.498 467 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.245 467 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.245 467 G C 0.399 175.354 174.900 0.092 0.000 1.204 467 G CA 0.166 45.340 45.100 0.124 0.000 0.933 467 G HN 0.543 nan 8.290 nan 0.000 0.574 468 D N 1.751 122.205 120.400 0.089 0.000 2.074 468 D HA 0.154 4.794 4.640 -0.001 0.000 0.221 468 D C 1.401 177.724 176.300 0.038 0.000 0.972 468 D CA 1.942 55.965 54.000 0.039 0.000 0.901 468 D CB -0.340 40.481 40.800 0.035 0.000 1.047 468 D HN 0.718 nan 8.370 nan 0.000 0.453 469 E N 0.423 120.629 120.200 0.010 0.000 3.167 469 E HA 0.374 4.724 4.350 -0.001 0.000 0.212 469 E C -0.714 175.811 176.600 -0.124 0.000 1.143 469 E CA -0.308 56.091 56.400 -0.001 0.000 1.002 469 E CB 0.544 30.265 29.700 0.035 0.000 1.315 469 E HN 0.068 nan 8.360 nan 0.000 0.422 470 I N 2.634 123.150 120.570 -0.090 0.000 2.418 470 I HA 0.363 4.532 4.170 -0.001 0.000 0.287 470 I C -0.110 176.070 176.117 0.106 0.000 1.008 470 I CA -1.137 60.051 61.300 -0.187 0.000 1.104 470 I CB 1.380 39.355 38.000 -0.042 0.000 1.264 470 I HN 0.448 nan 8.210 nan 0.000 0.438 471 I N 6.844 127.579 120.570 0.275 0.000 2.379 471 I HA 0.164 4.333 4.170 -0.001 0.000 0.290 471 I C -0.235 176.032 176.117 0.250 0.000 1.063 471 I CA -0.272 61.189 61.300 0.267 0.000 1.351 471 I CB 0.655 38.849 38.000 0.323 0.000 1.410 471 I HN 0.300 nan 8.210 nan 0.000 0.505 472 L N 8.273 129.596 121.223 0.168 0.000 2.356 472 L HA 0.558 4.898 4.340 -0.001 0.000 0.277 472 L C -0.637 176.307 176.870 0.123 0.000 0.996 472 L CA -0.401 54.512 54.840 0.121 0.000 0.822 472 L CB 1.752 43.815 42.059 0.007 0.000 1.256 472 L HN 0.281 nan 8.230 nan 0.000 0.413 473 V N 4.994 124.995 119.914 0.145 0.000 2.427 473 V HA 0.498 4.617 4.120 -0.001 0.000 0.286 473 V C -0.264 175.881 176.094 0.086 0.000 1.034 473 V CA -0.815 61.563 62.300 0.130 0.000 0.893 473 V CB 1.531 33.482 31.823 0.214 0.000 0.982 473 V HN 0.754 nan 8.190 nan 0.000 0.452 474 N N 2.697 121.410 118.700 0.022 0.000 2.479 474 N HA 0.458 5.198 4.740 -0.001 0.000 0.285 474 N C -0.581 174.843 175.510 -0.143 0.000 1.075 474 N CA -0.267 52.751 53.050 -0.053 0.000 0.967 474 N CB 1.587 39.991 38.487 -0.138 0.000 1.137 474 N HN 0.596 nan 8.380 nan 0.000 0.472 475 C N 0.870 120.045 119.300 -0.208 0.000 2.486 475 C HA 0.419 4.879 4.460 -0.001 0.000 0.348 475 C C 2.244 177.195 174.990 -0.065 0.000 1.203 475 C CA -0.817 58.114 59.018 -0.146 0.000 1.911 475 C CB 0.446 28.123 27.740 -0.105 0.000 2.340 475 C HN 0.754 nan 8.230 nan 0.000 0.511 476 F N 0.170 120.022 119.950 -0.164 0.000 2.027 476 F HA -0.205 4.321 4.527 -0.001 0.000 0.297 476 F C 1.768 177.469 175.800 -0.165 0.000 1.129 476 F CA 1.257 59.143 58.000 -0.191 0.000 1.195 476 F CB -0.223 38.739 39.000 -0.063 0.000 0.960 476 F HN 0.548 nan 8.300 nan 0.000 0.485 477 Q N 2.956 122.816 119.800 0.100 0.000 2.281 477 Q HA 0.119 4.459 4.340 -0.001 0.000 0.267 477 Q C -2.289 173.627 176.000 -0.141 0.000 1.053 477 Q CA -2.273 53.433 55.803 -0.163 0.000 0.905 477 Q CB 0.424 28.724 28.738 -0.731 0.000 1.195 477 Q HN -0.084 nan 8.270 nan 0.000 0.398 478 P HA -0.155 nan 4.420 nan 0.000 0.267 478 P C -0.848 176.116 177.300 -0.561 0.000 1.201 478 P CA 0.379 63.175 63.100 -0.507 0.000 0.775 478 P CB 0.270 31.306 31.700 -1.108 0.000 0.854 479 Y N -2.323 117.831 120.300 -0.243 0.000 4.879 479 Y HA -0.192 4.358 4.550 -0.001 0.000 0.247 479 Y C 0.291 176.121 175.900 -0.117 0.000 0.985 479 Y CA 0.217 58.151 58.100 -0.276 0.000 2.000 479 Y CB -2.789 35.478 38.460 -0.322 0.000 1.519 479 Y HN 0.445 nan 8.280 nan 0.000 0.613 480 N N 1.348 119.955 118.700 -0.156 0.000 2.354 480 N HA 0.447 5.187 4.740 -0.001 0.000 0.287 480 N C -0.483 174.756 175.510 -0.452 0.000 1.016 480 N CA -0.423 52.538 53.050 -0.148 0.000 0.871 480 N CB 1.640 40.067 38.487 -0.100 0.000 1.299 480 N HN 0.284 nan 8.380 nan 0.000 0.482 481 H N -0.256 118.846 119.070 0.053 0.000 2.960 481 H HA 0.470 5.025 4.556 -0.001 0.000 0.338 481 H C -0.838 174.497 175.328 0.011 0.000 1.261 481 H CA -0.580 55.487 56.048 0.032 0.000 1.136 481 H CB 2.166 31.953 29.762 0.041 0.000 1.875 481 H HN 0.342 nan 8.280 nan 0.000 0.550 482 S N 1.481 117.237 115.700 0.093 0.000 2.677 482 S HA 0.276 4.745 4.470 -0.001 0.000 0.283 482 S C -0.722 173.789 174.600 -0.149 0.000 1.159 482 S CA -0.668 57.482 58.200 -0.083 0.000 1.001 482 S CB 1.618 64.710 63.200 -0.180 0.000 1.032 482 S HN 0.417 nan 8.310 nan 0.000 0.487 483 L N 3.901 125.029 121.223 -0.160 0.000 2.295 483 L HA 0.607 4.946 4.340 -0.001 0.000 0.285 483 L C -1.666 175.064 176.870 -0.235 0.000 1.035 483 L CA -0.688 54.102 54.840 -0.083 0.000 0.806 483 L CB 0.542 42.611 42.059 0.016 0.000 1.214 483 L HN 0.651 nan 8.230 nan 0.000 0.426 484 Y N 5.088 125.451 120.300 0.106 0.000 2.454 484 Y HA 0.303 4.853 4.550 -0.001 0.000 0.345 484 Y C 0.189 176.124 175.900 0.058 0.000 0.970 484 Y CA -0.288 57.844 58.100 0.053 0.000 1.204 484 Y CB 0.868 39.354 38.460 0.043 0.000 1.122 484 Y HN 0.481 nan 8.280 nan 0.000 0.514 485 K N 3.975 124.416 120.400 0.069 0.000 2.143 485 K HA 0.395 4.715 4.320 -0.001 0.000 0.272 485 K C -0.801 175.648 176.600 -0.252 0.000 1.001 485 K CA -0.811 55.454 56.287 -0.038 0.000 0.915 485 K CB 0.861 33.351 32.500 -0.017 0.000 1.047 485 K HN 0.718 nan 8.250 nan 0.000 0.458 486 L N 5.010 125.909 121.223 -0.541 0.000 2.433 486 L HA 0.104 4.444 4.340 -0.001 0.000 0.275 486 L C -0.442 176.297 176.870 -0.218 0.000 1.128 486 L CA -0.312 54.262 54.840 -0.444 0.000 0.875 486 L CB 0.231 41.932 42.059 -0.597 0.000 1.171 486 L HN 0.663 nan 8.230 nan 0.000 0.463 487 N N 2.842 121.446 118.700 -0.159 0.000 2.454 487 N HA 0.025 4.764 4.740 -0.001 0.000 0.254 487 N C 0.222 175.674 175.510 -0.095 0.000 1.228 487 N CA 0.394 53.386 53.050 -0.095 0.000 0.900 487 N CB 0.689 39.146 38.487 -0.049 0.000 1.089 487 N HN 0.720 nan 8.380 nan 0.000 0.449 488 T N -1.687 112.814 114.554 -0.088 0.000 2.771 488 T HA 0.149 4.498 4.350 -0.001 0.000 0.290 488 T C 1.456 176.052 174.700 -0.173 0.000 1.005 488 T CA -0.304 61.732 62.100 -0.107 0.000 0.944 488 T CB 0.327 69.142 68.868 -0.089 0.000 1.147 488 T HN 0.406 nan 8.240 nan 0.000 0.534 489 T N 0.753 115.157 114.554 -0.250 0.000 2.622 489 T HA -0.131 4.219 4.350 -0.001 0.000 0.266 489 T C 2.135 176.364 174.700 -0.786 0.000 1.047 489 T CA 1.736 63.533 62.100 -0.504 0.000 1.159 489 T CB -0.754 67.801 68.868 -0.522 0.000 0.863 489 T HN 0.510 nan 8.240 nan 0.000 0.422 490 V N 1.994 121.585 119.914 -0.538 0.000 2.231 490 V HA -0.244 3.876 4.120 -0.001 0.000 0.248 490 V C 2.432 178.500 176.094 -0.044 0.000 1.054 490 V CA 1.913 64.044 62.300 -0.282 0.000 1.015 490 V CB -0.919 30.927 31.823 0.038 0.000 0.638 490 V HN 0.561 nan 8.190 nan 0.000 0.444 491 E N 0.467 120.661 120.200 -0.010 0.000 2.284 491 E HA -0.256 4.093 4.350 -0.001 0.000 0.200 491 E C 1.980 178.780 176.600 0.333 0.000 1.008 491 E CA 1.379 57.883 56.400 0.175 0.000 0.829 491 E CB -0.328 29.455 29.700 0.137 0.000 0.744 491 E HN 0.659 nan 8.360 nan 0.000 0.491 492 N N -0.308 118.457 118.700 0.110 0.000 2.290 492 N HA -0.087 4.653 4.740 -0.001 0.000 0.179 492 N C 1.502 177.233 175.510 0.367 0.000 1.016 492 N CA 0.697 53.851 53.050 0.173 0.000 0.871 492 N CB -0.032 38.453 38.487 -0.004 0.000 0.987 492 N HN 0.286 nan 8.380 nan 0.000 0.431 493 W N 1.346 122.829 121.300 0.305 0.000 2.379 493 W HA -0.049 4.610 4.660 -0.001 0.000 0.307 493 W C 2.151 178.827 176.519 0.263 0.000 1.200 493 W CA -0.057 57.532 57.345 0.407 0.000 1.297 493 W CB -1.519 28.180 29.460 0.399 0.000 1.140 493 W HN -0.041 nan 8.180 nan 0.000 0.507 494 F N 0.424 120.548 119.950 0.290 0.000 2.011 494 F HA -0.306 4.220 4.527 -0.001 0.000 0.296 494 F C 2.247 178.057 175.800 0.018 0.000 1.144 494 F CA 1.938 59.962 58.000 0.040 0.000 1.185 494 F CB -1.316 37.599 39.000 -0.141 0.000 0.961 494 F HN -0.219 nan 8.300 nan 0.000 0.485 495 Y N 0.288 120.698 120.300 0.182 0.000 2.651 495 Y HA -0.086 4.464 4.550 -0.001 0.000 0.296 495 Y C 1.234 177.164 175.900 0.050 0.000 1.150 495 Y CA 1.161 59.291 58.100 0.050 0.000 1.348 495 Y CB -0.602 37.963 38.460 0.175 0.000 0.983 495 Y HN 0.222 nan 8.280 nan 0.000 0.555 496 N N -1.359 117.495 118.700 0.257 0.000 2.305 496 N HA 0.080 4.819 4.740 -0.001 0.000 0.248 496 N C 1.040 176.727 175.510 0.295 0.000 1.290 496 N CA 0.109 53.308 53.050 0.248 0.000 0.873 496 N CB 0.336 38.975 38.487 0.252 0.000 1.261 496 N HN 0.205 nan 8.380 nan 0.000 0.504 497 M N 0.758 120.443 119.600 0.142 0.000 2.315 497 M HA -0.141 4.338 4.480 -0.001 0.000 0.264 497 M C 1.768 178.080 176.300 0.020 0.000 1.075 497 M CA 1.764 57.056 55.300 -0.013 0.000 1.093 497 M CB -1.325 31.014 32.600 -0.435 0.000 1.251 497 M HN 0.261 nan 8.290 nan 0.000 0.449 498 H N -1.093 118.028 119.070 0.085 0.000 2.489 498 H HA -0.030 4.525 4.556 -0.001 0.000 0.293 498 H C 2.176 177.567 175.328 0.105 0.000 1.066 498 H CA 1.445 57.540 56.048 0.079 0.000 1.305 498 H CB -0.516 29.268 29.762 0.036 0.000 1.386 498 H HN 0.364 nan 8.280 nan 0.000 0.551 499 S N -0.290 115.533 115.700 0.205 0.000 2.603 499 S HA -0.030 4.440 4.470 -0.001 0.000 0.229 499 S C 0.646 175.322 174.600 0.126 0.000 0.972 499 S CA 0.220 58.512 58.200 0.153 0.000 0.935 499 S CB 0.212 63.495 63.200 0.138 0.000 0.769 499 S HN 0.523 nan 8.310 nan 0.000 0.536 500 E N -1.565 118.726 120.200 0.153 0.000 2.449 500 E HA 0.414 4.763 4.350 -0.001 0.000 0.278 500 E C -1.520 175.138 176.600 0.097 0.000 1.059 500 E CA -0.635 55.811 56.400 0.076 0.000 0.854 500 E CB 1.518 31.198 29.700 -0.034 0.000 1.465 500 E HN 0.162 nan 8.360 nan 0.000 0.462 501 T N 0.700 115.259 114.554 0.008 0.000 2.883 501 T HA 0.426 4.775 4.350 -0.001 0.000 0.301 501 T C -1.541 173.122 174.700 -0.063 0.000 1.158 501 T CA -0.519 61.603 62.100 0.036 0.000 1.007 501 T CB 1.255 70.154 68.868 0.050 0.000 1.186 501 T HN 0.663 nan 8.240 nan 0.000 0.499 502 D N -0.445 119.941 120.400 -0.024 0.000 9.948 502 D HA 0.172 4.811 4.640 -0.001 0.000 0.354 502 D C 0.215 176.414 176.300 -0.169 0.000 2.964 502 D CA 1.733 55.703 54.000 -0.050 0.000 2.324 502 D CB -0.987 39.788 40.800 -0.042 0.000 1.175 502 D HN 1.410 nan 8.370 nan 0.000 1.063 503 G N -1.149 107.595 108.800 -0.094 0.000 2.587 503 G HA2 0.428 4.388 3.960 -0.001 0.000 0.686 503 G HA3 0.428 4.388 3.960 -0.001 0.000 0.686 503 G C 0.148 175.058 174.900 0.017 0.000 1.236 503 G CA 0.671 45.715 45.100 -0.092 0.000 0.820 503 G HN 1.486 nan 8.290 nan 0.000 0.645 504 S N 0.024 115.776 115.700 0.086 0.000 2.586 504 S HA 0.142 4.611 4.470 -0.001 0.000 0.256 504 S C 1.337 175.984 174.600 0.078 0.000 1.392 504 S CA 1.002 59.259 58.200 0.096 0.000 0.983 504 S CB 0.764 64.056 63.200 0.154 0.000 0.897 504 S HN 0.775 nan 8.310 nan 0.000 0.566 505 E N 0.003 120.258 120.200 0.092 0.000 2.023 505 E HA -0.147 4.203 4.350 -0.001 0.000 0.196 505 E C 1.983 178.626 176.600 0.072 0.000 1.003 505 E CA 1.130 57.620 56.400 0.150 0.000 0.809 505 E CB -0.609 29.180 29.700 0.150 0.000 0.755 505 E HN 0.613 nan 8.360 nan 0.000 0.449 506 L N 0.957 122.155 121.223 -0.042 0.000 2.030 506 L HA -0.256 4.084 4.340 -0.001 0.000 0.222 506 L C 2.324 178.966 176.870 -0.380 0.000 1.082 506 L CA 1.870 56.606 54.840 -0.172 0.000 0.785 506 L CB -1.012 40.961 42.059 -0.143 0.000 0.895 506 L HN 0.130 nan 8.230 nan 0.000 0.439 507 F N 0.437 119.896 119.950 -0.818 0.000 2.027 507 F HA -0.358 4.168 4.527 -0.001 0.000 0.297 507 F C 2.393 177.935 175.800 -0.429 0.000 1.129 507 F CA 2.558 59.977 58.000 -0.968 0.000 1.195 507 F CB -0.460 37.993 39.000 -0.913 0.000 0.960 507 F HN 0.090 nan 8.300 nan 0.000 0.485 508 K N -0.925 119.435 120.400 -0.067 0.000 2.034 508 K HA -0.310 4.009 4.320 -0.001 0.000 0.214 508 K C 2.003 178.428 176.600 -0.292 0.000 1.051 508 K CA 2.223 58.505 56.287 -0.007 0.000 0.931 508 K CB -1.053 31.688 32.500 0.401 0.000 0.715 508 K HN 0.465 nan 8.250 nan 0.000 0.446 509 Y N 1.965 121.846 120.300 -0.698 0.000 2.053 509 Y HA -0.262 4.287 4.550 -0.001 0.000 0.277 509 Y C 1.874 177.411 175.900 -0.605 0.000 1.159 509 Y CA 1.606 59.059 58.100 -1.078 0.000 1.125 509 Y CB -0.537 37.395 38.460 -0.879 0.000 0.969 509 Y HN -0.038 nan 8.280 nan 0.000 0.492 510 L N -0.026 120.881 121.223 -0.526 0.000 2.189 510 L HA -0.251 4.088 4.340 -0.001 0.000 0.214 510 L C 2.756 179.320 176.870 -0.510 0.000 1.097 510 L CA 1.813 56.352 54.840 -0.502 0.000 0.764 510 L CB -0.532 41.315 42.059 -0.353 0.000 0.900 510 L HN 0.240 nan 8.230 nan 0.000 0.436 511 R N -0.079 120.070 120.500 -0.585 0.000 2.100 511 R HA -0.106 4.233 4.340 -0.001 0.000 0.220 511 R C 2.452 178.581 176.300 -0.285 0.000 1.091 511 R CA 1.520 57.333 56.100 -0.479 0.000 0.986 511 R CB -0.102 29.855 30.300 -0.572 0.000 0.888 511 R HN 0.430 nan 8.270 nan 0.000 0.444 512 T N -0.789 113.605 114.554 -0.268 0.000 2.962 512 T HA -0.084 4.266 4.350 -0.001 0.000 0.270 512 T C 1.735 176.341 174.700 -0.157 0.000 1.088 512 T CA 0.684 62.702 62.100 -0.136 0.000 1.127 512 T CB -0.075 68.760 68.868 -0.056 0.000 0.883 512 T HN 0.042 nan 8.240 nan 0.000 0.493 513 L N 2.024 123.063 121.223 -0.306 0.000 2.049 513 L HA 0.156 4.495 4.340 -0.001 0.000 0.203 513 L C 2.681 179.505 176.870 -0.077 0.000 1.074 513 L CA 1.535 56.233 54.840 -0.237 0.000 0.749 513 L CB -1.143 40.667 42.059 -0.416 0.000 0.907 513 L HN 0.417 nan 8.230 nan 0.000 0.439 514 N N -0.322 118.293 118.700 -0.141 0.000 2.104 514 N HA -0.183 4.557 4.740 -0.001 0.000 0.190 514 N C 1.735 177.238 175.510 -0.012 0.000 1.024 514 N CA 1.159 54.156 53.050 -0.088 0.000 0.853 514 N CB -0.164 38.219 38.487 -0.173 0.000 1.008 514 N HN 0.396 nan 8.380 nan 0.000 0.424 515 G N -0.873 107.923 108.800 -0.006 0.000 2.615 515 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.213 515 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.213 515 G C 0.870 175.854 174.900 0.139 0.000 1.135 515 G CA 0.326 45.468 45.100 0.070 0.000 0.772 515 G HN 0.435 nan 8.290 nan 0.000 0.542 516 F N 0.388 120.319 119.950 -0.033 0.000 2.522 516 F HA 0.495 5.021 4.527 -0.001 0.000 0.275 516 F C 2.506 178.288 175.800 -0.031 0.000 0.890 516 F CA 0.672 58.655 58.000 -0.029 0.000 1.157 516 F CB -0.435 38.538 39.000 -0.045 0.000 1.117 516 F HN 0.095 nan 8.300 nan 0.000 0.787 517 A N 0.876 123.691 122.820 -0.008 0.000 1.915 517 A HA -0.321 3.999 4.320 -0.001 0.000 0.220 517 A C 2.305 179.802 177.584 -0.146 0.000 1.198 517 A CA 3.171 55.148 52.037 -0.100 0.000 0.647 517 A CB -1.716 17.291 19.000 0.011 0.000 0.825 517 A HN 0.640 nan 8.150 nan 0.000 0.456 518 S N -0.389 115.264 115.700 -0.078 0.000 2.413 518 S HA -0.257 4.213 4.470 -0.001 0.000 0.237 518 S C 1.765 176.312 174.600 -0.088 0.000 1.044 518 S CA 2.250 60.422 58.200 -0.046 0.000 1.024 518 S CB -1.656 61.550 63.200 0.010 0.000 0.829 518 S HN 1.092 nan 8.310 nan 0.000 0.475 519 T N -0.065 114.386 114.554 -0.172 0.000 3.148 519 T HA 0.370 4.719 4.350 -0.001 0.000 0.253 519 T C 0.514 175.103 174.700 -0.184 0.000 1.134 519 T CA -0.375 61.620 62.100 -0.174 0.000 1.051 519 T CB -0.660 68.090 68.868 -0.197 0.000 0.959 519 T HN 0.404 nan 8.240 nan 0.000 0.525 520 L N 1.926 123.029 121.223 -0.199 0.000 2.387 520 L HA 0.596 4.936 4.340 -0.001 0.000 0.266 520 L C 0.785 177.609 176.870 -0.076 0.000 1.059 520 L CA -1.227 53.532 54.840 -0.136 0.000 0.801 520 L CB 1.282 43.256 42.059 -0.142 0.000 1.223 520 L HN 0.205 nan 8.230 nan 0.000 0.456 521 S N -0.627 115.043 115.700 -0.051 0.000 2.652 521 S HA 0.227 4.697 4.470 -0.001 0.000 0.270 521 S C 0.565 175.152 174.600 -0.022 0.000 1.243 521 S CA -0.732 57.449 58.200 -0.032 0.000 0.999 521 S CB 1.210 64.394 63.200 -0.027 0.000 0.973 521 S HN 0.577 nan 8.310 nan 0.000 0.544 522 N N 1.476 120.173 118.700 -0.005 0.000 2.142 522 N HA -0.072 4.668 4.740 -0.001 0.000 0.186 522 N C 0.992 176.506 175.510 0.007 0.000 1.023 522 N CA 1.667 54.723 53.050 0.010 0.000 0.852 522 N CB -0.914 37.589 38.487 0.027 0.000 0.998 522 N HN 0.748 nan 8.380 nan 0.000 0.424 523 D N -0.036 120.364 120.400 -0.001 0.000 2.172 523 D HA -0.119 4.520 4.640 -0.001 0.000 0.196 523 D C 1.863 178.151 176.300 -0.020 0.000 0.999 523 D CA 0.733 54.729 54.000 -0.006 0.000 0.856 523 D CB -0.134 40.658 40.800 -0.013 0.000 0.934 523 D HN 0.046 nan 8.370 nan 0.000 0.453 524 V N 0.364 120.261 119.914 -0.029 0.000 2.323 524 V HA -0.177 3.943 4.120 -0.001 0.000 0.244 524 V C 2.384 178.445 176.094 -0.054 0.000 1.041 524 V CA 1.129 63.402 62.300 -0.045 0.000 1.025 524 V CB -0.458 31.340 31.823 -0.042 0.000 0.656 524 V HN 0.249 nan 8.190 nan 0.000 0.451 525 L N -0.283 120.919 121.223 -0.034 0.000 1.976 525 L HA -0.186 4.153 4.340 -0.001 0.000 0.209 525 L C 2.849 179.709 176.870 -0.018 0.000 1.071 525 L CA 1.910 56.732 54.840 -0.031 0.000 0.746 525 L CB -0.812 41.246 42.059 -0.002 0.000 0.890 525 L HN 0.268 nan 8.230 nan 0.000 0.432 526 R N 0.525 121.042 120.500 0.028 0.000 2.133 526 R HA -0.241 4.099 4.340 -0.001 0.000 0.245 526 R C 2.472 178.769 176.300 -0.005 0.000 1.137 526 R CA 2.080 58.216 56.100 0.061 0.000 0.947 526 R CB -1.186 29.152 30.300 0.062 0.000 0.865 526 R HN 0.528 nan 8.270 nan 0.000 0.437 527 S N 0.736 116.410 115.700 -0.044 0.000 2.407 527 S HA -0.183 4.286 4.470 -0.001 0.000 0.235 527 S C 2.004 176.505 174.600 -0.164 0.000 1.036 527 S CA 1.430 59.580 58.200 -0.084 0.000 1.013 527 S CB -0.463 62.688 63.200 -0.081 0.000 0.820 527 S HN 0.313 nan 8.310 nan 0.000 0.476 528 I N 1.155 121.585 120.570 -0.233 0.000 2.270 528 I HA -0.086 4.084 4.170 -0.001 0.000 0.239 528 I C 2.963 178.699 176.117 -0.634 0.000 1.080 528 I CA 1.073 62.076 61.300 -0.496 0.000 1.383 528 I CB -0.786 36.876 38.000 -0.563 0.000 1.097 528 I HN 0.432 nan 8.210 nan 0.000 0.420 529 S N 1.040 116.548 115.700 -0.319 0.000 2.389 529 S HA -0.339 4.130 4.470 -0.001 0.000 0.231 529 S C 2.093 176.649 174.600 -0.074 0.000 1.052 529 S CA 2.264 60.487 58.200 0.040 0.000 1.053 529 S CB -0.251 63.159 63.200 0.350 0.000 0.886 529 S HN 0.204 nan 8.310 nan 0.000 0.456 530 K N 1.403 121.729 120.400 -0.124 0.000 2.001 530 K HA -0.090 4.229 4.320 -0.001 0.000 0.214 530 K C 2.182 178.697 176.600 -0.140 0.000 1.050 530 K CA 1.766 57.978 56.287 -0.125 0.000 0.934 530 K CB -0.435 32.012 32.500 -0.089 0.000 0.718 530 K HN 0.181 nan 8.250 nan 0.000 0.443 531 K N -0.179 120.097 120.400 -0.207 0.000 2.032 531 K HA -0.121 4.199 4.320 -0.001 0.000 0.209 531 K C 2.188 178.747 176.600 -0.068 0.000 1.048 531 K CA 1.402 57.589 56.287 -0.166 0.000 0.927 531 K CB -0.610 31.743 32.500 -0.245 0.000 0.712 531 K HN 0.153 nan 8.250 nan 0.000 0.441 532 F N 1.537 121.340 119.950 -0.245 0.000 2.120 532 F HA -0.153 4.374 4.527 -0.001 0.000 0.300 532 F C 2.382 178.036 175.800 -0.244 0.000 1.095 532 F CA 0.639 58.427 58.000 -0.355 0.000 1.249 532 F CB -1.183 37.399 39.000 -0.698 0.000 0.995 532 F HN -0.043 nan 8.300 nan 0.000 0.480 533 L N -0.336 120.901 121.223 0.023 0.000 2.079 533 L HA -0.259 4.080 4.340 -0.001 0.000 0.210 533 L C 2.166 179.087 176.870 0.084 0.000 1.081 533 L CA 1.521 56.420 54.840 0.098 0.000 0.752 533 L CB -0.652 41.379 42.059 -0.048 0.000 0.896 533 L HN 0.133 nan 8.230 nan 0.000 0.433 534 D N 0.223 120.639 120.400 0.027 0.000 2.097 534 D HA -0.162 4.478 4.640 -0.001 0.000 0.197 534 D C 2.210 178.516 176.300 0.010 0.000 0.984 534 D CA 1.121 55.131 54.000 0.017 0.000 0.826 534 D CB -0.131 40.671 40.800 0.004 0.000 0.973 534 D HN 0.327 nan 8.370 nan 0.000 0.460 535 I N 0.867 121.450 120.570 0.022 0.000 2.462 535 I HA -0.271 3.898 4.170 -0.001 0.000 0.259 535 I C 2.108 178.215 176.117 -0.016 0.000 1.156 535 I CA 0.908 62.223 61.300 0.026 0.000 1.417 535 I CB -0.071 37.961 38.000 0.052 0.000 1.088 535 I HN 0.040 nan 8.210 nan 0.000 0.442 536 I N -0.599 119.935 120.570 -0.059 0.000 2.947 536 I HA -0.136 4.033 4.170 -0.001 0.000 0.263 536 I C 2.568 178.576 176.117 -0.182 0.000 1.130 536 I CA 1.116 62.320 61.300 -0.160 0.000 1.448 536 I CB -0.374 37.444 38.000 -0.303 0.000 1.222 536 I HN 0.221 nan 8.210 nan 0.000 0.453 537 T N -1.215 113.260 114.554 -0.132 0.000 2.881 537 T HA 0.002 4.351 4.350 -0.001 0.000 0.270 537 T C 1.666 176.347 174.700 -0.033 0.000 1.068 537 T CA 1.223 63.281 62.100 -0.069 0.000 1.131 537 T CB -0.111 68.776 68.868 0.031 0.000 0.871 537 T HN 0.566 nan 8.240 nan 0.000 0.479 538 G N 0.913 109.698 108.800 -0.024 0.000 2.238 538 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.217 538 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.217 538 G C 0.681 175.585 174.900 0.007 0.000 0.996 538 G CA 0.638 45.734 45.100 -0.007 0.000 0.632 538 G HN 0.520 nan 8.290 nan 0.000 0.503 539 E N 0.139 120.345 120.200 0.011 0.000 2.233 539 E HA -0.040 4.309 4.350 -0.001 0.000 0.199 539 E C 1.308 177.917 176.600 0.014 0.000 1.004 539 E CA 0.991 57.399 56.400 0.014 0.000 0.819 539 E CB -0.159 29.549 29.700 0.014 0.000 0.738 539 E HN 0.573 nan 8.360 nan 0.000 0.478 540 L N 1.539 122.772 121.223 0.017 0.000 2.417 540 L HA 0.306 4.645 4.340 -0.001 0.000 0.258 540 L C -2.232 174.656 176.870 0.029 0.000 1.088 540 L CA -2.311 52.545 54.840 0.026 0.000 0.975 540 L CB 0.697 42.777 42.059 0.034 0.000 1.341 540 L HN -0.078 nan 8.230 nan 0.000 0.431 541 P HA -0.224 nan 4.420 nan 0.000 0.262 541 P C 0.307 177.622 177.300 0.026 0.000 1.126 541 P CA 0.684 63.798 63.100 0.022 0.000 0.755 541 P CB 0.530 32.243 31.700 0.022 0.000 0.716 542 D N 3.889 124.300 120.400 0.018 0.000 2.126 542 D HA -0.230 4.410 4.640 -0.001 0.000 0.190 542 D C 1.716 178.029 176.300 0.022 0.000 1.001 542 D CA 2.493 56.503 54.000 0.018 0.000 0.841 542 D CB -0.444 40.361 40.800 0.009 0.000 0.949 542 D HN 0.402 nan 8.370 nan 0.000 0.446 543 S N 0.260 115.971 115.700 0.018 0.000 2.433 543 S HA -0.373 4.096 4.470 -0.001 0.000 0.276 543 S C 1.309 175.923 174.600 0.024 0.000 1.122 543 S CA 1.576 59.787 58.200 0.018 0.000 1.277 543 S CB -1.353 61.857 63.200 0.017 0.000 1.198 543 S HN 0.479 nan 8.310 nan 0.000 0.440 544 M N 2.765 122.384 119.600 0.032 0.000 2.189 544 M HA 0.004 4.484 4.480 -0.001 0.000 0.319 544 M C 0.783 177.109 176.300 0.043 0.000 0.991 544 M CA 0.733 56.058 55.300 0.043 0.000 1.000 544 M CB -0.403 32.233 32.600 0.061 0.000 1.542 544 M HN 0.643 nan 8.290 nan 0.000 0.442 545 T N -1.356 113.222 114.554 0.041 0.000 2.897 545 T HA 0.152 4.501 4.350 -0.001 0.000 0.294 545 T C 0.551 175.276 174.700 0.041 0.000 1.004 545 T CA -0.947 61.168 62.100 0.025 0.000 1.106 545 T CB 0.746 69.619 68.868 0.009 0.000 0.949 545 T HN 0.643 nan 8.240 nan 0.000 0.520 546 T N 3.080 117.639 114.554 0.009 0.000 4.210 546 T HA 0.272 4.622 4.350 -0.001 0.000 0.229 546 T C 0.785 175.367 174.700 -0.196 0.000 0.813 546 T CA -0.091 61.999 62.100 -0.016 0.000 0.888 546 T CB -0.956 67.882 68.868 -0.050 0.000 1.327 546 T HN 0.628 nan 8.240 nan 0.000 0.739 547 V N -0.842 119.046 119.914 -0.043 0.000 3.289 547 V HA 0.141 4.261 4.120 -0.001 0.000 0.262 547 V C 1.635 177.775 176.094 0.076 0.000 1.707 547 V CA -0.245 62.025 62.300 -0.051 0.000 1.024 547 V CB 0.420 32.213 31.823 -0.050 0.000 0.871 547 V HN 0.376 nan 8.190 nan 0.000 0.397 548 E N 1.061 121.328 120.200 0.111 0.000 2.162 548 E HA 0.031 4.380 4.350 -0.001 0.000 0.193 548 E C 1.776 178.483 176.600 0.179 0.000 0.953 548 E CA 0.552 57.022 56.400 0.118 0.000 0.849 548 E CB 0.123 29.871 29.700 0.080 0.000 0.810 548 E HN 0.513 nan 8.360 nan 0.000 0.470 549 K N 0.820 121.355 120.400 0.225 0.000 2.001 549 K HA -0.168 4.151 4.320 -0.001 0.000 0.214 549 K C 1.777 178.549 176.600 0.286 0.000 1.050 549 K CA 1.569 57.998 56.287 0.237 0.000 0.934 549 K CB -0.407 32.265 32.500 0.287 0.000 0.718 549 K HN 0.006 nan 8.250 nan 0.000 0.443 550 F N 1.540 121.562 119.950 0.119 0.000 2.411 550 F HA -0.189 4.338 4.527 -0.001 0.000 0.299 550 F C 2.172 178.061 175.800 0.150 0.000 1.077 550 F CA 1.196 59.289 58.000 0.156 0.000 1.439 550 F CB -0.629 38.459 39.000 0.148 0.000 1.085 550 F HN 0.092 nan 8.300 nan 0.000 0.564 551 T N -2.037 112.684 114.554 0.277 0.000 3.034 551 T HA -0.085 4.265 4.350 -0.001 0.000 0.248 551 T C 1.814 176.656 174.700 0.237 0.000 1.040 551 T CA 0.651 62.875 62.100 0.207 0.000 1.107 551 T CB -0.089 68.842 68.868 0.105 0.000 0.932 551 T HN 0.280 nan 8.240 nan 0.000 0.474 552 D N 2.411 122.915 120.400 0.174 0.000 2.092 552 D HA -0.113 4.526 4.640 -0.001 0.000 0.193 552 D C 1.381 177.748 176.300 0.113 0.000 0.994 552 D CA 0.963 55.037 54.000 0.124 0.000 0.828 552 D CB -0.303 40.551 40.800 0.090 0.000 0.963 552 D HN 0.340 nan 8.370 nan 0.000 0.450 553 I N 0.367 120.995 120.570 0.096 0.000 3.443 553 I HA -0.076 4.094 4.170 -0.001 0.000 0.312 553 I C 0.893 177.079 176.117 0.114 0.000 1.155 553 I CA 0.091 61.406 61.300 0.025 0.000 1.210 553 I CB -0.511 37.452 38.000 -0.063 0.000 0.999 553 I HN 0.058 nan 8.210 nan 0.000 0.537 554 F N 0.168 120.124 119.950 0.011 0.000 2.557 554 F HA 0.142 4.669 4.527 -0.001 0.000 0.300 554 F C 1.902 177.720 175.800 0.031 0.000 0.867 554 F CA 0.106 58.129 58.000 0.038 0.000 1.085 554 F CB 0.237 39.276 39.000 0.066 0.000 0.907 554 F HN -0.248 nan 8.300 nan 0.000 0.700 555 K N 0.764 121.230 120.400 0.110 0.000 2.076 555 K HA 0.055 4.374 4.320 -0.001 0.000 0.204 555 K C 1.248 177.798 176.600 -0.085 0.000 1.051 555 K CA 1.218 57.505 56.287 -0.000 0.000 0.949 555 K CB -0.671 31.887 32.500 0.096 0.000 0.726 555 K HN 0.244 nan 8.250 nan 0.000 0.443 556 N N -0.008 118.668 118.700 -0.041 0.000 2.396 556 N HA -0.077 4.662 4.740 -0.001 0.000 0.180 556 N C 1.353 176.806 175.510 -0.095 0.000 1.028 556 N CA 0.838 53.853 53.050 -0.058 0.000 0.893 556 N CB 0.011 38.478 38.487 -0.034 0.000 0.967 556 N HN 0.159 nan 8.380 nan 0.000 0.440 557 C N -2.052 117.174 119.300 -0.124 0.000 3.480 557 C HA 0.413 4.872 4.460 -0.001 0.000 0.480 557 C C 1.679 176.584 174.990 -0.142 0.000 1.410 557 C CA -0.364 58.575 59.018 -0.132 0.000 2.172 557 C CB -0.066 27.588 27.740 -0.143 0.000 3.162 557 C HN 0.247 nan 8.230 nan 0.000 0.635 558 L N 0.397 121.485 121.223 -0.224 0.000 2.920 558 L HA 0.266 4.606 4.340 -0.001 0.000 0.257 558 L C 0.595 177.231 176.870 -0.390 0.000 1.150 558 L CA 0.436 55.175 54.840 -0.168 0.000 0.959 558 L CB 0.395 42.457 42.059 0.005 0.000 1.321 558 L HN 0.251 nan 8.230 nan 0.000 0.555 559 E N 1.667 121.464 120.200 -0.673 0.000 2.217 559 E HA 0.010 4.359 4.350 -0.001 0.000 0.279 559 E C -0.194 176.154 176.600 -0.419 0.000 1.068 559 E CA 0.042 56.050 56.400 -0.653 0.000 0.882 559 E CB 0.173 29.560 29.700 -0.522 0.000 1.039 559 E HN 0.196 nan 8.360 nan 0.000 0.418 560 N N 3.912 122.309 118.700 -0.504 0.000 2.818 560 N HA -0.156 4.583 4.740 -0.001 0.000 0.250 560 N C -0.376 174.930 175.510 -0.340 0.000 1.108 560 N CA 0.521 53.336 53.050 -0.392 0.000 0.745 560 N CB -0.739 37.608 38.487 -0.233 0.000 1.104 560 N HN 0.612 nan 8.380 nan 0.000 0.557 561 Q N -0.757 118.800 119.800 -0.405 0.000 2.171 561 Q HA 0.276 4.615 4.340 -0.001 0.000 0.218 561 Q C -0.019 175.946 176.000 -0.059 0.000 0.822 561 Q CA 0.264 55.960 55.803 -0.179 0.000 0.987 561 Q CB 0.443 29.130 28.738 -0.086 0.000 1.144 561 Q HN 0.526 nan 8.270 nan 0.000 0.494 562 F N -2.365 117.541 119.950 -0.074 0.000 2.678 562 F HA 0.523 5.049 4.527 -0.001 0.000 0.308 562 F C -0.615 175.179 175.800 -0.010 0.000 1.118 562 F CA -1.407 56.552 58.000 -0.069 0.000 0.959 562 F CB 0.836 39.797 39.000 -0.065 0.000 1.305 562 F HN -0.310 nan 8.300 nan 0.000 0.443 563 E N 2.090 122.445 120.200 0.258 0.000 2.257 563 E HA 0.146 4.495 4.350 -0.001 0.000 0.278 563 E C 0.779 177.623 176.600 0.407 0.000 1.049 563 E CA -0.214 56.306 56.400 0.200 0.000 0.876 563 E CB 1.426 31.201 29.700 0.126 0.000 1.035 563 E HN 0.733 nan 8.360 nan 0.000 0.419 564 I N 3.943 124.684 120.570 0.284 0.000 2.248 564 I HA -0.338 3.831 4.170 -0.001 0.000 0.248 564 I C 2.479 178.770 176.117 0.289 0.000 1.107 564 I CA 1.819 63.327 61.300 0.346 0.000 1.373 564 I CB -0.509 37.595 38.000 0.172 0.000 1.055 564 I HN 0.655 nan 8.210 nan 0.000 0.418 565 T N 0.505 115.184 114.554 0.209 0.000 2.635 565 T HA -0.249 4.101 4.350 -0.001 0.000 0.267 565 T C 1.816 176.640 174.700 0.206 0.000 1.040 565 T CA 2.259 64.461 62.100 0.170 0.000 1.156 565 T CB -0.410 68.533 68.868 0.125 0.000 0.863 565 T HN 0.464 nan 8.240 nan 0.000 0.430 566 N N 1.247 120.101 118.700 0.256 0.000 2.364 566 N HA -0.040 4.699 4.740 -0.001 0.000 0.183 566 N C 1.771 177.490 175.510 0.348 0.000 1.022 566 N CA 0.724 53.958 53.050 0.306 0.000 0.883 566 N CB -0.580 38.106 38.487 0.333 0.000 0.965 566 N HN 0.365 nan 8.380 nan 0.000 0.438 567 L N 1.558 122.980 121.223 0.331 0.000 2.131 567 L HA -0.098 4.241 4.340 -0.001 0.000 0.210 567 L C 2.219 179.203 176.870 0.190 0.000 1.092 567 L CA 1.665 56.594 54.840 0.147 0.000 0.759 567 L CB -0.414 41.756 42.059 0.184 0.000 0.903 567 L HN -0.051 nan 8.230 nan 0.000 0.435 568 K N -0.098 120.425 120.400 0.206 0.000 2.062 568 K HA -0.069 4.250 4.320 -0.001 0.000 0.205 568 K C 1.907 178.632 176.600 0.208 0.000 1.051 568 K CA 1.643 58.060 56.287 0.216 0.000 0.941 568 K CB -0.310 32.288 32.500 0.163 0.000 0.719 568 K HN 0.400 nan 8.250 nan 0.000 0.440 569 I N 0.801 121.471 120.570 0.168 0.000 2.069 569 I HA -0.314 3.855 4.170 -0.001 0.000 0.237 569 I C 2.274 178.460 176.117 0.115 0.000 1.053 569 I CA 1.276 62.656 61.300 0.134 0.000 1.311 569 I CB -0.690 37.394 38.000 0.141 0.000 1.030 569 I HN 0.197 nan 8.210 nan 0.000 0.398 570 L N 0.712 121.998 121.223 0.106 0.000 1.997 570 L HA -0.288 4.051 4.340 -0.001 0.000 0.216 570 L C 2.408 179.296 176.870 0.029 0.000 1.074 570 L CA 1.944 56.804 54.840 0.034 0.000 0.763 570 L CB -0.903 41.065 42.059 -0.151 0.000 0.890 570 L HN 0.174 nan 8.230 nan 0.000 0.434 571 F N 0.889 120.821 119.950 -0.030 0.000 2.025 571 F HA -0.287 4.239 4.527 -0.001 0.000 0.297 571 F C 2.351 178.056 175.800 -0.157 0.000 1.132 571 F CA 2.348 60.211 58.000 -0.229 0.000 1.191 571 F CB -0.746 38.219 39.000 -0.058 0.000 0.963 571 F HN 0.283 nan 8.300 nan 0.000 0.481 572 D N 0.032 120.403 120.400 -0.049 0.000 2.092 572 D HA -0.217 4.423 4.640 -0.001 0.000 0.193 572 D C 2.211 178.420 176.300 -0.152 0.000 0.994 572 D CA 1.698 55.615 54.000 -0.138 0.000 0.828 572 D CB -0.683 40.133 40.800 0.026 0.000 0.963 572 D HN 0.501 nan 8.370 nan 0.000 0.450 573 E N 0.008 120.181 120.200 -0.045 0.000 2.085 573 E HA -0.176 4.173 4.350 -0.001 0.000 0.194 573 E C 2.114 178.778 176.600 0.107 0.000 0.994 573 E CA 0.377 56.791 56.400 0.023 0.000 0.801 573 E CB -0.064 29.692 29.700 0.094 0.000 0.743 573 E HN 0.028 nan 8.360 nan 0.000 0.453 574 L N 1.380 122.625 121.223 0.036 0.000 2.191 574 L HA -0.160 4.179 4.340 -0.001 0.000 0.212 574 L C 1.501 178.393 176.870 0.037 0.000 1.103 574 L CA 1.490 56.395 54.840 0.110 0.000 0.769 574 L CB -0.465 41.484 42.059 -0.184 0.000 0.908 574 L HN 0.068 nan 8.230 nan 0.000 0.438 575 N N -0.217 118.333 118.700 -0.251 0.000 2.013 575 N HA -0.183 4.557 4.740 -0.001 0.000 0.195 575 N C 1.393 176.792 175.510 -0.186 0.000 1.051 575 N CA 1.719 54.592 53.050 -0.296 0.000 0.851 575 N CB -0.549 37.707 38.487 -0.384 0.000 1.044 575 N HN 0.464 nan 8.380 nan 0.000 0.422 576 S N -0.269 115.267 115.700 -0.273 0.000 3.170 576 S HA 0.007 4.476 4.470 -0.001 0.000 0.252 576 S C -0.453 173.773 174.600 -0.624 0.000 1.047 576 S CA 0.202 58.167 58.200 -0.392 0.000 1.194 576 S CB -1.331 61.610 63.200 -0.430 0.000 0.916 576 S HN 0.115 nan 8.310 nan 0.000 0.506 577 F N 0.633 120.531 119.950 -0.086 0.000 2.561 577 F HA 0.334 4.860 4.527 -0.001 0.000 0.313 577 F C 0.228 175.972 175.800 -0.092 0.000 1.126 577 F CA -1.684 56.272 58.000 -0.074 0.000 0.918 577 F CB 1.627 40.604 39.000 -0.039 0.000 1.199 577 F HN 0.032 nan 8.300 nan 0.000 0.444 578 D N 4.363 124.829 120.400 0.111 0.000 2.982 578 D HA 0.109 4.748 4.640 -0.001 0.000 0.238 578 D C 1.753 178.064 176.300 0.019 0.000 1.168 578 D CA 0.456 54.482 54.000 0.043 0.000 0.947 578 D CB -0.266 40.549 40.800 0.026 0.000 1.147 578 D HN 0.552 nan 8.370 nan 0.000 0.450 579 I N 0.947 121.518 120.570 0.001 0.000 2.181 579 I HA -0.374 3.795 4.170 -0.001 0.000 0.240 579 I C -0.582 175.556 176.117 0.036 0.000 1.006 579 I CA 1.571 62.804 61.300 -0.112 0.000 1.284 579 I CB -1.659 36.299 38.000 -0.070 0.000 0.990 579 I HN 0.259 nan 8.210 nan 0.000 0.408 580 P HA -0.169 nan 4.420 nan 0.000 0.218 580 P C 1.789 179.206 177.300 0.195 0.000 1.152 580 P CA 1.517 64.835 63.100 0.363 0.000 0.857 580 P CB 0.027 31.814 31.700 0.145 0.000 0.787 581 V N -0.833 119.130 119.914 0.081 0.000 2.251 581 V HA -0.167 3.952 4.120 -0.001 0.000 0.237 581 V C 2.423 178.512 176.094 -0.008 0.000 1.040 581 V CA 1.517 63.844 62.300 0.045 0.000 1.005 581 V CB -1.362 30.477 31.823 0.027 0.000 0.645 581 V HN -0.115 nan 8.190 nan 0.000 0.458 582 V N 0.069 119.932 119.914 -0.085 0.000 2.311 582 V HA -0.369 3.751 4.120 -0.001 0.000 0.256 582 V C 2.337 178.308 176.094 -0.204 0.000 1.077 582 V CA 2.440 64.636 62.300 -0.175 0.000 1.067 582 V CB -0.706 30.895 31.823 -0.370 0.000 0.659 582 V HN 0.466 nan 8.190 nan 0.000 0.451 583 L N -0.256 120.825 121.223 -0.237 0.000 2.217 583 L HA -0.102 4.237 4.340 -0.001 0.000 0.211 583 L C 2.381 179.165 176.870 -0.144 0.000 1.107 583 L CA 1.155 55.884 54.840 -0.185 0.000 0.783 583 L CB -0.355 41.639 42.059 -0.108 0.000 0.919 583 L HN 0.416 nan 8.230 nan 0.000 0.442 584 N N -0.256 118.446 118.700 0.004 0.000 2.354 584 N HA -0.179 4.560 4.740 -0.001 0.000 0.179 584 N C 1.391 176.914 175.510 0.022 0.000 1.021 584 N CA 1.110 54.196 53.050 0.061 0.000 0.887 584 N CB 0.201 38.788 38.487 0.166 0.000 0.974 584 N HN 0.334 nan 8.380 nan 0.000 0.437 585 D N 0.313 120.725 120.400 0.019 0.000 2.137 585 D HA -0.091 4.548 4.640 -0.001 0.000 0.202 585 D C 2.103 178.433 176.300 0.049 0.000 0.970 585 D CA 0.371 54.398 54.000 0.046 0.000 0.837 585 D CB -0.120 40.718 40.800 0.062 0.000 0.981 585 D HN 0.125 nan 8.370 nan 0.000 0.475 586 L N 0.565 121.803 121.223 0.026 0.000 1.989 586 L HA -0.079 4.260 4.340 -0.001 0.000 0.211 586 L C 2.235 179.102 176.870 -0.004 0.000 1.071 586 L CA 1.694 56.562 54.840 0.048 0.000 0.749 586 L CB -0.493 41.584 42.059 0.030 0.000 0.890 586 L HN 0.144 nan 8.230 nan 0.000 0.431 587 I N -0.280 120.243 120.570 -0.078 0.000 2.546 587 I HA -0.161 4.008 4.170 -0.001 0.000 0.255 587 I C 1.129 177.224 176.117 -0.037 0.000 1.163 587 I CA 0.833 62.072 61.300 -0.102 0.000 1.457 587 I CB -0.395 37.469 38.000 -0.226 0.000 1.092 587 I HN 0.432 nan 8.210 nan 0.000 0.434 588 N N 0.054 118.751 118.700 -0.004 0.000 2.171 588 N HA 0.092 4.831 4.740 -0.001 0.000 0.212 588 N C 0.614 176.148 175.510 0.039 0.000 1.184 588 N CA 0.212 53.279 53.050 0.028 0.000 0.888 588 N CB 0.526 39.041 38.487 0.047 0.000 1.038 588 N HN 0.349 nan 8.380 nan 0.000 0.517 589 N N -0.262 118.465 118.700 0.044 0.000 2.113 589 N HA 0.088 4.827 4.740 -0.001 0.000 0.223 589 N C 0.974 176.518 175.510 0.057 0.000 1.310 589 N CA 0.203 53.284 53.050 0.052 0.000 0.896 589 N CB 1.140 39.666 38.487 0.064 0.000 1.097 589 N HN 0.024 nan 8.380 nan 0.000 0.507 590 Q N 0.067 119.904 119.800 0.062 0.000 2.581 590 Q HA 0.380 4.719 4.340 -0.001 0.000 0.222 590 Q C 1.823 177.839 176.000 0.026 0.000 0.904 590 Q CA 0.759 56.604 55.803 0.069 0.000 0.923 590 Q CB 0.519 29.346 28.738 0.148 0.000 1.117 590 Q HN 0.136 nan 8.270 nan 0.000 0.618 591 M N -0.346 119.234 119.600 -0.034 0.000 2.329 591 M HA 0.117 4.596 4.480 -0.001 0.000 0.244 591 M C 0.347 176.664 176.300 0.029 0.000 1.156 591 M CA 0.626 55.831 55.300 -0.159 0.000 1.192 591 M CB 0.018 32.465 32.600 -0.255 0.000 1.241 591 M HN -0.211 nan 8.290 nan 0.000 0.465 592 K N 2.946 123.391 120.400 0.075 0.000 2.351 592 K HA 0.121 4.441 4.320 -0.001 0.000 0.287 592 K C -2.235 174.420 176.600 0.092 0.000 1.068 592 K CA -1.218 55.156 56.287 0.143 0.000 0.998 592 K CB 0.143 32.700 32.500 0.094 0.000 0.968 592 K HN 0.053 nan 8.250 nan 0.000 0.464 593 P HA 0.028 nan 4.420 nan 0.000 0.274 593 P C 0.180 177.504 177.300 0.040 0.000 1.237 593 P CA -0.300 62.835 63.100 0.058 0.000 0.793 593 P CB 1.160 32.906 31.700 0.075 0.000 0.977 594 G N 1.050 109.851 108.800 0.002 0.000 2.832 594 G HA2 0.327 4.286 3.960 -0.001 0.000 0.187 594 G HA3 0.327 4.286 3.960 -0.001 0.000 0.187 594 G C -0.413 174.447 174.900 -0.067 0.000 1.817 594 G CA 0.006 45.093 45.100 -0.022 0.000 0.896 594 G HN 0.459 nan 8.290 nan 0.000 0.453 595 I N -0.737 119.738 120.570 -0.158 0.000 2.534 595 I HA 0.337 4.506 4.170 -0.001 0.000 0.288 595 I C -1.565 174.386 176.117 -0.277 0.000 1.077 595 I CA -0.412 60.719 61.300 -0.281 0.000 1.051 595 I CB 2.559 40.201 38.000 -0.597 0.000 1.234 595 I HN 0.119 nan 8.210 nan 0.000 0.425 596 F N 5.390 125.244 119.950 -0.160 0.000 2.375 596 F HA 0.222 4.749 4.527 -0.001 0.000 0.362 596 F C 0.311 176.102 175.800 -0.015 0.000 1.129 596 F CA -0.123 57.880 58.000 0.005 0.000 1.154 596 F CB 0.648 39.719 39.000 0.118 0.000 1.205 596 F HN 0.506 nan 8.300 nan 0.000 0.513 597 W N 6.373 127.829 121.300 0.260 0.000 2.979 597 W HA 0.051 4.710 4.660 -0.001 0.000 0.425 597 W C 0.551 177.228 176.519 0.265 0.000 0.884 597 W CA -0.131 57.338 57.345 0.206 0.000 2.044 597 W CB -0.584 28.945 29.460 0.115 0.000 0.872 597 W HN 0.502 nan 8.180 nan 0.000 0.759 598 K N 1.738 122.437 120.400 0.499 0.000 5.230 598 K HA -0.246 4.074 4.320 -0.001 0.000 0.331 598 K C -0.320 176.500 176.600 0.367 0.000 0.863 598 K CA 0.777 57.348 56.287 0.473 0.000 1.030 598 K CB -0.593 32.134 32.500 0.379 0.000 1.845 598 K HN 0.188 nan 8.250 nan 0.000 0.404 599 K N 3.626 124.185 120.400 0.265 0.000 2.206 599 K HA 0.066 4.385 4.320 -0.001 0.000 0.268 599 K C -0.561 175.790 176.600 -0.416 0.000 1.111 599 K CA -0.656 55.635 56.287 0.006 0.000 0.955 599 K CB 0.471 33.029 32.500 0.096 0.000 1.406 599 K HN 0.389 nan 8.250 nan 0.000 0.427 600 D N 1.867 122.200 120.400 -0.110 0.000 5.010 600 D HA -0.213 4.426 4.640 -0.001 0.000 0.147 600 D C 0.251 176.370 176.300 -0.302 0.000 1.020 600 D CA 1.259 55.231 54.000 -0.048 0.000 0.651 600 D CB 0.246 41.075 40.800 0.049 0.000 1.217 600 D HN 0.395 nan 8.370 nan 0.000 0.663 601 F N 2.133 121.967 119.950 -0.193 0.000 2.724 601 F HA 0.213 4.740 4.527 -0.001 0.000 0.306 601 F C 1.001 176.699 175.800 -0.170 0.000 1.100 601 F CA -0.492 57.351 58.000 -0.262 0.000 1.255 601 F CB 0.351 38.980 39.000 -0.617 0.000 1.072 601 F HN 0.169 nan 8.300 nan 0.000 0.589 602 I N 0.691 121.336 120.570 0.125 0.000 6.421 602 I HA -0.224 3.946 4.170 -0.001 0.000 0.126 602 I C 0.524 176.755 176.117 0.190 0.000 1.825 602 I CA -0.363 61.031 61.300 0.156 0.000 2.037 602 I CB -1.938 36.144 38.000 0.137 0.000 3.486 602 I HN 0.125 nan 8.210 nan 0.000 0.169 603 S N 3.712 119.652 115.700 0.399 0.000 3.106 603 S HA 0.194 4.663 4.470 -0.001 0.000 0.363 603 S C 1.077 175.859 174.600 0.303 0.000 1.191 603 S CA 0.418 58.966 58.200 0.579 0.000 1.191 603 S CB -0.009 63.456 63.200 0.443 0.000 0.884 603 S HN 0.848 nan 8.310 nan 0.000 0.526 604 A N 6.025 129.006 122.820 0.268 0.000 2.444 604 A HA 0.339 4.659 4.320 -0.001 0.000 0.273 604 A C 1.402 179.100 177.584 0.191 0.000 1.136 604 A CA -0.394 51.749 52.037 0.177 0.000 0.799 604 A CB -0.229 18.848 19.000 0.128 0.000 1.081 604 A HN 0.997 nan 8.150 nan 0.000 0.509 605 I N 1.342 121.932 120.570 0.032 0.000 2.094 605 I HA -0.023 4.146 4.170 -0.001 0.000 0.234 605 I C 1.088 177.007 176.117 -0.331 0.000 1.063 605 I CA 1.018 62.214 61.300 -0.173 0.000 1.328 605 I CB -0.319 37.602 38.000 -0.132 0.000 1.058 605 I HN 0.528 nan 8.210 nan 0.000 0.400 606 K N 1.174 121.497 120.400 -0.130 0.000 2.174 606 K HA 0.136 4.456 4.320 -0.001 0.000 0.275 606 K C -0.531 176.147 176.600 0.130 0.000 1.015 606 K CA -0.830 55.426 56.287 -0.051 0.000 0.933 606 K CB 0.825 33.313 32.500 -0.020 0.000 1.025 606 K HN 0.165 nan 8.250 nan 0.000 0.463 607 F N 4.315 124.318 119.950 0.088 0.000 2.539 607 F HA -0.048 4.479 4.527 -0.001 0.000 0.393 607 F C -0.069 175.829 175.800 0.163 0.000 1.032 607 F CA 0.224 58.337 58.000 0.188 0.000 1.120 607 F CB 0.045 39.174 39.000 0.215 0.000 1.014 607 F HN 0.471 nan 8.300 nan 0.000 0.546 608 D N 5.141 125.345 120.400 -0.327 0.000 2.412 608 D HA 0.219 4.858 4.640 -0.001 0.000 0.224 608 D C 1.092 177.029 176.300 -0.605 0.000 1.093 608 D CA 0.171 53.957 54.000 -0.357 0.000 0.850 608 D CB 1.439 42.160 40.800 -0.131 0.000 1.046 608 D HN 0.778 nan 8.370 nan 0.000 0.507 609 G N 3.254 111.634 108.800 -0.701 0.000 2.443 609 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.219 609 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.219 609 G C 1.164 175.976 174.900 -0.145 0.000 1.131 609 G CA 0.160 44.989 45.100 -0.452 0.000 0.775 609 G HN 0.497 nan 8.290 nan 0.000 0.547 610 F N 2.986 122.795 119.950 -0.236 0.000 1.990 610 F HA -0.144 4.382 4.527 -0.001 0.000 0.294 610 F C 3.073 178.760 175.800 -0.189 0.000 1.177 610 F CA 2.532 60.397 58.000 -0.224 0.000 1.167 610 F CB -1.016 37.814 39.000 -0.283 0.000 0.971 610 F HN 0.200 nan 8.300 nan 0.000 0.483 611 T N -1.855 112.500 114.554 -0.331 0.000 2.792 611 T HA -0.327 4.023 4.350 -0.001 0.000 0.268 611 T C 2.245 176.891 174.700 -0.090 0.000 1.059 611 T CA 1.723 63.622 62.100 -0.334 0.000 1.136 611 T CB -1.385 67.195 68.868 -0.479 0.000 0.846 611 T HN 0.403 nan 8.240 nan 0.000 0.489 612 S N 1.693 117.351 115.700 -0.069 0.000 2.348 612 S HA -0.088 4.382 4.470 -0.001 0.000 0.221 612 S C 2.087 176.746 174.600 0.098 0.000 1.033 612 S CA 1.400 59.663 58.200 0.105 0.000 1.010 612 S CB -0.626 62.713 63.200 0.231 0.000 0.891 612 S HN 0.760 nan 8.310 nan 0.000 0.442 613 I N -1.003 119.538 120.570 -0.049 0.000 2.617 613 I HA 0.011 4.181 4.170 -0.001 0.000 0.256 613 I C 1.726 177.750 176.117 -0.155 0.000 1.167 613 I CA 0.979 62.236 61.300 -0.071 0.000 1.469 613 I CB -0.418 37.379 38.000 -0.339 0.000 1.098 613 I HN 0.214 nan 8.210 nan 0.000 0.436 614 I N 1.719 122.114 120.570 -0.292 0.000 2.423 614 I HA -0.198 3.971 4.170 -0.001 0.000 0.254 614 I C 2.531 178.546 176.117 -0.171 0.000 1.151 614 I CA 1.105 62.232 61.300 -0.288 0.000 1.421 614 I CB -1.214 36.532 38.000 -0.422 0.000 1.079 614 I HN 0.330 nan 8.210 nan 0.000 0.431 615 S N 0.765 116.411 115.700 -0.090 0.000 2.317 615 S HA -0.089 4.380 4.470 -0.001 0.000 0.212 615 S C 1.937 176.426 174.600 -0.185 0.000 1.030 615 S CA 0.572 58.689 58.200 -0.138 0.000 0.970 615 S CB -0.538 62.643 63.200 -0.031 0.000 0.928 615 S HN 0.280 nan 8.310 nan 0.000 0.451 616 L N 2.476 123.628 121.223 -0.119 0.000 2.051 616 L HA -0.162 4.178 4.340 -0.001 0.000 0.214 616 L C 2.211 178.940 176.870 -0.234 0.000 1.076 616 L CA 1.853 56.600 54.840 -0.154 0.000 0.758 616 L CB -0.811 41.228 42.059 -0.034 0.000 0.890 616 L HN 0.167 nan 8.230 nan 0.000 0.433 617 E N -0.661 119.435 120.200 -0.173 0.000 2.051 617 E HA -0.139 4.211 4.350 -0.001 0.000 0.192 617 E C 2.281 178.783 176.600 -0.164 0.000 0.991 617 E CA 1.493 57.788 56.400 -0.175 0.000 0.799 617 E CB -0.378 29.256 29.700 -0.110 0.000 0.748 617 E HN 0.519 nan 8.360 nan 0.000 0.449 618 S N 1.176 116.769 115.700 -0.178 0.000 2.383 618 S HA -0.131 4.339 4.470 -0.001 0.000 0.227 618 S C 1.907 176.361 174.600 -0.244 0.000 1.026 618 S CA 0.656 58.742 58.200 -0.191 0.000 0.981 618 S CB -0.232 62.849 63.200 -0.199 0.000 0.818 618 S HN 0.126 nan 8.310 nan 0.000 0.472 619 L N 2.353 123.413 121.223 -0.272 0.000 1.970 619 L HA -0.167 4.173 4.340 -0.001 0.000 0.212 619 L C 2.250 178.928 176.870 -0.319 0.000 1.071 619 L CA 2.106 56.762 54.840 -0.306 0.000 0.751 619 L CB -1.127 40.749 42.059 -0.304 0.000 0.889 619 L HN 0.447 nan 8.230 nan 0.000 0.432 620 H N -0.345 118.455 119.070 -0.450 0.000 2.265 620 H HA -0.303 4.252 4.556 -0.001 0.000 0.293 620 H C 2.163 177.267 175.328 -0.373 0.000 1.089 620 H CA 2.465 58.208 56.048 -0.509 0.000 1.244 620 H CB -0.200 29.053 29.762 -0.847 0.000 1.355 620 H HN 0.627 nan 8.280 nan 0.000 0.485 621 Q N 0.024 119.575 119.800 -0.415 0.000 2.173 621 Q HA -0.188 4.152 4.340 -0.001 0.000 0.208 621 Q C 2.500 178.217 176.000 -0.472 0.000 0.989 621 Q CA 1.948 57.505 55.803 -0.411 0.000 0.872 621 Q CB -0.075 28.558 28.738 -0.175 0.000 0.909 621 Q HN 0.450 nan 8.270 nan 0.000 0.420 622 L N 0.011 120.967 121.223 -0.444 0.000 2.007 622 L HA -0.091 4.249 4.340 -0.001 0.000 0.205 622 L C 2.111 178.579 176.870 -0.669 0.000 1.073 622 L CA 1.458 55.977 54.840 -0.535 0.000 0.744 622 L CB -0.535 41.213 42.059 -0.518 0.000 0.898 622 L HN 0.288 nan 8.230 nan 0.000 0.435 623 L N -0.657 120.231 121.223 -0.558 0.000 2.129 623 L HA -0.250 4.089 4.340 -0.001 0.000 0.212 623 L C 2.472 179.211 176.870 -0.220 0.000 1.087 623 L CA 1.522 56.157 54.840 -0.341 0.000 0.757 623 L CB -0.781 41.143 42.059 -0.224 0.000 0.896 623 L HN 0.253 nan 8.230 nan 0.000 0.434 624 S N -0.132 115.332 115.700 -0.394 0.000 2.353 624 S HA -0.150 4.319 4.470 -0.001 0.000 0.222 624 S C 1.960 176.410 174.600 -0.249 0.000 1.035 624 S CA 1.513 59.513 58.200 -0.334 0.000 1.025 624 S CB -0.354 62.494 63.200 -0.586 0.000 0.902 624 S HN 0.346 nan 8.310 nan 0.000 0.440 625 I N 0.769 121.068 120.570 -0.452 0.000 2.394 625 I HA -0.198 3.971 4.170 -0.001 0.000 0.251 625 I C 2.340 178.437 176.117 -0.035 0.000 1.136 625 I CA 1.284 62.326 61.300 -0.431 0.000 1.425 625 I CB -0.544 37.091 38.000 -0.608 0.000 1.079 625 I HN 0.404 nan 8.210 nan 0.000 0.425 626 H N -0.624 118.407 119.070 -0.065 0.000 2.270 626 H HA -0.251 4.304 4.556 -0.001 0.000 0.299 626 H C 2.261 177.638 175.328 0.082 0.000 1.077 626 H CA 1.780 57.859 56.048 0.052 0.000 1.294 626 H CB -0.198 29.649 29.762 0.141 0.000 1.371 626 H HN 0.216 nan 8.280 nan 0.000 0.491 627 Y N 2.132 122.492 120.300 0.100 0.000 2.096 627 Y HA -0.357 4.192 4.550 -0.001 0.000 0.278 627 Y C 2.769 178.689 175.900 0.034 0.000 1.192 627 Y CA 2.054 60.166 58.100 0.021 0.000 1.143 627 Y CB -0.428 38.005 38.460 -0.045 0.000 0.963 627 Y HN 0.016 nan 8.280 nan 0.000 0.505 628 R N 0.305 120.765 120.500 -0.066 0.000 2.080 628 R HA -0.192 4.148 4.340 -0.001 0.000 0.236 628 R C 2.346 178.601 176.300 -0.075 0.000 1.137 628 R CA 2.441 58.467 56.100 -0.122 0.000 0.943 628 R CB -0.643 29.676 30.300 0.031 0.000 0.846 628 R HN 0.525 nan 8.270 nan 0.000 0.431 629 I N 0.643 121.219 120.570 0.011 0.000 2.127 629 I HA -0.299 3.870 4.170 -0.001 0.000 0.241 629 I C 2.274 178.386 176.117 -0.007 0.000 1.075 629 I CA 1.977 63.289 61.300 0.019 0.000 1.334 629 I CB -0.780 37.268 38.000 0.080 0.000 1.040 629 I HN 0.333 nan 8.210 nan 0.000 0.405 630 T N 1.587 116.144 114.554 0.006 0.000 2.597 630 T HA -0.276 4.073 4.350 -0.001 0.000 0.267 630 T C 1.914 176.611 174.700 -0.005 0.000 1.053 630 T CA 1.848 63.946 62.100 -0.003 0.000 1.165 630 T CB -0.665 68.234 68.868 0.051 0.000 0.863 630 T HN 0.195 nan 8.240 nan 0.000 0.427 631 L N 0.940 122.150 121.223 -0.021 0.000 2.013 631 L HA -0.209 4.131 4.340 -0.001 0.000 0.212 631 L C 2.731 179.652 176.870 0.086 0.000 1.073 631 L CA 1.836 56.717 54.840 0.068 0.000 0.753 631 L CB -0.560 41.403 42.059 -0.160 0.000 0.890 631 L HN 0.323 nan 8.230 nan 0.000 0.432 632 Q N -1.564 118.242 119.800 0.010 0.000 2.084 632 Q HA -0.197 4.143 4.340 -0.001 0.000 0.202 632 Q C 2.207 178.226 176.000 0.032 0.000 0.978 632 Q CA 1.752 57.569 55.803 0.023 0.000 0.844 632 Q CB -0.330 28.388 28.738 -0.033 0.000 0.898 632 Q HN 0.448 nan 8.270 nan 0.000 0.426 633 V N 1.273 121.186 119.914 -0.002 0.000 2.214 633 V HA -0.317 3.803 4.120 -0.001 0.000 0.247 633 V C 2.278 178.419 176.094 0.079 0.000 1.051 633 V CA 1.958 64.281 62.300 0.039 0.000 1.003 633 V CB -0.664 31.162 31.823 0.004 0.000 0.635 633 V HN 0.298 nan 8.190 nan 0.000 0.447 634 L N -0.760 120.388 121.223 -0.124 0.000 2.064 634 L HA -0.264 4.075 4.340 -0.001 0.000 0.216 634 L C 2.356 179.335 176.870 0.181 0.000 1.077 634 L CA 1.762 56.452 54.840 -0.250 0.000 0.766 634 L CB -0.939 40.674 42.059 -0.743 0.000 0.890 634 L HN 0.352 nan 8.230 nan 0.000 0.435 635 L N -0.388 121.000 121.223 0.274 0.000 2.189 635 L HA -0.233 4.106 4.340 -0.001 0.000 0.214 635 L C 2.608 179.635 176.870 0.261 0.000 1.097 635 L CA 2.431 57.449 54.840 0.296 0.000 0.764 635 L CB -0.809 41.379 42.059 0.216 0.000 0.900 635 L HN 0.588 nan 8.230 nan 0.000 0.436 636 T N -4.855 109.886 114.554 0.312 0.000 3.014 636 T HA -0.086 4.263 4.350 -0.001 0.000 0.263 636 T C 1.620 176.570 174.700 0.418 0.000 1.078 636 T CA 0.573 62.872 62.100 0.331 0.000 1.135 636 T CB -0.721 68.336 68.868 0.314 0.000 0.895 636 T HN 0.189 nan 8.240 nan 0.000 0.480 637 F N 2.155 122.239 119.950 0.225 0.000 2.546 637 F HA 0.164 4.690 4.527 -0.001 0.000 0.298 637 F C 2.401 178.494 175.800 0.487 0.000 1.120 637 F CA 0.140 58.332 58.000 0.320 0.000 1.456 637 F CB -0.354 38.899 39.000 0.422 0.000 1.088 637 F HN 0.264 nan 8.300 nan 0.000 0.572 638 V N -2.832 117.404 119.914 0.536 0.000 3.085 638 V HA 0.122 4.241 4.120 -0.001 0.000 0.245 638 V C 1.518 177.725 176.094 0.187 0.000 1.114 638 V CA 0.732 63.288 62.300 0.426 0.000 1.108 638 V CB -0.335 31.664 31.823 0.293 0.000 0.798 638 V HN 0.213 nan 8.190 nan 0.000 0.471 639 L N -0.089 121.154 121.223 0.034 0.000 2.612 639 L HA 0.411 4.751 4.340 -0.001 0.000 0.230 639 L C -0.454 175.936 176.870 -0.800 0.000 1.140 639 L CA 0.414 55.047 54.840 -0.344 0.000 0.896 639 L CB -0.047 41.654 42.059 -0.597 0.000 1.065 639 L HN 0.313 nan 8.230 nan 0.000 0.447 640 F N -1.500 118.467 119.950 0.028 0.000 2.635 640 F HA 0.175 4.702 4.527 -0.001 0.000 0.314 640 F C -0.021 175.773 175.800 -0.009 0.000 1.119 640 F CA -1.660 56.341 58.000 0.001 0.000 1.000 640 F CB 1.099 40.123 39.000 0.041 0.000 1.278 640 F HN -0.213 nan 8.300 nan 0.000 0.446 641 D N 4.787 125.290 120.400 0.172 0.000 2.344 641 D HA 0.339 4.978 4.640 -0.001 0.000 0.253 641 D C -0.894 175.460 176.300 0.091 0.000 1.255 641 D CA 0.391 54.441 54.000 0.083 0.000 0.894 641 D CB 0.463 41.284 40.800 0.034 0.000 1.067 641 D HN 0.465 nan 8.370 nan 0.000 0.492 642 L N 2.335 123.591 121.223 0.055 0.000 2.323 642 L HA 0.239 4.578 4.340 -0.001 0.000 0.265 642 L C 0.434 177.335 176.870 0.051 0.000 1.012 642 L CA -1.138 53.740 54.840 0.063 0.000 0.820 642 L CB 1.895 43.941 42.059 -0.021 0.000 1.334 642 L HN 0.257 nan 8.230 nan 0.000 0.427 643 D N 0.953 121.389 120.400 0.061 0.000 2.356 643 D HA -0.068 4.571 4.640 -0.001 0.000 0.272 643 D C 1.077 177.382 176.300 0.009 0.000 1.337 643 D CA 0.357 54.351 54.000 -0.010 0.000 0.970 643 D CB 1.069 41.815 40.800 -0.090 0.000 1.092 643 D HN 0.559 nan 8.370 nan 0.000 0.516 644 T N 2.200 116.742 114.554 -0.020 0.000 3.139 644 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 644 T C 1.202 175.885 174.700 -0.028 0.000 1.164 644 T CA 1.098 63.176 62.100 -0.037 0.000 1.075 644 T CB 0.050 68.850 68.868 -0.114 0.000 0.904 644 T HN 0.503 nan 8.240 nan 0.000 0.540 645 E N -0.812 119.360 120.200 -0.046 0.000 2.413 645 E HA 0.131 4.480 4.350 -0.001 0.000 0.203 645 E C 1.703 178.244 176.600 -0.099 0.000 0.957 645 E CA -0.005 56.358 56.400 -0.062 0.000 0.950 645 E CB 0.223 29.884 29.700 -0.065 0.000 0.957 645 E HN 0.561 nan 8.360 nan 0.000 0.497 646 I N 0.126 120.601 120.570 -0.158 0.000 2.315 646 I HA -0.142 4.027 4.170 -0.001 0.000 0.233 646 I C 1.609 177.551 176.117 -0.291 0.000 1.067 646 I CA 0.761 61.875 61.300 -0.310 0.000 1.376 646 I CB -0.277 37.382 38.000 -0.569 0.000 1.143 646 I HN 0.045 nan 8.210 nan 0.000 0.421 647 F N 1.443 121.360 119.950 -0.054 0.000 2.604 647 F HA 0.024 4.551 4.527 -0.001 0.000 0.298 647 F C 2.413 178.257 175.800 0.073 0.000 1.131 647 F CA 0.707 58.721 58.000 0.023 0.000 1.457 647 F CB -1.403 37.692 39.000 0.158 0.000 1.095 647 F HN 0.053 nan 8.300 nan 0.000 0.574 648 G N -0.114 108.783 108.800 0.161 0.000 2.562 648 G HA2 -0.390 3.570 3.960 -0.001 0.000 0.223 648 G HA3 -0.390 3.570 3.960 -0.001 0.000 0.223 648 G C 1.594 176.530 174.900 0.059 0.000 1.102 648 G CA 1.211 46.366 45.100 0.092 0.000 0.742 648 G HN 0.339 nan 8.290 nan 0.000 0.587 649 Q N 0.483 120.280 119.800 -0.004 0.000 2.030 649 Q HA -0.159 4.180 4.340 -0.001 0.000 0.204 649 Q C 2.292 178.336 176.000 0.073 0.000 0.986 649 Q CA 1.903 57.690 55.803 -0.027 0.000 0.843 649 Q CB -0.704 27.951 28.738 -0.138 0.000 0.904 649 Q HN 0.594 nan 8.270 nan 0.000 0.420 650 H N 0.382 119.521 119.070 0.115 0.000 2.253 650 H HA -0.099 4.456 4.556 -0.001 0.000 0.296 650 H C 2.274 177.595 175.328 -0.012 0.000 1.067 650 H CA 1.653 57.748 56.048 0.078 0.000 1.245 650 H CB -0.888 28.975 29.762 0.167 0.000 1.364 650 H HN 0.290 nan 8.280 nan 0.000 0.494 651 I N 0.607 121.255 120.570 0.130 0.000 2.345 651 I HA -0.425 3.745 4.170 -0.001 0.000 0.228 651 I C 2.391 178.482 176.117 -0.043 0.000 0.960 651 I CA 2.057 63.316 61.300 -0.069 0.000 1.262 651 I CB -0.693 37.322 38.000 0.026 0.000 0.969 651 I HN 0.136 nan 8.210 nan 0.000 0.385 652 S N -0.381 115.324 115.700 0.008 0.000 2.461 652 S HA -0.205 4.264 4.470 -0.001 0.000 0.246 652 S C 1.808 176.400 174.600 -0.014 0.000 1.007 652 S CA 1.867 60.065 58.200 -0.003 0.000 0.976 652 S CB -0.419 62.785 63.200 0.008 0.000 0.763 652 S HN 0.533 nan 8.310 nan 0.000 0.508 653 T N 1.836 116.389 114.554 -0.003 0.000 2.901 653 T HA 0.218 4.567 4.350 -0.001 0.000 0.252 653 T C 1.760 176.418 174.700 -0.070 0.000 1.035 653 T CA 0.376 62.466 62.100 -0.017 0.000 1.142 653 T CB -0.225 68.658 68.868 0.026 0.000 0.869 653 T HN 0.218 nan 8.240 nan 0.000 0.442 654 L N 0.985 122.147 121.223 -0.102 0.000 1.990 654 L HA -0.143 4.196 4.340 -0.001 0.000 0.213 654 L C 2.495 179.290 176.870 -0.124 0.000 1.072 654 L CA 1.444 56.188 54.840 -0.159 0.000 0.755 654 L CB -0.742 41.150 42.059 -0.278 0.000 0.889 654 L HN 0.262 nan 8.230 nan 0.000 0.432 655 L N -0.591 120.545 121.223 -0.146 0.000 1.990 655 L HA -0.306 4.033 4.340 -0.001 0.000 0.213 655 L C 2.507 179.392 176.870 0.025 0.000 1.072 655 L CA 1.777 56.552 54.840 -0.110 0.000 0.755 655 L CB -0.915 41.076 42.059 -0.114 0.000 0.889 655 L HN 0.463 nan 8.230 nan 0.000 0.432 656 D N 0.537 120.933 120.400 -0.006 0.000 2.126 656 D HA -0.228 4.411 4.640 -0.001 0.000 0.190 656 D C 2.287 178.614 176.300 0.045 0.000 1.001 656 D CA 1.666 55.682 54.000 0.027 0.000 0.841 656 D CB 0.080 40.870 40.800 -0.017 0.000 0.949 656 D HN 0.280 nan 8.370 nan 0.000 0.446 657 L N 0.329 121.503 121.223 -0.081 0.000 1.961 657 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 657 L C 2.824 179.699 176.870 0.008 0.000 1.072 657 L CA 1.588 56.287 54.840 -0.234 0.000 0.749 657 L CB -1.225 40.605 42.059 -0.383 0.000 0.889 657 L HN 0.331 nan 8.230 nan 0.000 0.432 658 H N -0.127 118.945 119.070 0.002 0.000 2.272 658 H HA -0.358 4.197 4.556 -0.001 0.000 0.289 658 H C 2.227 177.689 175.328 0.223 0.000 1.100 658 H CA 2.824 58.967 56.048 0.159 0.000 1.209 658 H CB -0.801 29.023 29.762 0.103 0.000 1.348 658 H HN 0.411 nan 8.280 nan 0.000 0.481 659 Y N 1.615 122.145 120.300 0.383 0.000 2.241 659 Y HA -0.200 4.349 4.550 -0.001 0.000 0.286 659 Y C 2.621 178.633 175.900 0.186 0.000 1.166 659 Y CA 2.189 60.455 58.100 0.276 0.000 1.203 659 Y CB -0.070 38.477 38.460 0.144 0.000 0.977 659 Y HN 0.187 nan 8.280 nan 0.000 0.529 660 K N -0.258 120.247 120.400 0.174 0.000 2.044 660 K HA -0.155 4.164 4.320 -0.001 0.000 0.204 660 K C 2.109 178.741 176.600 0.053 0.000 1.049 660 K CA 1.566 57.906 56.287 0.088 0.000 0.945 660 K CB -0.197 32.389 32.500 0.143 0.000 0.724 660 K HN 0.434 nan 8.250 nan 0.000 0.440 661 Q N 0.370 120.231 119.800 0.102 0.000 2.014 661 Q HA -0.225 4.114 4.340 -0.001 0.000 0.207 661 Q C 1.996 177.920 176.000 -0.127 0.000 0.993 661 Q CA 2.102 57.955 55.803 0.083 0.000 0.850 661 Q CB -0.428 28.409 28.738 0.165 0.000 0.916 661 Q HN 0.241 nan 8.270 nan 0.000 0.417 662 F N 1.019 120.734 119.950 -0.392 0.000 2.063 662 F HA -0.309 4.217 4.527 -0.001 0.000 0.298 662 F C 1.981 177.578 175.800 -0.338 0.000 1.109 662 F CA 1.414 59.099 58.000 -0.525 0.000 1.212 662 F CB -0.252 38.499 39.000 -0.414 0.000 0.973 662 F HN 0.025 nan 8.300 nan 0.000 0.480 663 L N -0.278 120.921 121.223 -0.040 0.000 2.043 663 L HA -0.228 4.112 4.340 -0.001 0.000 0.212 663 L C 2.284 179.071 176.870 -0.139 0.000 1.075 663 L CA 1.617 56.393 54.840 -0.107 0.000 0.752 663 L CB -0.786 41.163 42.059 -0.183 0.000 0.891 663 L HN 0.372 nan 8.230 nan 0.000 0.432 664 L N -1.352 119.799 121.223 -0.120 0.000 2.027 664 L HA -0.194 4.146 4.340 -0.001 0.000 0.206 664 L C 2.270 179.064 176.870 -0.126 0.000 1.074 664 L CA 1.589 56.370 54.840 -0.099 0.000 0.745 664 L CB -0.352 41.664 42.059 -0.073 0.000 0.898 664 L HN 0.157 nan 8.230 nan 0.000 0.433 665 L N -0.314 120.781 121.223 -0.212 0.000 1.956 665 L HA -0.309 4.031 4.340 -0.001 0.000 0.216 665 L C 2.354 179.085 176.870 -0.233 0.000 1.073 665 L CA 2.021 56.738 54.840 -0.205 0.000 0.762 665 L CB -1.015 40.785 42.059 -0.432 0.000 0.889 665 L HN 0.355 nan 8.230 nan 0.000 0.433 666 N N -0.136 118.297 118.700 -0.446 0.000 2.060 666 N HA -0.213 4.526 4.740 -0.001 0.000 0.195 666 N C 1.846 177.237 175.510 -0.198 0.000 1.028 666 N CA 1.273 54.105 53.050 -0.364 0.000 0.861 666 N CB -0.308 37.952 38.487 -0.379 0.000 1.029 666 N HN 0.217 nan 8.380 nan 0.000 0.428 667 L N -0.808 120.328 121.223 -0.145 0.000 2.083 667 L HA -0.215 4.125 4.340 -0.001 0.000 0.209 667 L C 2.056 178.883 176.870 -0.071 0.000 1.083 667 L CA 1.114 55.897 54.840 -0.096 0.000 0.752 667 L CB -0.645 41.369 42.059 -0.074 0.000 0.899 667 L HN 0.326 nan 8.230 nan 0.000 0.433 668 Y N 1.636 121.819 120.300 -0.196 0.000 2.151 668 Y HA -0.296 4.254 4.550 -0.001 0.000 0.284 668 Y C 2.665 178.428 175.900 -0.228 0.000 1.166 668 Y CA 1.620 59.593 58.100 -0.212 0.000 1.163 668 Y CB -0.384 37.943 38.460 -0.222 0.000 0.974 668 Y HN 0.079 nan 8.280 nan 0.000 0.511 669 R N -0.622 119.645 120.500 -0.389 0.000 2.052 669 R HA -0.135 4.205 4.340 -0.001 0.000 0.226 669 R C 2.258 178.370 176.300 -0.313 0.000 1.145 669 R CA 1.207 57.029 56.100 -0.463 0.000 0.952 669 R CB -0.624 29.468 30.300 -0.345 0.000 0.847 669 R HN 0.219 nan 8.270 nan 0.000 0.431 670 Q N 0.894 120.565 119.800 -0.215 0.000 2.028 670 Q HA -0.184 4.156 4.340 -0.001 0.000 0.213 670 Q C 0.097 175.992 176.000 -0.175 0.000 1.017 670 Q CA 1.843 57.549 55.803 -0.162 0.000 0.875 670 Q CB -0.037 28.631 28.738 -0.117 0.000 0.962 670 Q HN 0.151 nan 8.270 nan 0.000 0.413 671 D N -2.169 118.122 120.400 -0.181 0.000 2.337 671 D HA 0.113 4.752 4.640 -0.001 0.000 0.238 671 D C -0.313 175.860 176.300 -0.213 0.000 1.331 671 D CA -0.089 53.797 54.000 -0.191 0.000 0.967 671 D CB 0.460 41.160 40.800 -0.167 0.000 1.382 671 D HN 0.051 nan 8.370 nan 0.000 0.549 672 K N 0.877 121.138 120.400 -0.230 0.000 2.044 672 K HA -0.155 4.164 4.320 -0.001 0.000 0.210 672 K C 2.019 178.314 176.600 -0.507 0.000 1.049 672 K CA 1.729 57.882 56.287 -0.223 0.000 0.927 672 K CB -0.245 32.204 32.500 -0.085 0.000 0.713 672 K HN 0.498 nan 8.250 nan 0.000 0.443 673 C N 1.157 120.085 119.300 -0.619 0.000 2.413 673 C HA -0.123 4.336 4.460 -0.001 0.000 0.276 673 C C 2.482 177.148 174.990 -0.539 0.000 1.236 673 C CA 0.609 59.105 59.018 -0.869 0.000 1.735 673 C CB -0.900 26.510 27.740 -0.550 0.000 2.031 673 C HN 0.445 nan 8.230 nan 0.000 0.474 674 L N 0.717 121.732 121.223 -0.347 0.000 1.955 674 L HA -0.057 4.282 4.340 -0.001 0.000 0.213 674 L C 2.408 179.144 176.870 -0.223 0.000 1.072 674 L CA 2.281 56.975 54.840 -0.244 0.000 0.755 674 L CB -1.054 40.891 42.059 -0.190 0.000 0.888 674 L HN 0.457 nan 8.230 nan 0.000 0.432 675 L N -0.295 120.804 121.223 -0.206 0.000 2.137 675 L HA -0.234 4.105 4.340 -0.001 0.000 0.213 675 L C 2.371 179.138 176.870 -0.172 0.000 1.085 675 L CA 2.188 56.934 54.840 -0.157 0.000 0.760 675 L CB -1.002 40.991 42.059 -0.110 0.000 0.893 675 L HN 0.322 nan 8.230 nan 0.000 0.434 676 A N -0.944 121.723 122.820 -0.255 0.000 1.898 676 A HA -0.124 4.196 4.320 -0.001 0.000 0.216 676 A C 2.086 179.588 177.584 -0.137 0.000 1.181 676 A CA 1.427 53.337 52.037 -0.211 0.000 0.620 676 A CB -0.484 18.299 19.000 -0.361 0.000 0.819 676 A HN 0.562 nan 8.150 nan 0.000 0.442 677 E N 0.230 120.327 120.200 -0.172 0.000 2.106 677 E HA -0.130 4.219 4.350 -0.001 0.000 0.192 677 E C 2.091 178.626 176.600 -0.109 0.000 0.984 677 E CA 1.642 57.962 56.400 -0.133 0.000 0.806 677 E CB -0.870 28.733 29.700 -0.161 0.000 0.750 677 E HN 0.670 nan 8.360 nan 0.000 0.458 678 V N -1.325 118.523 119.914 -0.111 0.000 3.510 678 V HA -0.008 4.112 4.120 -0.001 0.000 0.270 678 V C 1.575 177.625 176.094 -0.074 0.000 1.201 678 V CA 0.851 63.098 62.300 -0.089 0.000 1.166 678 V CB -0.257 31.516 31.823 -0.084 0.000 0.825 678 V HN 0.002 nan 8.190 nan 0.000 0.484 679 L N -0.804 120.375 121.223 -0.074 0.000 2.858 679 L HA 0.529 4.868 4.340 -0.001 0.000 0.251 679 L C 1.137 177.997 176.870 -0.018 0.000 1.149 679 L CA 0.789 55.591 54.840 -0.063 0.000 0.955 679 L CB 0.771 42.774 42.059 -0.094 0.000 1.289 679 L HN 0.293 nan 8.230 nan 0.000 0.542 680 L N -1.150 120.072 121.223 -0.003 0.000 3.202 680 L HA 0.295 4.635 4.340 -0.001 0.000 0.278 680 L C 1.174 178.033 176.870 -0.019 0.000 1.268 680 L CA 0.328 55.202 54.840 0.057 0.000 1.034 680 L CB 0.155 42.287 42.059 0.121 0.000 1.407 680 L HN 0.067 nan 8.230 nan 0.000 0.581 681 K N -1.736 118.627 120.400 -0.061 0.000 2.590 681 K HA 0.048 4.368 4.320 -0.001 0.000 0.218 681 K C 1.077 177.623 176.600 -0.090 0.000 1.536 681 K CA 0.227 56.438 56.287 -0.127 0.000 1.013 681 K CB 0.619 33.029 32.500 -0.151 0.000 1.265 681 K HN 0.003 nan 8.250 nan 0.000 0.603 682 D N 1.216 121.585 120.400 -0.052 0.000 2.178 682 D HA -0.067 4.572 4.640 -0.001 0.000 0.202 682 D C 0.444 176.733 176.300 -0.018 0.000 0.974 682 D CA 1.180 55.158 54.000 -0.037 0.000 0.841 682 D CB 0.154 40.935 40.800 -0.031 0.000 0.953 682 D HN 0.203 nan 8.370 nan 0.000 0.478 683 S N -0.194 115.517 115.700 0.017 0.000 3.697 683 S HA 0.167 4.636 4.470 -0.001 0.000 0.207 683 S C 1.547 176.170 174.600 0.039 0.000 1.459 683 S CA 0.213 58.474 58.200 0.102 0.000 1.122 683 S CB -0.207 63.105 63.200 0.186 0.000 1.311 683 S HN 0.256 nan 8.310 nan 0.000 0.487 684 S N 2.769 118.420 115.700 -0.081 0.000 2.445 684 S HA -0.453 4.016 4.470 -0.001 0.000 0.293 684 S C 1.592 176.002 174.600 -0.316 0.000 1.163 684 S CA 2.125 60.216 58.200 -0.181 0.000 1.287 684 S CB -1.234 61.880 63.200 -0.143 0.000 1.234 684 S HN 0.760 nan 8.310 nan 0.000 0.446 685 E N 1.251 121.154 120.200 -0.494 0.000 2.187 685 E HA -0.150 4.199 4.350 -0.001 0.000 0.199 685 E C 0.718 176.873 176.600 -0.742 0.000 1.004 685 E CA 1.449 57.409 56.400 -0.734 0.000 0.813 685 E CB -0.492 28.492 29.700 -1.193 0.000 0.736 685 E HN 0.831 nan 8.360 nan 0.000 0.468 686 F N 0.840 120.740 119.950 -0.084 0.000 2.987 686 F HA 0.169 4.696 4.527 -0.001 0.000 0.302 686 F C 0.870 176.551 175.800 -0.198 0.000 1.221 686 F CA -0.494 57.461 58.000 -0.075 0.000 1.307 686 F CB 0.111 39.031 39.000 -0.134 0.000 1.108 686 F HN -0.160 nan 8.300 nan 0.000 0.521 687 S N -1.168 114.259 115.700 -0.455 0.000 2.967 687 S HA 0.144 4.613 4.470 -0.001 0.000 0.254 687 S C 0.312 174.209 174.600 -1.171 0.000 1.089 687 S CA 0.048 57.792 58.200 -0.758 0.000 1.183 687 S CB -1.117 61.564 63.200 -0.864 0.000 0.848 687 S HN 0.384 nan 8.310 nan 0.000 0.477 688 F N -0.604 119.432 119.950 0.143 0.000 2.959 688 F HA 0.507 5.033 4.527 -0.001 0.000 0.393 688 F C 1.134 177.095 175.800 0.269 0.000 0.957 688 F CA -0.038 58.095 58.000 0.222 0.000 1.049 688 F CB 0.369 39.474 39.000 0.175 0.000 1.189 688 F HN 0.555 nan 8.300 nan 0.000 0.563 689 G N 0.654 109.635 108.800 0.302 0.000 2.343 689 G HA2 0.248 4.208 3.960 -0.001 0.000 0.562 689 G HA3 0.248 4.208 3.960 -0.001 0.000 0.562 689 G C -1.716 173.236 174.900 0.086 0.000 1.269 689 G CA -0.577 44.648 45.100 0.209 0.000 1.011 689 G HN 0.056 nan 8.290 nan 0.000 0.498 690 V N 0.369 120.237 119.914 -0.078 0.000 3.166 690 V HA 0.855 4.974 4.120 -0.001 0.000 0.317 690 V C -0.446 175.400 176.094 -0.413 0.000 1.136 690 V CA -0.899 61.261 62.300 -0.233 0.000 1.035 690 V CB 2.080 33.679 31.823 -0.374 0.000 1.110 690 V HN 0.696 nan 8.190 nan 0.000 0.450 691 K N 2.145 122.288 120.400 -0.428 0.000 2.827 691 K HA 0.373 4.692 4.320 -0.001 0.000 0.186 691 K C -1.051 175.062 176.600 -0.811 0.000 1.093 691 K CA -0.179 55.728 56.287 -0.633 0.000 0.993 691 K CB 0.661 32.967 32.500 -0.323 0.000 1.199 691 K HN 0.454 nan 8.250 nan 0.000 0.598 692 F N -0.159 119.565 119.950 -0.377 0.000 2.490 692 F HA 0.235 4.761 4.527 -0.001 0.000 0.336 692 F C 1.104 176.504 175.800 -0.667 0.000 1.178 692 F CA -0.464 57.334 58.000 -0.337 0.000 1.301 692 F CB 0.058 39.012 39.000 -0.077 0.000 1.175 692 F HN 0.165 nan 8.300 nan 0.000 0.593 693 F N -0.458 119.610 119.950 0.197 0.000 2.974 693 F HA 0.203 4.729 4.527 -0.001 0.000 0.357 693 F C -0.580 175.221 175.800 0.002 0.000 1.114 693 F CA -0.755 57.268 58.000 0.038 0.000 1.099 693 F CB -0.113 38.873 39.000 -0.023 0.000 1.205 693 F HN 0.541 nan 8.300 nan 0.000 0.535 694 N N -2.996 115.788 118.700 0.140 0.000 2.504 694 N HA 0.167 4.906 4.740 -0.001 0.000 0.268 694 N C -0.168 175.337 175.510 -0.009 0.000 1.184 694 N CA -0.743 52.310 53.050 0.006 0.000 0.875 694 N CB 0.330 38.859 38.487 0.071 0.000 1.630 694 N HN -0.176 nan 8.380 nan 0.000 0.486 695 Y N 0.515 120.867 120.300 0.086 0.000 2.348 695 Y HA -0.050 4.499 4.550 -0.001 0.000 0.285 695 Y C 2.264 178.174 175.900 0.017 0.000 1.173 695 Y CA 1.963 60.086 58.100 0.037 0.000 1.263 695 Y CB -0.590 37.888 38.460 0.030 0.000 0.974 695 Y HN 0.877 nan 8.280 nan 0.000 0.547 696 G N -0.767 108.130 108.800 0.161 0.000 2.394 696 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.215 696 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.215 696 G C 1.456 176.398 174.900 0.070 0.000 1.165 696 G CA 0.594 45.757 45.100 0.104 0.000 0.784 696 G HN 0.412 nan 8.290 nan 0.000 0.535 697 Q N -0.542 119.292 119.800 0.057 0.000 2.119 697 Q HA -0.007 4.333 4.340 -0.001 0.000 0.201 697 Q C 2.407 178.402 176.000 -0.010 0.000 0.972 697 Q CA 0.773 56.590 55.803 0.024 0.000 0.847 697 Q CB -0.248 28.547 28.738 0.094 0.000 0.903 697 Q HN 0.396 nan 8.270 nan 0.000 0.433 698 L N 1.121 122.303 121.223 -0.069 0.000 1.948 698 L HA -0.160 4.179 4.340 -0.001 0.000 0.212 698 L C 2.047 178.835 176.870 -0.137 0.000 1.074 698 L CA 1.664 56.338 54.840 -0.277 0.000 0.753 698 L CB -0.723 41.221 42.059 -0.192 0.000 0.888 698 L HN 0.190 nan 8.230 nan 0.000 0.432 699 I N -0.068 120.486 120.570 -0.027 0.000 2.145 699 I HA -0.398 3.771 4.170 -0.001 0.000 0.244 699 I C 2.630 178.786 176.117 0.066 0.000 1.075 699 I CA 1.394 62.692 61.300 -0.003 0.000 1.332 699 I CB -0.956 37.061 38.000 0.029 0.000 1.033 699 I HN 0.454 nan 8.210 nan 0.000 0.410 700 A N 0.794 123.696 122.820 0.138 0.000 1.863 700 A HA -0.337 3.983 4.320 -0.001 0.000 0.218 700 A C 2.337 180.052 177.584 0.219 0.000 1.233 700 A CA 2.372 54.583 52.037 0.290 0.000 0.655 700 A CB -1.411 17.667 19.000 0.131 0.000 0.839 700 A HN 0.506 nan 8.150 nan 0.000 0.454 701 Y N 0.684 121.009 120.300 0.043 0.000 2.030 701 Y HA -0.260 4.289 4.550 -0.001 0.000 0.274 701 Y C 2.235 178.068 175.900 -0.113 0.000 1.153 701 Y CA 1.382 59.503 58.100 0.035 0.000 1.115 701 Y CB -0.815 37.628 38.460 -0.028 0.000 0.969 701 Y HN 0.275 nan 8.280 nan 0.000 0.488 702 I N 1.014 121.428 120.570 -0.260 0.000 2.094 702 I HA -0.421 3.749 4.170 -0.001 0.000 0.236 702 I C 2.344 178.316 176.117 -0.241 0.000 1.016 702 I CA 2.077 63.165 61.300 -0.354 0.000 1.294 702 I CB -1.632 36.217 38.000 -0.252 0.000 1.006 702 I HN 0.320 nan 8.210 nan 0.000 0.397 703 D N 0.156 120.512 120.400 -0.074 0.000 2.172 703 D HA -0.206 4.433 4.640 -0.001 0.000 0.196 703 D C 2.277 178.594 176.300 0.029 0.000 0.999 703 D CA 1.932 55.941 54.000 0.016 0.000 0.856 703 D CB -0.023 40.883 40.800 0.176 0.000 0.934 703 D HN 0.407 nan 8.370 nan 0.000 0.453 704 S N 0.487 116.190 115.700 0.004 0.000 2.359 704 S HA -0.194 4.276 4.470 -0.001 0.000 0.223 704 S C 2.161 176.688 174.600 -0.121 0.000 1.039 704 S CA 1.110 59.266 58.200 -0.074 0.000 1.042 704 S CB -0.180 62.888 63.200 -0.220 0.000 0.915 704 S HN 0.104 nan 8.310 nan 0.000 0.439 705 L N 2.286 123.364 121.223 -0.242 0.000 2.109 705 L HA 0.082 4.421 4.340 -0.001 0.000 0.207 705 L C 2.385 179.124 176.870 -0.219 0.000 1.086 705 L CA 1.731 56.423 54.840 -0.247 0.000 0.760 705 L CB -1.220 40.619 42.059 -0.367 0.000 0.910 705 L HN 0.490 nan 8.230 nan 0.000 0.437 706 N N -0.531 118.018 118.700 -0.252 0.000 2.184 706 N HA -0.246 4.494 4.740 -0.001 0.000 0.190 706 N C 1.758 177.059 175.510 -0.350 0.000 1.011 706 N CA 1.330 54.174 53.050 -0.343 0.000 0.867 706 N CB 0.141 38.461 38.487 -0.279 0.000 0.993 706 N HN 0.341 nan 8.380 nan 0.000 0.433 707 S N 0.742 116.352 115.700 -0.150 0.000 2.317 707 S HA -0.032 4.437 4.470 -0.001 0.000 0.212 707 S C 1.408 176.010 174.600 0.004 0.000 1.030 707 S CA 0.923 59.104 58.200 -0.031 0.000 0.970 707 S CB -0.557 62.664 63.200 0.036 0.000 0.928 707 S HN 0.438 nan 8.310 nan 0.000 0.451 708 N N 1.319 120.007 118.700 -0.019 0.000 2.202 708 N HA -0.147 4.593 4.740 -0.001 0.000 0.197 708 N C 1.423 176.948 175.510 0.025 0.000 0.995 708 N CA 1.296 54.344 53.050 -0.003 0.000 0.894 708 N CB -0.717 37.749 38.487 -0.035 0.000 1.010 708 N HN 0.205 nan 8.380 nan 0.000 0.453 709 V N -0.540 119.380 119.914 0.010 0.000 2.283 709 V HA -0.171 3.948 4.120 -0.001 0.000 0.243 709 V C 1.602 177.847 176.094 0.252 0.000 1.039 709 V CA 1.283 63.631 62.300 0.080 0.000 1.016 709 V CB -0.684 31.146 31.823 0.012 0.000 0.650 709 V HN 0.254 nan 8.190 nan 0.000 0.449 710 Y N 0.722 121.040 120.300 0.031 0.000 2.421 710 Y HA 0.006 4.555 4.550 -0.001 0.000 0.292 710 Y C 1.996 177.922 175.900 0.043 0.000 1.136 710 Y CA 0.468 58.596 58.100 0.046 0.000 1.255 710 Y CB -0.553 37.934 38.460 0.045 0.000 0.991 710 Y HN 0.364 nan 8.280 nan 0.000 0.552 711 N N -0.305 118.510 118.700 0.192 0.000 2.238 711 N HA 0.235 4.975 4.740 -0.001 0.000 0.222 711 N C -0.017 175.545 175.510 0.086 0.000 1.133 711 N CA 0.175 53.293 53.050 0.114 0.000 0.854 711 N CB 0.454 38.990 38.487 0.083 0.000 1.041 711 N HN 0.019 nan 8.380 nan 0.000 0.510 712 A N 0.273 123.153 122.820 0.099 0.000 2.303 712 A HA 0.440 4.760 4.320 -0.001 0.000 0.317 712 A C 0.567 178.202 177.584 0.084 0.000 1.149 712 A CA -0.398 51.686 52.037 0.079 0.000 0.822 712 A CB 0.792 19.837 19.000 0.076 0.000 1.131 712 A HN 0.104 nan 8.150 nan 0.000 0.493 713 S N 0.575 116.316 115.700 0.068 0.000 2.560 713 S HA 0.310 4.780 4.470 -0.001 0.000 0.284 713 S C 0.311 174.967 174.600 0.094 0.000 1.327 713 S CA 0.274 58.514 58.200 0.067 0.000 1.055 713 S CB -0.280 62.950 63.200 0.050 0.000 0.868 713 S HN 1.124 nan 8.310 nan 0.000 0.506 714 I N 1.896 122.523 120.570 0.096 0.000 2.900 714 I HA 0.392 4.562 4.170 -0.001 0.000 0.331 714 I C -0.544 175.618 176.117 0.075 0.000 1.427 714 I CA -0.645 60.740 61.300 0.141 0.000 0.836 714 I CB 0.510 38.644 38.000 0.223 0.000 2.115 714 I HN 0.512 nan 8.210 nan 0.000 0.578 715 T N -2.138 112.452 114.554 0.060 0.000 2.881 715 T HA 0.472 4.821 4.350 -0.001 0.000 0.291 715 T C -0.450 174.274 174.700 0.041 0.000 0.990 715 T CA -0.489 61.631 62.100 0.033 0.000 0.976 715 T CB 1.907 70.785 68.868 0.016 0.000 0.970 715 T HN 0.278 nan 8.240 nan 0.000 0.438 716 E N 3.192 123.417 120.200 0.041 0.000 2.081 716 E HA 0.103 4.453 4.350 -0.001 0.000 0.270 716 E C 1.088 177.696 176.600 0.013 0.000 1.180 716 E CA -0.364 56.057 56.400 0.036 0.000 0.926 716 E CB 0.244 29.973 29.700 0.050 0.000 1.035 716 E HN 0.604 nan 8.360 nan 0.000 0.418 717 N N 1.928 120.630 118.700 0.003 0.000 2.501 717 N HA -0.072 4.667 4.740 -0.001 0.000 0.195 717 N C -0.412 175.077 175.510 -0.035 0.000 1.213 717 N CA 0.131 53.175 53.050 -0.009 0.000 0.864 717 N CB -0.034 38.450 38.487 -0.005 0.000 0.999 717 N HN 0.328 nan 8.380 nan 0.000 0.454 718 S N -1.172 114.495 115.700 -0.055 0.000 2.683 718 S HA 0.194 4.663 4.470 -0.001 0.000 0.264 718 S C 0.305 174.827 174.600 -0.129 0.000 1.066 718 S CA -0.780 57.341 58.200 -0.132 0.000 0.846 718 S CB -0.481 62.572 63.200 -0.244 0.000 1.114 718 S HN 0.007 nan 8.310 nan 0.000 0.476 719 F N 0.303 120.137 119.950 -0.193 0.000 2.149 719 F HA 0.338 4.865 4.527 -0.001 0.000 0.294 719 F C 1.812 177.475 175.800 -0.228 0.000 1.095 719 F CA 0.503 58.376 58.000 -0.212 0.000 1.276 719 F CB -1.154 37.668 39.000 -0.297 0.000 1.023 719 F HN 0.441 nan 8.300 nan 0.000 0.480 720 F N 0.726 120.208 119.950 -0.779 0.000 2.204 720 F HA -0.269 4.258 4.527 -0.001 0.000 0.301 720 F C 2.223 177.417 175.800 -1.011 0.000 1.058 720 F CA 1.459 58.968 58.000 -0.817 0.000 1.313 720 F CB -0.805 37.668 39.000 -0.878 0.000 1.051 720 F HN 0.105 nan 8.300 nan 0.000 0.505 721 M N -1.502 117.890 119.600 -0.347 0.000 2.447 721 M HA 0.003 4.483 4.480 -0.001 0.000 0.266 721 M C 2.118 178.438 176.300 0.033 0.000 1.120 721 M CA 1.101 56.284 55.300 -0.194 0.000 1.166 721 M CB -1.488 31.077 32.600 -0.059 0.000 1.349 721 M HN -0.016 nan 8.290 nan 0.000 0.463 722 T N 0.761 115.361 114.554 0.077 0.000 2.821 722 T HA -0.121 4.228 4.350 -0.001 0.000 0.267 722 T C 1.573 176.418 174.700 0.241 0.000 1.046 722 T CA 1.119 63.311 62.100 0.153 0.000 1.139 722 T CB -0.440 68.513 68.868 0.141 0.000 0.871 722 T HN 0.192 nan 8.240 nan 0.000 0.454 723 F N 1.808 121.818 119.950 0.100 0.000 2.000 723 F HA -0.101 4.426 4.527 -0.001 0.000 0.295 723 F C 1.884 177.875 175.800 0.319 0.000 1.159 723 F CA 1.252 59.367 58.000 0.192 0.000 1.171 723 F CB -0.581 38.530 39.000 0.185 0.000 0.971 723 F HN 0.015 nan 8.300 nan 0.000 0.479 724 F N 0.996 121.189 119.950 0.405 0.000 2.127 724 F HA -0.305 4.221 4.527 -0.001 0.000 0.299 724 F C 2.682 178.560 175.800 0.130 0.000 1.068 724 F CA 1.915 60.035 58.000 0.200 0.000 1.263 724 F CB -1.540 37.563 39.000 0.172 0.000 1.016 724 F HN 0.136 nan 8.300 nan 0.000 0.491 725 R N 0.011 120.717 120.500 0.342 0.000 2.055 725 R HA -0.081 4.259 4.340 -0.001 0.000 0.226 725 R C 2.407 178.821 176.300 0.191 0.000 1.135 725 R CA 1.417 57.666 56.100 0.248 0.000 0.959 725 R CB -0.423 30.021 30.300 0.241 0.000 0.854 725 R HN 0.143 nan 8.270 nan 0.000 0.431 726 S N 0.280 116.069 115.700 0.148 0.000 2.387 726 S HA -0.193 4.276 4.470 -0.001 0.000 0.230 726 S C 1.390 176.017 174.600 0.044 0.000 1.035 726 S CA 1.482 59.730 58.200 0.080 0.000 1.014 726 S CB -0.414 62.811 63.200 0.041 0.000 0.836 726 S HN 0.376 nan 8.310 nan 0.000 0.466 727 Y N 1.869 122.086 120.300 -0.138 0.000 2.337 727 Y HA -0.088 4.462 4.550 -0.001 0.000 0.247 727 Y C 2.121 177.988 175.900 -0.054 0.000 1.036 727 Y CA 1.370 59.371 58.100 -0.165 0.000 1.041 727 Y CB -0.744 37.558 38.460 -0.262 0.000 1.021 727 Y HN 0.067 nan 8.280 nan 0.000 0.473 728 I N 0.583 121.363 120.570 0.350 0.000 2.141 728 I HA -0.379 3.791 4.170 -0.001 0.000 0.243 728 I C 1.724 177.900 176.117 0.098 0.000 1.035 728 I CA 1.476 62.889 61.300 0.189 0.000 1.302 728 I CB -0.847 37.229 38.000 0.127 0.000 1.006 728 I HN 0.319 nan 8.210 nan 0.000 0.413 729 I N 0.000 120.644 120.570 0.123 0.000 2.984 729 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 729 I CA 0.000 61.401 61.300 0.168 0.000 1.566 729 I CB 0.000 38.110 38.000 0.183 0.000 1.214 729 I HN 0.000 nan 8.210 nan 0.000 0.494