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 3f7f_1_C 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 DNSYLKCLTR FFSRSSKSDY DSVISCKLFH ERYLIVLTQN CHLKIWDLTS DATA SEQUENCE FTLIQDYDMV SQSDSDPSHF RKVEAVGEYL SLYNNTLVTL LPLENGLFQM DATA SEQUENCE GTLLVXXXXX 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 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.311 55.300 0.019 0.000 0.988 1 M CB 0.000 32.616 32.600 0.027 0.000 1.302 2 A N 0.094 122.920 122.820 0.011 0.000 2.260 2 A HA 0.550 4.870 4.320 -0.000 0.000 0.312 2 A C 0.623 178.189 177.584 -0.030 0.000 1.321 2 A CA -0.371 51.656 52.037 -0.016 0.000 0.928 2 A CB 0.099 19.081 19.000 -0.030 0.000 1.158 2 A HN 0.711 nan 8.150 nan 0.000 0.542 3 C N 2.312 121.583 119.300 -0.047 0.000 2.912 3 C HA 0.372 4.832 4.460 -0.000 0.000 0.274 3 C C 0.423 175.348 174.990 -0.108 0.000 1.248 3 C CA 0.092 59.069 59.018 -0.069 0.000 1.694 3 C CB -1.532 26.166 27.740 -0.069 0.000 2.024 3 C HN 0.717 nan 8.230 nan 0.000 0.605 4 L N 0.802 121.962 121.223 -0.104 0.000 2.333 4 L HA 0.577 4.916 4.340 -0.000 0.000 0.269 4 L C 0.276 177.058 176.870 -0.147 0.000 1.010 4 L CA 0.306 55.082 54.840 -0.106 0.000 0.818 4 L CB 1.647 43.692 42.059 -0.023 0.000 1.306 4 L HN 0.101 nan 8.230 nan 0.000 0.430 5 S N 0.382 115.979 115.700 -0.171 0.000 2.677 5 S HA 0.776 5.246 4.470 -0.000 0.000 0.304 5 S C -0.650 173.792 174.600 -0.263 0.000 1.108 5 S CA -0.976 57.046 58.200 -0.297 0.000 0.944 5 S CB 1.946 64.962 63.200 -0.308 0.000 1.127 5 S HN 0.557 nan 8.310 nan 0.000 0.511 6 R N 0.772 121.073 120.500 -0.332 0.000 2.294 6 R HA 0.538 4.878 4.340 -0.000 0.000 0.319 6 R C -1.272 174.862 176.300 -0.277 0.000 0.984 6 R CA -0.641 55.158 56.100 -0.501 0.000 0.861 6 R CB 0.428 30.426 30.300 -0.504 0.000 1.104 6 R HN 0.643 nan 8.270 nan 0.000 0.451 7 I N 4.467 124.873 120.570 -0.272 0.000 2.390 7 I HA 0.239 4.409 4.170 -0.000 0.000 0.283 7 I C -0.677 175.367 176.117 -0.121 0.000 1.016 7 I CA -0.796 60.411 61.300 -0.155 0.000 1.151 7 I CB 1.298 39.215 38.000 -0.139 0.000 1.293 7 I HN 0.574 nan 8.210 nan 0.000 0.458 8 D N 5.623 125.975 120.400 -0.080 0.000 2.264 8 D HA 0.495 5.135 4.640 -0.000 0.000 0.250 8 D C 0.121 176.419 176.300 -0.002 0.000 1.113 8 D CA 0.027 54.011 54.000 -0.027 0.000 0.871 8 D CB 2.323 43.115 40.800 -0.012 0.000 1.167 8 D HN 0.587 nan 8.370 nan 0.000 0.447 9 A N 3.068 125.928 122.820 0.067 0.000 2.291 9 A HA 0.300 4.620 4.320 -0.000 0.000 0.311 9 A C -0.213 177.460 177.584 0.148 0.000 1.224 9 A CA -0.798 51.292 52.037 0.088 0.000 0.821 9 A CB 0.638 19.737 19.000 0.165 0.000 1.172 9 A HN 0.442 nan 8.150 nan 0.000 0.494 10 N N 3.846 122.587 118.700 0.068 0.000 2.621 10 N HA 0.201 4.941 4.740 -0.000 0.000 0.237 10 N C 0.620 176.163 175.510 0.054 0.000 0.997 10 N CA -0.390 52.722 53.050 0.105 0.000 0.918 10 N CB 0.768 39.304 38.487 0.080 0.000 1.122 10 N HN 0.669 nan 8.380 nan 0.000 0.510 11 L N 2.374 123.688 121.223 0.153 0.000 2.369 11 L HA -0.184 4.156 4.340 -0.000 0.000 0.220 11 L C 1.347 178.249 176.870 0.054 0.000 1.119 11 L CA 1.212 56.123 54.840 0.118 0.000 0.780 11 L CB -0.090 42.096 42.059 0.211 0.000 0.906 11 L HN 0.554 nan 8.230 nan 0.000 0.442 12 L N -1.266 119.967 121.223 0.017 0.000 2.808 12 L HA 0.072 4.412 4.340 -0.000 0.000 0.246 12 L C 2.103 178.988 176.870 0.026 0.000 1.153 12 L CA -0.138 54.749 54.840 0.079 0.000 0.956 12 L CB -0.001 42.040 42.059 -0.031 0.000 1.270 12 L HN 0.202 nan 8.230 nan 0.000 0.528 13 Q N 0.758 120.484 119.800 -0.124 0.000 2.077 13 Q HA -0.252 4.088 4.340 -0.000 0.000 0.206 13 Q C 1.613 177.460 176.000 -0.254 0.000 0.989 13 Q CA 2.228 57.904 55.803 -0.212 0.000 0.853 13 Q CB -0.102 28.440 28.738 -0.327 0.000 0.907 13 Q HN 0.459 nan 8.270 nan 0.000 0.418 14 Y N -1.035 119.016 120.300 -0.414 0.000 2.639 14 Y HA -0.017 4.533 4.550 -0.000 0.000 0.297 14 Y C -0.116 175.224 175.900 -0.933 0.000 1.151 14 Y CA 0.124 57.799 58.100 -0.708 0.000 1.335 14 Y CB -0.323 37.599 38.460 -0.898 0.000 0.994 14 Y HN 0.109 nan 8.280 nan 0.000 0.548 15 Y N -0.973 119.217 120.300 -0.183 0.000 2.528 15 Y HA 0.305 4.855 4.550 -0.000 0.000 0.335 15 Y C 1.444 177.261 175.900 -0.138 0.000 1.093 15 Y CA -1.482 56.436 58.100 -0.303 0.000 1.134 15 Y CB 0.936 38.918 38.460 -0.797 0.000 1.253 15 Y HN -0.188 nan 8.280 nan 0.000 0.478 16 E N 0.371 120.616 120.200 0.075 0.000 2.051 16 E HA -0.030 4.320 4.350 -0.000 0.000 0.189 16 E C 0.112 176.783 176.600 0.118 0.000 0.979 16 E CA 0.527 56.968 56.400 0.070 0.000 0.803 16 E CB 0.233 29.970 29.700 0.062 0.000 0.761 16 E HN 0.273 nan 8.360 nan 0.000 0.451 17 K N 2.105 122.614 120.400 0.181 0.000 2.382 17 K HA 0.017 4.337 4.320 -0.000 0.000 0.286 17 K C -2.119 174.587 176.600 0.175 0.000 1.062 17 K CA -1.238 55.155 56.287 0.177 0.000 1.000 17 K CB 0.728 33.345 32.500 0.196 0.000 0.954 17 K HN 0.145 nan 8.250 nan 0.000 0.470 18 P HA -0.013 nan 4.420 nan 0.000 0.246 18 P C -1.052 176.277 177.300 0.049 0.000 1.686 18 P CA 0.148 63.307 63.100 0.099 0.000 0.867 18 P CB -0.191 31.582 31.700 0.122 0.000 1.733 19 E N -1.297 118.904 120.200 0.003 0.000 2.649 19 E HA 0.334 4.684 4.350 -0.000 0.000 0.308 19 E C -3.373 173.113 176.600 -0.191 0.000 1.017 19 E CA -2.086 54.261 56.400 -0.088 0.000 0.848 19 E CB -0.024 29.670 29.700 -0.010 0.000 1.240 19 E HN -0.171 nan 8.360 nan 0.000 0.421 20 P HA 0.017 nan 4.420 nan 0.000 0.267 20 P C -0.036 177.049 177.300 -0.357 0.000 1.201 20 P CA -0.054 62.739 63.100 -0.511 0.000 0.775 20 P CB 0.565 32.031 31.700 -0.391 0.000 0.854 21 N N 1.308 119.753 118.700 -0.424 0.000 2.333 21 N HA -0.094 4.646 4.740 -0.000 0.000 0.178 21 N C 0.361 175.780 175.510 -0.152 0.000 1.018 21 N CA 0.581 53.495 53.050 -0.228 0.000 0.882 21 N CB -0.342 38.023 38.487 -0.203 0.000 0.984 21 N HN 0.272 nan 8.380 nan 0.000 0.434 22 N N 0.115 118.711 118.700 -0.173 0.000 2.602 22 N HA 0.136 4.876 4.740 -0.000 0.000 0.238 22 N C -1.694 173.764 175.510 -0.087 0.000 1.084 22 N CA 0.138 53.123 53.050 -0.108 0.000 0.952 22 N CB 0.135 38.562 38.487 -0.101 0.000 1.244 22 N HN -0.092 nan 8.380 nan 0.000 0.512 23 T N 2.674 117.198 114.554 -0.050 0.000 2.890 23 T HA 0.351 4.701 4.350 -0.000 0.000 0.295 23 T C -0.522 174.186 174.700 0.013 0.000 0.993 23 T CA -0.681 61.410 62.100 -0.014 0.000 0.979 23 T CB 0.809 69.678 68.868 0.002 0.000 0.967 23 T HN 0.259 nan 8.240 nan 0.000 0.441 24 V N 0.511 120.436 119.914 0.017 0.000 2.547 24 V HA 0.684 4.804 4.120 -0.000 0.000 0.299 24 V C -0.646 175.498 176.094 0.084 0.000 1.040 24 V CA -0.806 61.528 62.300 0.057 0.000 0.913 24 V CB 1.876 33.734 31.823 0.058 0.000 0.992 24 V HN 0.710 nan 8.190 nan 0.000 0.449 25 D N 4.942 125.427 120.400 0.142 0.000 2.441 25 D HA 0.452 5.092 4.640 -0.000 0.000 0.231 25 D C -0.487 175.933 176.300 0.201 0.000 1.073 25 D CA -0.026 54.074 54.000 0.167 0.000 0.850 25 D CB 2.025 43.005 40.800 0.299 0.000 1.062 25 D HN 0.539 nan 8.370 nan 0.000 0.524 26 L N 2.669 123.924 121.223 0.054 0.000 2.292 26 L HA 0.333 4.673 4.340 -0.000 0.000 0.284 26 L C -0.530 176.449 176.870 0.182 0.000 1.065 26 L CA -0.682 54.187 54.840 0.049 0.000 0.806 26 L CB 0.444 42.253 42.059 -0.417 0.000 1.175 26 L HN 0.214 nan 8.230 nan 0.000 0.431 27 Y N 1.783 122.268 120.300 0.308 0.000 2.446 27 Y HA 0.524 5.074 4.550 -0.000 0.000 0.338 27 Y C 0.131 176.118 175.900 0.146 0.000 1.055 27 Y CA -0.830 57.411 58.100 0.235 0.000 1.101 27 Y CB 2.002 40.515 38.460 0.090 0.000 1.221 27 Y HN 0.142 nan 8.280 nan 0.000 0.460 28 V N 2.629 122.561 119.914 0.030 0.000 2.513 28 V HA 0.484 4.604 4.120 -0.000 0.000 0.299 28 V C -0.074 175.855 176.094 -0.275 0.000 1.035 28 V CA -0.851 61.136 62.300 -0.520 0.000 0.889 28 V CB 1.719 33.211 31.823 -0.551 0.000 0.988 28 V HN 0.939 nan 8.190 nan 0.000 0.440 54 S N 0.853 116.495 115.700 -0.098 0.000 2.526 54 S HA 0.226 4.696 4.470 -0.000 0.000 0.245 54 S C 0.933 175.184 174.600 -0.582 0.000 1.103 54 S CA -0.217 57.862 58.200 -0.201 0.000 1.095 54 S CB 0.842 64.003 63.200 -0.065 0.000 0.826 54 S HN 0.763 nan 8.310 nan 0.000 0.468 55 E N 0.406 120.263 120.200 -0.572 0.000 2.500 55 E HA 0.245 4.595 4.350 -0.000 0.000 0.217 55 E C -0.680 175.598 176.600 -0.536 0.000 0.848 55 E CA -0.108 55.885 56.400 -0.678 0.000 1.217 55 E CB 0.730 30.217 29.700 -0.355 0.000 1.217 55 E HN 0.389 nan 8.360 nan 0.000 0.573 56 Y N 0.169 120.169 120.300 -0.500 0.000 2.521 56 Y HA 0.443 4.993 4.550 -0.000 0.000 0.328 56 Y C -1.815 173.822 175.900 -0.438 0.000 1.151 56 Y CA -0.687 57.202 58.100 -0.353 0.000 1.054 56 Y CB 1.725 40.074 38.460 -0.184 0.000 1.338 56 Y HN 0.006 nan 8.280 nan 0.000 0.453 57 S N 5.242 120.142 115.700 -1.333 0.000 2.535 57 S HA 0.702 5.172 4.470 -0.000 0.000 0.272 57 S C -1.991 171.838 174.600 -1.286 0.000 1.149 57 S CA -0.807 56.591 58.200 -1.337 0.000 0.888 57 S CB 2.283 64.499 63.200 -1.640 0.000 1.110 57 S HN 0.770 nan 8.310 nan 0.000 0.463 58 N N -0.334 117.622 118.700 -1.240 0.000 2.934 58 N HA 0.586 5.326 4.740 -0.000 0.000 0.253 58 N C -1.974 173.113 175.510 -0.705 0.000 1.466 58 N CA -0.293 52.231 53.050 -0.876 0.000 0.858 58 N CB 2.034 40.070 38.487 -0.751 0.000 1.459 58 N HN 0.805 nan 8.380 nan 0.000 0.532 59 C N 1.506 120.637 119.300 -0.282 0.000 2.396 59 C HA 0.651 5.110 4.460 -0.000 0.000 0.321 59 C C -0.562 174.516 174.990 0.148 0.000 1.233 59 C CA -0.603 58.384 59.018 -0.052 0.000 1.440 59 C CB 0.329 28.051 27.740 -0.030 0.000 2.110 59 C HN 0.550 nan 8.230 nan 0.000 0.473 60 L N 4.835 126.199 121.223 0.235 0.000 2.346 60 L HA 0.750 5.090 4.340 -0.000 0.000 0.276 60 L C -0.599 176.327 176.870 0.094 0.000 1.006 60 L CA -0.362 54.599 54.840 0.203 0.000 0.817 60 L CB 1.306 43.494 42.059 0.216 0.000 1.272 60 L HN 0.589 nan 8.230 nan 0.000 0.421 61 L N 5.038 126.221 121.223 -0.067 0.000 2.395 61 L HA 0.537 4.877 4.340 -0.000 0.000 0.269 61 L C -0.645 176.109 176.870 -0.194 0.000 1.133 61 L CA 0.262 54.865 54.840 -0.395 0.000 0.812 61 L CB 0.723 42.498 42.059 -0.474 0.000 1.125 61 L HN 0.680 nan 8.230 nan 0.000 0.452 62 L N 1.999 123.102 121.223 -0.200 0.000 2.422 62 L HA 0.488 4.828 4.340 -0.000 0.000 0.263 62 L C 1.330 178.133 176.870 -0.112 0.000 1.110 62 L CA -0.710 54.075 54.840 -0.093 0.000 1.065 62 L CB 0.828 42.890 42.059 0.006 0.000 1.701 62 L HN 0.599 nan 8.230 nan 0.000 0.548 63 S N 0.382 116.039 115.700 -0.072 0.000 2.395 63 S HA -0.092 4.378 4.470 -0.000 0.000 0.225 63 S C 1.204 175.740 174.600 -0.107 0.000 1.027 63 S CA 1.270 59.423 58.200 -0.078 0.000 0.965 63 S CB -0.422 62.750 63.200 -0.047 0.000 0.812 63 S HN 0.750 nan 8.310 nan 0.000 0.482 64 N N 1.154 119.774 118.700 -0.132 0.000 2.501 64 N HA 0.114 4.854 4.740 -0.000 0.000 0.195 64 N C 0.063 175.460 175.510 -0.189 0.000 1.213 64 N CA 0.444 53.386 53.050 -0.181 0.000 0.864 64 N CB -0.447 37.867 38.487 -0.289 0.000 0.999 64 N HN 0.063 nan 8.380 nan 0.000 0.454 65 S N -1.472 114.116 115.700 -0.186 0.000 3.380 65 S HA -0.162 4.308 4.470 -0.000 0.000 0.300 65 S C -0.247 174.226 174.600 -0.212 0.000 1.255 65 S CA 0.807 58.887 58.200 -0.201 0.000 0.963 65 S CB -1.024 62.098 63.200 -0.130 0.000 1.106 65 S HN 0.573 nan 8.310 nan 0.000 0.629 66 E N -0.455 119.613 120.200 -0.219 0.000 2.227 66 E HA 0.513 4.863 4.350 -0.000 0.000 0.268 66 E C -0.582 175.943 176.600 -0.124 0.000 0.990 66 E CA -0.354 55.974 56.400 -0.120 0.000 0.856 66 E CB 0.703 30.284 29.700 -0.199 0.000 1.159 66 E HN 0.349 nan 8.360 nan 0.000 0.401 67 Y N 0.711 121.048 120.300 0.061 0.000 2.335 67 Y HA 0.347 4.896 4.550 -0.000 0.000 0.338 67 Y C 0.031 175.987 175.900 0.094 0.000 0.977 67 Y CA -0.725 57.403 58.100 0.046 0.000 1.114 67 Y CB 1.288 39.737 38.460 -0.019 0.000 1.182 67 Y HN 0.331 nan 8.280 nan 0.000 0.463 68 I N 3.380 124.091 120.570 0.235 0.000 2.441 68 I HA 0.539 4.709 4.170 -0.000 0.000 0.295 68 I C -1.030 175.130 176.117 0.071 0.000 0.994 68 I CA -0.541 60.855 61.300 0.160 0.000 1.144 68 I CB 0.603 38.707 38.000 0.173 0.000 1.314 68 I HN 0.622 nan 8.210 nan 0.000 0.445 69 C N 6.911 126.103 119.300 -0.180 0.000 2.391 69 C HA 0.754 5.214 4.460 -0.000 0.000 0.339 69 C C -0.930 173.855 174.990 -0.342 0.000 1.205 69 C CA -0.478 58.299 59.018 -0.402 0.000 1.937 69 C CB 0.623 27.828 27.740 -0.891 0.000 2.341 69 C HN 0.693 nan 8.230 nan 0.000 0.516 70 Y N -0.519 119.574 120.300 -0.344 0.000 2.504 70 Y HA 0.672 5.222 4.550 -0.000 0.000 0.344 70 Y C -0.668 175.081 175.900 -0.253 0.000 1.023 70 Y CA -0.936 56.874 58.100 -0.483 0.000 1.020 70 Y CB 0.834 38.876 38.460 -0.695 0.000 1.282 70 Y HN 0.697 nan 8.280 nan 0.000 0.454 71 H N 3.893 122.796 119.070 -0.278 0.000 2.589 71 H HA 0.359 4.915 4.556 -0.000 0.000 0.351 71 H C -1.790 173.534 175.328 -0.006 0.000 1.074 71 H CA -0.891 55.050 56.048 -0.177 0.000 1.203 71 H CB 2.503 32.146 29.762 -0.198 0.000 1.558 71 H HN 0.828 nan 8.280 nan 0.000 0.522 72 F N 3.410 123.341 119.950 -0.032 0.000 2.385 72 F HA 0.105 4.632 4.527 -0.000 0.000 0.360 72 F C 0.961 176.710 175.800 -0.085 0.000 1.122 72 F CA -0.884 57.091 58.000 -0.042 0.000 1.090 72 F CB 0.890 39.889 39.000 -0.001 0.000 1.150 72 F HN 0.559 nan 8.300 nan 0.000 0.472 73 S N 3.263 118.995 115.700 0.054 0.000 2.589 73 S HA -0.066 4.404 4.470 -0.000 0.000 0.256 73 S C 1.181 175.639 174.600 -0.237 0.000 1.383 73 S CA -0.023 58.115 58.200 -0.103 0.000 0.983 73 S CB 1.171 64.318 63.200 -0.087 0.000 0.908 73 S HN 0.752 nan 8.310 nan 0.000 0.572 74 S N 1.408 116.993 115.700 -0.191 0.000 2.353 74 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 74 S C 1.855 176.319 174.600 -0.228 0.000 1.035 74 S CA 1.529 59.610 58.200 -0.199 0.000 1.025 74 S CB -0.517 62.611 63.200 -0.120 0.000 0.902 74 S HN 0.731 nan 8.310 nan 0.000 0.440 75 R N 1.275 121.658 120.500 -0.195 0.000 2.339 75 R HA 0.160 4.500 4.340 -0.000 0.000 0.199 75 R C 0.425 176.541 176.300 -0.307 0.000 1.018 75 R CA 0.450 56.439 56.100 -0.186 0.000 1.036 75 R CB -0.242 29.995 30.300 -0.105 0.000 0.899 75 R HN 0.222 nan 8.270 nan 0.000 0.473 76 S N -0.765 114.587 115.700 -0.580 0.000 3.521 76 S HA -0.170 4.299 4.470 -0.000 0.000 0.328 76 S C 1.058 175.341 174.600 -0.528 0.000 1.165 76 S CA 1.380 58.882 58.200 -1.165 0.000 0.941 76 S CB -1.448 61.245 63.200 -0.846 0.000 0.951 76 S HN 0.742 nan 8.310 nan 0.000 0.539 77 T N -2.782 111.641 114.554 -0.219 0.000 3.001 77 T HA 0.568 4.918 4.350 -0.000 0.000 0.251 77 T C 0.107 174.859 174.700 0.086 0.000 1.040 77 T CA -0.047 62.053 62.100 0.001 0.000 0.985 77 T CB 0.285 69.154 68.868 0.001 0.000 1.011 77 T HN 0.330 nan 8.240 nan 0.000 0.509 78 L N 1.017 122.294 121.223 0.089 0.000 2.408 78 L HA 0.811 5.151 4.340 -0.000 0.000 0.268 78 L C -1.794 175.186 176.870 0.184 0.000 0.986 78 L CA -1.229 53.634 54.840 0.040 0.000 0.820 78 L CB 2.235 44.231 42.059 -0.107 0.000 1.303 78 L HN 0.150 nan 8.230 nan 0.000 0.411 79 L N 3.401 124.643 121.223 0.031 0.000 2.341 79 L HA 0.781 5.121 4.340 -0.000 0.000 0.278 79 L C -0.653 176.111 176.870 -0.177 0.000 1.005 79 L CA 0.236 55.028 54.840 -0.081 0.000 0.818 79 L CB 2.182 44.148 42.059 -0.155 0.000 1.259 79 L HN 0.732 nan 8.230 nan 0.000 0.418 80 T N 4.240 118.615 114.554 -0.299 0.000 2.863 80 T HA 0.657 5.007 4.350 -0.000 0.000 0.285 80 T C -1.069 173.357 174.700 -0.457 0.000 1.009 80 T CA -0.170 61.789 62.100 -0.236 0.000 0.989 80 T CB 0.911 69.696 68.868 -0.139 0.000 1.004 80 T HN 0.186 nan 8.240 nan 0.000 0.455 81 F N 2.622 122.575 119.950 0.005 0.000 2.540 81 F HA 0.689 5.216 4.527 -0.000 0.000 0.317 81 F C -0.657 175.171 175.800 0.047 0.000 1.104 81 F CA -0.964 57.019 58.000 -0.028 0.000 0.913 81 F CB 1.818 40.781 39.000 -0.062 0.000 1.170 81 F HN 0.656 nan 8.300 nan 0.000 0.450 82 Y N 1.242 121.634 120.300 0.154 0.000 2.565 82 Y HA 0.604 5.154 4.550 -0.000 0.000 0.330 82 Y C -3.488 172.492 175.900 0.134 0.000 1.150 82 Y CA -3.448 54.722 58.100 0.116 0.000 1.055 82 Y CB 1.101 39.662 38.460 0.169 0.000 1.337 82 Y HN 0.262 nan 8.280 nan 0.000 0.457 83 P HA 0.082 nan 4.420 nan 0.000 0.282 83 P C 0.602 178.128 177.300 0.377 0.000 1.262 83 P CA -0.269 63.023 63.100 0.320 0.000 0.773 83 P CB 2.172 34.085 31.700 0.355 0.000 0.879 84 L N 4.694 126.060 121.223 0.237 0.000 2.043 84 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 84 L C 2.275 179.229 176.870 0.140 0.000 1.075 84 L CA 2.874 57.777 54.840 0.105 0.000 0.752 84 L CB -1.094 40.883 42.059 -0.136 0.000 0.891 84 L HN 0.469 nan 8.230 nan 0.000 0.432 85 S N -2.669 113.141 115.700 0.183 0.000 2.562 85 S HA -0.015 4.455 4.470 -0.000 0.000 0.221 85 S C 0.821 175.516 174.600 0.159 0.000 0.975 85 S CA 0.510 58.810 58.200 0.167 0.000 0.918 85 S CB -0.177 63.109 63.200 0.145 0.000 0.772 85 S HN 0.558 nan 8.310 nan 0.000 0.531 86 D N 0.198 120.729 120.400 0.217 0.000 3.060 86 D HA 0.583 5.223 4.640 -0.000 0.000 0.326 86 D C 0.817 177.239 176.300 0.202 0.000 1.253 86 D CA 0.149 54.285 54.000 0.227 0.000 0.737 86 D CB 0.555 41.501 40.800 0.243 0.000 1.260 86 D HN 0.162 nan 8.370 nan 0.000 0.542 87 A N 0.456 123.383 122.820 0.177 0.000 1.930 87 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 87 A C 1.804 179.316 177.584 -0.120 0.000 1.175 87 A CA 1.076 53.149 52.037 0.059 0.000 0.627 87 A CB -0.576 18.418 19.000 -0.009 0.000 0.815 87 A HN 0.520 nan 8.150 nan 0.000 0.443 88 Y N -0.070 120.055 120.300 -0.292 0.000 2.114 88 Y HA -0.161 4.389 4.550 -0.000 0.000 0.284 88 Y C 2.603 178.207 175.900 -0.493 0.000 1.119 88 Y CA 2.149 59.901 58.100 -0.579 0.000 1.108 88 Y CB -0.331 37.451 38.460 -1.130 0.000 0.995 88 Y HN 0.460 nan 8.280 nan 0.000 0.491 89 H N -0.507 118.512 119.070 -0.084 0.000 2.482 89 H HA 0.158 4.714 4.556 -0.000 0.000 0.286 89 H C 1.256 176.544 175.328 -0.066 0.000 1.017 89 H CA 0.612 56.593 56.048 -0.111 0.000 1.322 89 H CB -0.745 29.046 29.762 0.049 0.000 1.426 89 H HN 0.339 nan 8.280 nan 0.000 0.546 90 G N 0.988 109.845 108.800 0.095 0.000 2.667 90 G HA2 0.117 4.077 3.960 -0.000 0.000 0.250 90 G HA3 0.117 4.077 3.960 -0.000 0.000 0.250 90 G C -0.085 174.818 174.900 0.006 0.000 1.212 90 G CA -0.501 44.653 45.100 0.090 0.000 0.874 90 G HN 0.174 nan 8.290 nan 0.000 0.561 91 K N -0.374 120.016 120.400 -0.016 0.000 2.211 91 K HA 0.425 4.745 4.320 -0.000 0.000 0.275 91 K C 0.136 176.731 176.600 -0.010 0.000 1.024 91 K CA -0.486 55.761 56.287 -0.066 0.000 0.887 91 K CB 0.807 33.207 32.500 -0.167 0.000 1.084 91 K HN 0.565 nan 8.250 nan 0.000 0.463 92 T N 2.380 116.956 114.554 0.037 0.000 2.829 92 T HA 0.484 4.834 4.350 -0.000 0.000 0.282 92 T C 0.047 174.787 174.700 0.067 0.000 0.990 92 T CA -0.825 61.356 62.100 0.136 0.000 1.028 92 T CB 0.404 69.403 68.868 0.219 0.000 0.951 92 T HN 0.463 nan 8.240 nan 0.000 0.460 93 I N 3.487 124.121 120.570 0.107 0.000 2.389 93 I HA 0.353 4.523 4.170 -0.000 0.000 0.288 93 I C -0.229 175.954 176.117 0.110 0.000 0.999 93 I CA -1.066 60.291 61.300 0.095 0.000 1.129 93 I CB 1.358 39.424 38.000 0.111 0.000 1.288 93 I HN 0.560 nan 8.210 nan 0.000 0.444 94 N N 7.617 126.324 118.700 0.012 0.000 2.439 94 N HA 0.443 5.183 4.740 -0.000 0.000 0.249 94 N C -0.587 174.811 175.510 -0.187 0.000 1.003 94 N CA -0.230 52.747 53.050 -0.122 0.000 0.942 94 N CB 1.939 40.295 38.487 -0.218 0.000 1.115 94 N HN 0.521 nan 8.380 nan 0.000 0.505 95 I N 3.808 124.306 120.570 -0.121 0.000 2.287 95 I HA 0.105 4.275 4.170 -0.000 0.000 0.290 95 I C 0.690 176.716 176.117 -0.152 0.000 1.069 95 I CA -0.537 60.726 61.300 -0.061 0.000 1.237 95 I CB 0.265 38.336 38.000 0.117 0.000 1.418 95 I HN 0.258 nan 8.210 nan 0.000 0.481 96 H N 6.634 125.609 119.070 -0.158 0.000 2.679 96 H HA 0.449 5.005 4.556 -0.000 0.000 0.369 96 H C -0.309 174.993 175.328 -0.043 0.000 1.178 96 H CA 0.060 56.014 56.048 -0.156 0.000 1.419 96 H CB 1.427 30.951 29.762 -0.397 0.000 1.458 96 H HN 0.391 nan 8.280 nan 0.000 0.605 97 L N 2.661 123.952 121.223 0.114 0.000 2.388 97 L HA 0.210 4.550 4.340 -0.000 0.000 0.264 97 L C -1.198 175.716 176.870 0.073 0.000 0.998 97 L CA -1.898 52.987 54.840 0.075 0.000 0.817 97 L CB 2.472 44.591 42.059 0.099 0.000 1.338 97 L HN 0.418 nan 8.230 nan 0.000 0.414 98 P HA -0.148 nan 4.420 nan 0.000 0.215 98 P C -0.050 177.283 177.300 0.055 0.000 1.157 98 P CA 1.448 64.577 63.100 0.047 0.000 0.874 98 P CB 0.379 32.099 31.700 0.034 0.000 0.790 99 N N -2.514 116.220 118.700 0.057 0.000 2.961 99 N HA 0.353 5.093 4.740 -0.000 0.000 0.245 99 N C -1.217 174.325 175.510 0.054 0.000 1.404 99 N CA -0.339 52.742 53.050 0.051 0.000 0.880 99 N CB 1.776 40.293 38.487 0.050 0.000 1.461 99 N HN -0.037 nan 8.380 nan 0.000 0.510 100 A N 0.641 123.478 122.820 0.028 0.000 2.567 100 A HA 0.268 4.588 4.320 -0.000 0.000 0.236 100 A C 0.791 178.408 177.584 0.054 0.000 1.088 100 A CA 0.538 52.578 52.037 0.005 0.000 0.776 100 A CB -0.426 18.552 19.000 -0.038 0.000 1.033 100 A HN 0.719 nan 8.150 nan 0.000 0.513 101 S N 0.581 116.326 115.700 0.077 0.000 2.655 101 S HA 0.366 4.836 4.470 -0.000 0.000 0.265 101 S C 1.051 175.697 174.600 0.076 0.000 1.240 101 S CA 0.228 58.500 58.200 0.120 0.000 0.986 101 S CB 0.546 63.880 63.200 0.223 0.000 0.985 101 S HN 0.770 nan 8.310 nan 0.000 0.562 102 M N 1.096 120.742 119.600 0.076 0.000 2.065 102 M HA 0.021 4.501 4.480 -0.000 0.000 0.259 102 M C 0.624 176.974 176.300 0.084 0.000 1.071 102 M CA 1.926 57.265 55.300 0.065 0.000 1.109 102 M CB -0.978 31.641 32.600 0.031 0.000 1.313 102 M HN 0.827 nan 8.290 nan 0.000 0.408 103 N N 0.578 119.348 118.700 0.118 0.000 2.813 103 N HA 0.260 5.000 4.740 -0.000 0.000 0.282 103 N C -1.159 174.466 175.510 0.192 0.000 1.748 103 N CA -0.107 53.040 53.050 0.163 0.000 0.860 103 N CB 0.208 38.819 38.487 0.208 0.000 1.204 103 N HN 0.493 nan 8.380 nan 0.000 0.490 104 Q N -0.584 119.263 119.800 0.079 0.000 0.976 104 Q HA -0.354 3.985 4.340 -0.000 0.000 0.388 104 Q C 0.729 176.768 176.000 0.066 0.000 1.040 104 Q CA 1.987 57.776 55.803 -0.023 0.000 0.466 104 Q CB -0.492 28.202 28.738 -0.075 0.000 5.189 104 Q HN 0.671 nan 8.270 nan 0.000 0.463 105 R N -0.478 119.963 120.500 -0.098 0.000 2.377 105 R HA -0.114 4.226 4.340 -0.000 0.000 0.207 105 R C 1.242 177.371 176.300 -0.285 0.000 1.075 105 R CA 2.010 58.020 56.100 -0.150 0.000 1.035 105 R CB -0.402 29.569 30.300 -0.549 0.000 0.857 105 R HN 0.489 nan 8.270 nan 0.000 0.475 106 Y N 0.752 121.062 120.300 0.017 0.000 2.420 106 Y HA 0.028 4.578 4.550 -0.000 0.000 0.292 106 Y C 1.894 177.913 175.900 0.199 0.000 1.119 106 Y CA 1.240 59.392 58.100 0.087 0.000 1.229 106 Y CB -0.096 38.355 38.460 -0.015 0.000 1.026 106 Y HN 0.302 nan 8.280 nan 0.000 0.554 107 T N -1.887 112.813 114.554 0.242 0.000 3.206 107 T HA 0.295 4.645 4.350 -0.000 0.000 0.253 107 T C -0.033 174.718 174.700 0.086 0.000 1.042 107 T CA -0.149 62.049 62.100 0.164 0.000 0.931 107 T CB -0.738 68.204 68.868 0.124 0.000 1.029 107 T HN 0.142 nan 8.240 nan 0.000 0.564 108 L N 0.334 121.586 121.223 0.048 0.000 2.341 108 L HA 0.842 5.182 4.340 -0.000 0.000 0.267 108 L C -0.956 175.860 176.870 -0.090 0.000 1.009 108 L CA -0.416 54.379 54.840 -0.075 0.000 0.819 108 L CB 2.511 44.452 42.059 -0.197 0.000 1.323 108 L HN 0.138 nan 8.230 nan 0.000 0.425 109 T N 3.873 118.340 114.554 -0.146 0.000 2.916 109 T HA 0.675 5.024 4.350 -0.000 0.000 0.305 109 T C -1.310 173.256 174.700 -0.224 0.000 1.119 109 T CA -0.401 61.610 62.100 -0.149 0.000 1.008 109 T CB 1.132 69.951 68.868 -0.081 0.000 1.129 109 T HN 0.506 nan 8.240 nan 0.000 0.480 110 I N 4.357 124.766 120.570 -0.269 0.000 2.563 110 I HA 0.348 4.518 4.170 -0.000 0.000 0.281 110 I C -0.727 175.205 176.117 -0.308 0.000 1.110 110 I CA -0.754 60.366 61.300 -0.299 0.000 1.073 110 I CB 1.689 39.428 38.000 -0.436 0.000 1.215 110 I HN 0.459 nan 8.210 nan 0.000 0.460 111 Q N 4.129 123.715 119.800 -0.356 0.000 2.458 111 Q HA 0.453 4.793 4.340 -0.000 0.000 0.282 111 Q C -0.933 174.923 176.000 -0.241 0.000 1.106 111 Q CA -0.778 54.779 55.803 -0.410 0.000 0.814 111 Q CB 3.173 31.367 28.738 -0.907 0.000 1.425 111 Q HN 0.530 nan 8.270 nan 0.000 0.437 112 E N 1.593 121.691 120.200 -0.170 0.000 2.055 112 E HA 0.237 4.587 4.350 -0.000 0.000 0.274 112 E C 0.709 177.277 176.600 -0.053 0.000 0.949 112 E CA -0.272 56.074 56.400 -0.090 0.000 0.775 112 E CB 0.845 30.510 29.700 -0.059 0.000 1.097 112 E HN 0.522 nan 8.360 nan 0.000 0.404 113 V N 2.589 122.490 119.914 -0.022 0.000 2.267 113 V HA 0.006 4.126 4.120 -0.000 0.000 0.228 113 V C 0.496 176.601 176.094 0.017 0.000 1.040 113 V CA 0.871 63.185 62.300 0.024 0.000 1.010 113 V CB -0.512 31.340 31.823 0.048 0.000 0.649 113 V HN 0.734 nan 8.190 nan 0.000 0.464 114 E N 0.103 120.313 120.200 0.016 0.000 2.373 114 E HA 0.323 4.673 4.350 -0.000 0.000 0.251 114 E C -0.890 175.718 176.600 0.013 0.000 0.923 114 E CA -0.778 55.630 56.400 0.013 0.000 0.798 114 E CB 1.405 31.114 29.700 0.015 0.000 1.303 114 E HN 0.485 nan 8.360 nan 0.000 0.412 115 Q N 0.435 120.242 119.800 0.011 0.000 2.494 115 Q HA -0.239 4.101 4.340 -0.000 0.000 0.266 115 Q C -0.722 175.293 176.000 0.024 0.000 1.053 115 Q CA 1.291 57.107 55.803 0.021 0.000 1.029 115 Q CB -2.095 26.657 28.738 0.024 0.000 1.423 115 Q HN 0.862 nan 8.270 nan 0.000 0.516 116 Q N -0.727 119.079 119.800 0.009 0.000 2.482 116 Q HA 0.614 4.954 4.340 -0.000 0.000 0.286 116 Q C -0.773 175.205 176.000 -0.036 0.000 1.007 116 Q CA -0.835 54.965 55.803 -0.004 0.000 0.801 116 Q CB 1.749 30.492 28.738 0.009 0.000 1.455 116 Q HN 0.191 nan 8.270 nan 0.000 0.398 117 L N 2.805 123.983 121.223 -0.075 0.000 2.259 117 L HA 0.336 4.676 4.340 -0.000 0.000 0.288 117 L C -0.952 175.857 176.870 -0.102 0.000 1.051 117 L CA -0.632 54.132 54.840 -0.126 0.000 0.824 117 L CB 0.686 42.599 42.059 -0.243 0.000 1.206 117 L HN 0.374 nan 8.230 nan 0.000 0.429 118 L N 5.733 126.906 121.223 -0.083 0.000 2.260 118 L HA 0.369 4.709 4.340 -0.000 0.000 0.289 118 L C -0.389 176.431 176.870 -0.083 0.000 1.057 118 L CA -0.011 54.802 54.840 -0.044 0.000 0.811 118 L CB 1.410 43.471 42.059 0.003 0.000 1.184 118 L HN 0.184 nan 8.230 nan 0.000 0.429 119 V N 5.693 125.568 119.914 -0.065 0.000 2.357 119 V HA 0.515 4.635 4.120 -0.000 0.000 0.284 119 V C -0.225 175.794 176.094 -0.125 0.000 1.018 119 V CA -0.796 61.441 62.300 -0.104 0.000 0.841 119 V CB 1.318 33.098 31.823 -0.072 0.000 0.991 119 V HN 0.714 nan 8.190 nan 0.000 0.437 120 N N 3.327 121.918 118.700 -0.183 0.000 2.362 120 N HA 0.703 5.443 4.740 -0.000 0.000 0.298 120 N C -1.111 174.191 175.510 -0.347 0.000 1.048 120 N CA -0.323 52.517 53.050 -0.349 0.000 0.858 120 N CB 2.632 40.928 38.487 -0.318 0.000 1.218 120 N HN 0.395 nan 8.380 nan 0.000 0.488 121 V N 3.000 122.646 119.914 -0.447 0.000 2.555 121 V HA 0.290 4.410 4.120 -0.000 0.000 0.283 121 V C 0.113 176.104 176.094 -0.171 0.000 1.020 121 V CA -0.647 61.514 62.300 -0.231 0.000 0.883 121 V CB 1.234 32.978 31.823 -0.131 0.000 1.030 121 V HN 0.554 nan 8.190 nan 0.000 0.448 122 I N 5.533 126.079 120.570 -0.038 0.000 2.578 122 I HA 0.099 4.269 4.170 -0.000 0.000 0.286 122 I C 0.455 176.615 176.117 0.071 0.000 1.126 122 I CA 0.448 61.811 61.300 0.105 0.000 1.380 122 I CB 0.199 38.249 38.000 0.083 0.000 1.408 122 I HN 0.433 nan 8.210 nan 0.000 0.532 123 L N 6.968 128.247 121.223 0.093 0.000 2.479 123 L HA 0.181 4.521 4.340 -0.000 0.000 0.248 123 L C 1.700 178.626 176.870 0.093 0.000 1.205 123 L CA -0.397 54.498 54.840 0.092 0.000 0.817 123 L CB 0.338 42.452 42.059 0.092 0.000 1.162 123 L HN 0.577 nan 8.230 nan 0.000 0.486 124 K N 0.576 121.025 120.400 0.082 0.000 1.991 124 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 124 K C 1.610 178.269 176.600 0.099 0.000 1.049 124 K CA 2.225 58.559 56.287 0.078 0.000 0.932 124 K CB -0.260 32.277 32.500 0.062 0.000 0.717 124 K HN 0.839 nan 8.250 nan 0.000 0.441 125 D N -1.377 119.083 120.400 0.100 0.000 2.203 125 D HA -0.163 4.477 4.640 -0.000 0.000 0.199 125 D C 1.105 177.499 176.300 0.158 0.000 0.997 125 D CA 1.842 55.909 54.000 0.111 0.000 0.863 125 D CB -0.163 40.695 40.800 0.096 0.000 0.928 125 D HN 0.430 nan 8.370 nan 0.000 0.458 126 G N -1.764 107.157 108.800 0.201 0.000 2.227 126 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.168 126 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.168 126 G C 0.218 175.344 174.900 0.378 0.000 1.006 126 G CA 0.065 45.374 45.100 0.347 0.000 0.684 126 G HN 0.440 nan 8.290 nan 0.000 0.489 127 S N -0.331 115.522 115.700 0.255 0.000 2.600 127 S HA 0.613 5.083 4.470 -0.000 0.000 0.265 127 S C -0.451 174.344 174.600 0.325 0.000 1.325 127 S CA 0.105 58.454 58.200 0.249 0.000 1.002 127 S CB 1.182 64.481 63.200 0.165 0.000 0.921 127 S HN 0.752 nan 8.310 nan 0.000 0.554 128 F N 2.204 122.235 119.950 0.134 0.000 2.531 128 F HA 0.398 4.925 4.527 -0.000 0.000 0.333 128 F C -0.604 175.253 175.800 0.094 0.000 1.292 128 F CA -1.047 57.014 58.000 0.102 0.000 1.184 128 F CB 0.107 39.164 39.000 0.096 0.000 1.426 128 F HN 0.370 nan 8.300 nan 0.000 0.559 129 L N 3.327 124.463 121.223 -0.144 0.000 2.514 129 L HA 0.289 4.628 4.340 -0.000 0.000 0.280 129 L C -0.219 176.518 176.870 -0.221 0.000 1.223 129 L CA 1.028 55.813 54.840 -0.092 0.000 0.864 129 L CB 0.566 42.600 42.059 -0.042 0.000 1.118 129 L HN 0.518 nan 8.230 nan 0.000 0.494 130 T N 6.516 121.073 114.554 0.004 0.000 2.864 130 T HA 0.482 4.832 4.350 -0.000 0.000 0.299 130 T C -0.269 174.542 174.700 0.184 0.000 1.011 130 T CA -0.441 61.683 62.100 0.041 0.000 0.975 130 T CB 0.622 69.553 68.868 0.106 0.000 0.962 130 T HN 0.441 nan 8.240 nan 0.000 0.448 131 L N 3.267 124.559 121.223 0.116 0.000 2.295 131 L HA 0.491 4.831 4.340 -0.000 0.000 0.285 131 L C 0.203 177.167 176.870 0.156 0.000 1.035 131 L CA -0.660 54.295 54.840 0.191 0.000 0.806 131 L CB 1.448 43.595 42.059 0.146 0.000 1.214 131 L HN 0.512 nan 8.230 nan 0.000 0.426 132 Q N 5.325 125.259 119.800 0.223 0.000 2.394 132 Q HA 0.469 4.809 4.340 -0.000 0.000 0.261 132 Q C -1.310 174.750 176.000 0.100 0.000 1.023 132 Q CA -0.355 55.535 55.803 0.145 0.000 0.720 132 Q CB 2.213 31.063 28.738 0.186 0.000 1.241 132 Q HN 0.537 nan 8.270 nan 0.000 0.483 133 L N 4.150 125.364 121.223 -0.015 0.000 2.276 133 L HA 0.456 4.796 4.340 -0.000 0.000 0.286 133 L C -2.325 174.515 176.870 -0.050 0.000 1.024 133 L CA -2.218 52.569 54.840 -0.089 0.000 0.826 133 L CB 1.094 43.017 42.059 -0.228 0.000 1.211 133 L HN 0.213 nan 8.230 nan 0.000 0.422 134 P HA -0.024 nan 4.420 nan 0.000 0.267 134 P C 0.668 178.008 177.300 0.066 0.000 1.209 134 P CA -0.248 62.876 63.100 0.041 0.000 0.763 134 P CB 0.823 32.558 31.700 0.058 0.000 0.816 135 L N 4.463 125.722 121.223 0.061 0.000 2.137 135 L HA -0.278 4.062 4.340 -0.000 0.000 0.213 135 L C 2.174 179.158 176.870 0.190 0.000 1.085 135 L CA 2.513 57.419 54.840 0.110 0.000 0.760 135 L CB -1.133 41.003 42.059 0.129 0.000 0.893 135 L HN 0.417 nan 8.230 nan 0.000 0.434 136 S N -1.229 114.568 115.700 0.161 0.000 2.343 136 S HA -0.287 4.183 4.470 -0.000 0.000 0.219 136 S C 2.094 176.777 174.600 0.139 0.000 1.033 136 S CA 1.181 59.485 58.200 0.174 0.000 1.014 136 S CB -1.439 61.837 63.200 0.127 0.000 0.915 136 S HN 0.412 nan 8.310 nan 0.000 0.435 137 F N 2.798 122.730 119.950 -0.030 0.000 2.141 137 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 137 F C 1.916 177.624 175.800 -0.153 0.000 1.079 137 F CA 1.438 59.386 58.000 -0.087 0.000 1.264 137 F CB -0.516 38.407 39.000 -0.128 0.000 1.011 137 F HN 0.185 nan 8.300 nan 0.000 0.487 138 L N -1.553 119.500 121.223 -0.283 0.000 2.201 138 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 138 L C 1.401 177.795 176.870 -0.794 0.000 1.105 138 L CA 0.998 55.462 54.840 -0.626 0.000 0.775 138 L CB -0.554 41.048 42.059 -0.761 0.000 0.913 138 L HN 0.103 nan 8.230 nan 0.000 0.440 139 F N -1.446 118.434 119.950 -0.117 0.000 2.661 139 F HA 0.145 4.672 4.527 -0.000 0.000 0.306 139 F C 1.622 177.370 175.800 -0.086 0.000 1.094 139 F CA -0.462 57.493 58.000 -0.075 0.000 1.254 139 F CB -0.170 38.812 39.000 -0.030 0.000 1.040 139 F HN -0.056 nan 8.300 nan 0.000 0.562 140 S N -1.212 114.460 115.700 -0.045 0.000 2.546 140 S HA 0.236 4.706 4.470 -0.000 0.000 0.265 140 S C 1.333 175.876 174.600 -0.095 0.000 1.190 140 S CA 0.274 58.447 58.200 -0.046 0.000 1.014 140 S CB 1.102 64.269 63.200 -0.055 0.000 1.087 140 S HN 0.010 nan 8.310 nan 0.000 0.525 141 S N -1.013 114.644 115.700 -0.072 0.000 2.559 141 S HA 0.476 4.946 4.470 -0.000 0.000 0.226 141 S C 0.661 175.215 174.600 -0.076 0.000 1.030 141 S CA 0.101 58.261 58.200 -0.066 0.000 0.956 141 S CB -0.823 62.364 63.200 -0.021 0.000 0.900 141 S HN 1.071 nan 8.310 nan 0.000 0.510 142 A N 1.733 124.514 122.820 -0.065 0.000 2.565 142 A HA 0.206 4.525 4.320 -0.000 0.000 0.237 142 A C 0.430 178.022 177.584 0.013 0.000 1.053 142 A CA 0.322 52.371 52.037 0.020 0.000 0.755 142 A CB -0.146 18.948 19.000 0.157 0.000 0.980 142 A HN 0.553 nan 8.150 nan 0.000 0.506 143 N N 0.104 118.855 118.700 0.085 0.000 2.204 143 N HA 0.188 4.928 4.740 -0.000 0.000 0.219 143 N C -0.753 174.851 175.510 0.157 0.000 1.151 143 N CA 0.298 53.405 53.050 0.095 0.000 0.867 143 N CB 0.954 39.471 38.487 0.050 0.000 1.043 143 N HN 0.584 nan 8.380 nan 0.000 0.516 144 T N 0.066 114.745 114.554 0.209 0.000 2.906 144 T HA 0.551 4.901 4.350 -0.000 0.000 0.295 144 T C -1.545 173.173 174.700 0.030 0.000 1.061 144 T CA -0.515 61.650 62.100 0.107 0.000 1.000 144 T CB 2.248 71.159 68.868 0.072 0.000 1.103 144 T HN -0.163 nan 8.240 nan 0.000 0.486 145 L N 3.020 124.121 121.223 -0.203 0.000 2.438 145 L HA 0.584 4.924 4.340 -0.000 0.000 0.270 145 L C -1.207 175.573 176.870 -0.149 0.000 0.972 145 L CA -0.565 54.005 54.840 -0.449 0.000 0.831 145 L CB 1.758 43.165 42.059 -1.086 0.000 1.273 145 L HN 0.535 nan 8.230 nan 0.000 0.405 146 N N 3.086 121.740 118.700 -0.077 0.000 2.489 146 N HA 0.805 5.545 4.740 -0.000 0.000 0.284 146 N C 0.260 175.809 175.510 0.065 0.000 1.158 146 N CA 0.300 53.363 53.050 0.023 0.000 0.965 146 N CB 1.682 40.180 38.487 0.017 0.000 1.195 146 N HN 0.965 nan 8.380 nan 0.000 0.506 147 G N 0.795 109.639 108.800 0.072 0.000 2.615 147 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 147 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 147 G C -1.250 173.670 174.900 0.034 0.000 1.339 147 G CA -0.649 44.480 45.100 0.048 0.000 0.884 147 G HN 0.607 nan 8.290 nan 0.000 0.559 148 E N 1.424 121.589 120.200 -0.059 0.000 2.042 148 E HA 0.261 4.611 4.350 -0.000 0.000 0.260 148 E C 0.913 177.398 176.600 -0.192 0.000 0.975 148 E CA -0.540 55.675 56.400 -0.309 0.000 0.799 148 E CB 0.257 29.690 29.700 -0.446 0.000 1.131 148 E HN 0.622 nan 8.360 nan 0.000 0.423 149 W N 3.418 124.640 121.300 -0.129 0.000 3.256 149 W HA 0.176 4.836 4.660 -0.000 0.000 0.269 149 W C -0.185 176.416 176.519 0.136 0.000 1.310 149 W CA -0.500 56.846 57.345 0.001 0.000 1.673 149 W CB -0.749 28.697 29.460 -0.024 0.000 1.115 149 W HN 0.229 nan 8.180 nan 0.000 0.686 150 F N 0.798 120.408 119.950 -0.567 0.000 2.650 150 F HA 0.568 5.095 4.527 -0.000 0.000 0.310 150 F C -1.856 173.620 175.800 -0.541 0.000 1.112 150 F CA -1.675 56.074 58.000 -0.419 0.000 0.986 150 F CB 0.664 39.301 39.000 -0.604 0.000 1.285 150 F HN -0.137 nan 8.300 nan 0.000 0.440 151 H N 4.116 123.131 119.070 -0.092 0.000 3.078 151 H HA 0.498 5.054 4.556 -0.000 0.000 0.319 151 H C -0.732 174.606 175.328 0.016 0.000 0.995 151 H CA -0.875 55.091 56.048 -0.137 0.000 1.417 151 H CB 1.357 31.059 29.762 -0.100 0.000 1.598 151 H HN 0.780 nan 8.280 nan 0.000 0.515 152 L N 2.329 123.637 121.223 0.143 0.000 2.452 152 L HA 0.315 4.655 4.340 -0.000 0.000 0.267 152 L C 0.209 177.155 176.870 0.127 0.000 1.188 152 L CA 0.250 55.180 54.840 0.151 0.000 0.821 152 L CB 0.821 42.964 42.059 0.141 0.000 1.102 152 L HN 0.638 nan 8.230 nan 0.000 0.470 153 Q N 1.907 121.806 119.800 0.166 0.000 2.438 153 Q HA 0.263 4.603 4.340 -0.000 0.000 0.272 153 Q C -1.709 174.404 176.000 0.189 0.000 0.994 153 Q CA -0.691 55.203 55.803 0.151 0.000 0.887 153 Q CB 1.833 30.685 28.738 0.190 0.000 1.432 153 Q HN 0.581 nan 8.270 nan 0.000 0.392 154 N N 4.329 123.101 118.700 0.118 0.000 2.904 154 N HA 0.220 4.960 4.740 -0.000 0.000 0.257 154 N C -2.188 173.349 175.510 0.045 0.000 1.363 154 N CA -0.824 52.287 53.050 0.101 0.000 0.856 154 N CB 1.649 40.173 38.487 0.061 0.000 1.166 154 N HN 0.454 nan 8.380 nan 0.000 0.499 155 P HA -0.090 nan 4.420 nan 0.000 0.210 155 P C -0.083 177.191 177.300 -0.044 0.000 1.191 155 P CA 1.163 64.267 63.100 0.007 0.000 0.917 155 P CB 0.210 31.894 31.700 -0.027 0.000 0.778 156 Y N -0.388 119.701 120.300 -0.353 0.000 2.567 156 Y HA 0.406 4.956 4.550 -0.000 0.000 0.333 156 Y C -0.531 174.978 175.900 -0.650 0.000 1.106 156 Y CA -1.486 56.294 58.100 -0.534 0.000 1.157 156 Y CB 1.008 39.023 38.460 -0.741 0.000 1.277 156 Y HN -0.228 nan 8.280 nan 0.000 0.490 157 D N 2.416 122.129 120.400 -1.145 0.000 2.411 157 D HA 0.131 4.771 4.640 -0.000 0.000 0.225 157 D C -0.687 175.301 176.300 -0.521 0.000 1.156 157 D CA 0.073 53.658 54.000 -0.692 0.000 0.874 157 D CB -0.211 40.253 40.800 -0.560 0.000 1.034 157 D HN 0.395 nan 8.370 nan 0.000 0.502 158 F N 1.918 121.896 119.950 0.046 0.000 2.692 158 F HA 0.113 4.640 4.527 -0.000 0.000 0.303 158 F C 2.168 178.018 175.800 0.083 0.000 1.114 158 F CA -0.004 58.084 58.000 0.146 0.000 1.361 158 F CB -0.131 38.972 39.000 0.172 0.000 1.063 158 F HN 0.329 nan 8.300 nan 0.000 0.550 159 T N -0.675 113.966 114.554 0.145 0.000 2.904 159 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 159 T C 2.184 176.942 174.700 0.096 0.000 1.059 159 T CA 1.485 63.648 62.100 0.105 0.000 1.137 159 T CB -0.370 68.525 68.868 0.044 0.000 0.879 159 T HN 0.230 nan 8.240 nan 0.000 0.467 160 V N 0.297 120.257 119.914 0.077 0.000 2.325 160 V HA 0.203 4.323 4.120 -0.000 0.000 0.229 160 V C 0.888 177.067 176.094 0.141 0.000 1.062 160 V CA 0.285 62.634 62.300 0.082 0.000 1.039 160 V CB -0.656 31.189 31.823 0.038 0.000 0.667 160 V HN 0.128 nan 8.190 nan 0.000 0.474 161 R N 1.345 121.968 120.500 0.205 0.000 2.419 161 R HA 0.514 4.854 4.340 -0.000 0.000 0.305 161 R C -0.462 176.017 176.300 0.299 0.000 1.242 161 R CA -0.210 56.024 56.100 0.223 0.000 1.105 161 R CB 0.961 31.403 30.300 0.238 0.000 1.116 161 R HN 0.453 nan 8.270 nan 0.000 0.523 162 V N 5.711 125.744 119.914 0.199 0.000 2.540 162 V HA 0.117 4.237 4.120 -0.000 0.000 0.297 162 V C -1.767 174.385 176.094 0.097 0.000 1.024 162 V CA -1.393 61.009 62.300 0.170 0.000 1.105 162 V CB 0.691 32.580 31.823 0.109 0.000 0.938 162 V HN 0.580 nan 8.190 nan 0.000 0.482 163 P HA 0.325 nan 4.420 nan 0.000 0.278 163 P C -0.579 176.800 177.300 0.131 0.000 1.266 163 P CA 0.120 63.214 63.100 -0.010 0.000 0.807 163 P CB 1.025 32.486 31.700 -0.397 0.000 1.094 164 H N -1.352 117.746 119.070 0.046 0.000 3.854 164 H HA 0.301 4.857 4.556 -0.000 0.000 0.264 164 H C -1.393 174.094 175.328 0.265 0.000 1.170 164 H CA -0.115 55.997 56.048 0.107 0.000 1.167 164 H CB 0.168 29.967 29.762 0.062 0.000 1.558 164 H HN 0.267 nan 8.280 nan 0.000 0.751 165 F N 2.440 122.276 119.950 -0.189 0.000 2.915 165 F HA 0.460 4.987 4.527 -0.000 0.000 0.350 165 F C -1.913 173.983 175.800 0.161 0.000 1.248 165 F CA -1.639 56.288 58.000 -0.122 0.000 1.084 165 F CB 1.156 39.900 39.000 -0.426 0.000 1.391 165 F HN 0.031 nan 8.300 nan 0.000 0.548 166 L N 6.970 128.225 121.223 0.053 0.000 2.326 166 L HA 0.594 4.934 4.340 -0.000 0.000 0.278 166 L C -1.722 175.046 176.870 -0.171 0.000 1.092 166 L CA -0.243 54.567 54.840 -0.050 0.000 0.810 166 L CB 0.989 43.083 42.059 0.059 0.000 1.153 166 L HN 0.538 nan 8.230 nan 0.000 0.439 167 F N 5.361 125.130 119.950 -0.301 0.000 2.612 167 F HA 0.322 4.849 4.527 -0.000 0.000 0.332 167 F C -0.984 174.752 175.800 -0.107 0.000 1.167 167 F CA -0.747 57.106 58.000 -0.245 0.000 0.970 167 F CB 0.762 39.595 39.000 -0.279 0.000 1.234 167 F HN 0.543 nan 8.300 nan 0.000 0.453 168 Y N 5.239 125.150 120.300 -0.648 0.000 2.457 168 Y HA 0.371 4.921 4.550 -0.000 0.000 0.341 168 Y C 0.038 175.564 175.900 -0.624 0.000 1.240 168 Y CA 0.635 58.437 58.100 -0.496 0.000 1.437 168 Y CB 1.059 39.301 38.460 -0.363 0.000 1.328 168 Y HN 0.500 nan 8.280 nan 0.000 0.588 169 V N 1.410 120.825 119.914 -0.831 0.000 3.155 169 V HA 0.222 4.342 4.120 -0.000 0.000 0.225 169 V C -0.340 175.386 176.094 -0.613 0.000 1.462 169 V CA 0.553 62.548 62.300 -0.509 0.000 1.270 169 V CB 0.552 32.103 31.823 -0.454 0.000 1.112 169 V HN 0.663 nan 8.190 nan 0.000 0.479 170 S N -0.882 114.208 115.700 -1.018 0.000 2.587 170 S HA 0.434 4.904 4.470 -0.000 0.000 0.269 170 S C -2.490 171.759 174.600 -0.584 0.000 1.154 170 S CA -0.497 57.340 58.200 -0.605 0.000 0.824 170 S CB 2.049 65.158 63.200 -0.152 0.000 1.118 170 S HN -0.054 nan 8.310 nan 0.000 0.462 171 P HA -0.206 nan 4.420 nan 0.000 0.217 171 P C 1.276 178.652 177.300 0.127 0.000 1.151 171 P CA 1.415 64.607 63.100 0.152 0.000 0.849 171 P CB 0.188 31.966 31.700 0.130 0.000 0.787 172 Q N -2.454 117.395 119.800 0.082 0.000 2.402 172 Q HA 0.086 4.426 4.340 -0.000 0.000 0.231 172 Q C 0.166 176.330 176.000 0.274 0.000 0.888 172 Q CA 0.452 56.336 55.803 0.135 0.000 0.938 172 Q CB -0.240 28.535 28.738 0.061 0.000 1.086 172 Q HN 0.224 nan 8.270 nan 0.000 0.543 173 F N 2.964 122.901 119.950 -0.022 0.000 2.467 173 F HA 0.609 5.136 4.527 -0.000 0.000 0.336 173 F C -1.106 174.624 175.800 -0.115 0.000 1.123 173 F CA -1.303 56.686 58.000 -0.018 0.000 0.964 173 F CB 1.838 40.830 39.000 -0.012 0.000 1.136 173 F HN 0.092 nan 8.300 nan 0.000 0.447 174 S N 5.975 121.371 115.700 -0.507 0.000 2.563 174 S HA 0.613 5.083 4.470 -0.000 0.000 0.279 174 S C -0.959 173.397 174.600 -0.407 0.000 1.155 174 S CA -0.555 57.291 58.200 -0.591 0.000 0.928 174 S CB 0.536 63.563 63.200 -0.289 0.000 1.107 174 S HN 1.151 nan 8.310 nan 0.000 0.462 175 V N 1.077 120.752 119.914 -0.398 0.000 3.214 175 V HA 0.911 5.031 4.120 -0.000 0.000 0.306 175 V C -0.290 175.604 176.094 -0.333 0.000 1.078 175 V CA -0.471 61.647 62.300 -0.303 0.000 1.077 175 V CB 1.116 32.635 31.823 -0.506 0.000 1.121 175 V HN 0.889 nan 8.190 nan 0.000 0.468 176 V N 2.003 121.671 119.914 -0.409 0.000 2.588 176 V HA 0.523 4.643 4.120 -0.000 0.000 0.304 176 V C -0.838 174.979 176.094 -0.461 0.000 1.042 176 V CA -0.218 61.901 62.300 -0.302 0.000 0.877 176 V CB 1.479 33.232 31.823 -0.117 0.000 0.996 176 V HN 0.777 nan 8.190 nan 0.000 0.425 177 F N 4.470 124.382 119.950 -0.064 0.000 2.427 177 F HA 0.624 5.151 4.527 -0.000 0.000 0.346 177 F C 0.149 176.075 175.800 0.209 0.000 1.120 177 F CA -0.467 57.559 58.000 0.044 0.000 1.033 177 F CB 1.410 40.477 39.000 0.112 0.000 1.126 177 F HN 0.197 nan 8.300 nan 0.000 0.462 178 L N 3.261 124.639 121.223 0.259 0.000 2.360 178 L HA 0.329 4.669 4.340 -0.000 0.000 0.271 178 L C 1.413 178.223 176.870 -0.100 0.000 1.057 178 L CA -0.449 54.465 54.840 0.122 0.000 0.803 178 L CB 1.198 43.277 42.059 0.033 0.000 1.207 178 L HN 0.664 nan 8.230 nan 0.000 0.445 179 E N 0.935 120.967 120.200 -0.281 0.000 2.160 179 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 179 E C 0.920 177.023 176.600 -0.829 0.000 0.991 179 E CA 1.605 57.652 56.400 -0.587 0.000 0.810 179 E CB 0.043 29.516 29.700 -0.377 0.000 0.742 179 E HN 0.767 nan 8.360 nan 0.000 0.466 180 D N -0.976 118.993 120.400 -0.718 0.000 2.347 180 D HA -0.023 4.617 4.640 -0.000 0.000 0.215 180 D C 1.376 177.487 176.300 -0.315 0.000 0.976 180 D CA 1.050 54.518 54.000 -0.886 0.000 0.884 180 D CB 0.296 40.911 40.800 -0.309 0.000 0.915 180 D HN 0.247 nan 8.370 nan 0.000 0.526 181 G N -1.107 107.592 108.800 -0.169 0.000 2.296 181 G HA2 -0.081 3.878 3.960 -0.000 0.000 0.188 181 G HA3 -0.081 3.878 3.960 -0.000 0.000 0.188 181 G C 0.624 175.568 174.900 0.074 0.000 1.000 181 G CA -0.124 44.982 45.100 0.011 0.000 0.672 181 G HN 0.714 nan 8.290 nan 0.000 0.483 182 G N 0.320 109.137 108.800 0.029 0.000 2.467 182 G HA2 0.570 4.530 3.960 -0.000 0.000 0.257 182 G HA3 0.570 4.530 3.960 -0.000 0.000 0.257 182 G C 0.082 174.939 174.900 -0.072 0.000 1.227 182 G CA -0.387 44.716 45.100 0.006 0.000 0.835 182 G HN 0.740 nan 8.290 nan 0.000 0.556 183 L N 2.184 123.279 121.223 -0.213 0.000 2.294 183 L HA 0.386 4.726 4.340 -0.000 0.000 0.283 183 L C -0.178 176.574 176.870 -0.196 0.000 1.015 183 L CA -0.822 53.728 54.840 -0.483 0.000 0.831 183 L CB 1.244 42.645 42.059 -1.097 0.000 1.217 183 L HN 0.296 nan 8.230 nan 0.000 0.420 184 L N 2.148 123.275 121.223 -0.160 0.000 2.454 184 L HA 0.792 5.132 4.340 -0.000 0.000 0.256 184 L C 0.561 177.548 176.870 0.195 0.000 1.136 184 L CA 0.284 55.102 54.840 -0.036 0.000 0.804 184 L CB 1.660 43.613 42.059 -0.176 0.000 1.181 184 L HN 0.583 nan 8.230 nan 0.000 0.469 185 G N 1.357 110.243 108.800 0.144 0.000 2.568 185 G HA2 0.626 4.586 3.960 -0.000 0.000 0.313 185 G HA3 0.626 4.586 3.960 -0.000 0.000 0.313 185 G C -1.951 173.041 174.900 0.153 0.000 1.227 185 G CA -0.365 44.891 45.100 0.259 0.000 0.979 185 G HN 0.460 nan 8.290 nan 0.000 0.486 186 L N 0.661 122.077 121.223 0.322 0.000 2.628 186 L HA 0.338 4.678 4.340 -0.000 0.000 0.258 186 L C -0.194 176.922 176.870 0.410 0.000 1.027 186 L CA -0.636 54.315 54.840 0.185 0.000 0.910 186 L CB 1.380 43.384 42.059 -0.091 0.000 1.157 186 L HN 0.751 nan 8.230 nan 0.000 0.452 187 K N 1.840 122.392 120.400 0.253 0.000 2.156 187 K HA 0.580 4.900 4.320 -0.000 0.000 0.271 187 K C -0.543 176.138 176.600 0.134 0.000 0.995 187 K CA -0.765 55.629 56.287 0.179 0.000 0.890 187 K CB 2.178 34.640 32.500 -0.064 0.000 1.073 187 K HN 0.241 nan 8.250 nan 0.000 0.454 188 K N 3.065 123.488 120.400 0.038 0.000 2.183 188 K HA 0.136 4.456 4.320 -0.000 0.000 0.274 188 K C 0.135 176.656 176.600 -0.133 0.000 1.009 188 K CA -0.609 55.533 56.287 -0.242 0.000 0.888 188 K CB 1.431 33.728 32.500 -0.340 0.000 1.078 188 K HN 0.603 nan 8.250 nan 0.000 0.459 189 V N 3.344 123.177 119.914 -0.135 0.000 2.423 189 V HA -0.141 3.979 4.120 -0.000 0.000 0.233 189 V C 1.714 177.751 176.094 -0.094 0.000 1.067 189 V CA 1.261 63.503 62.300 -0.096 0.000 1.073 189 V CB -0.341 31.430 31.823 -0.085 0.000 0.715 189 V HN 0.928 nan 8.190 nan 0.000 0.485 190 D N 0.874 121.215 120.400 -0.098 0.000 2.083 190 D HA 0.032 4.672 4.640 -0.000 0.000 0.225 190 D C 1.446 177.696 176.300 -0.083 0.000 0.974 190 D CA 1.758 55.708 54.000 -0.084 0.000 0.906 190 D CB -0.169 40.580 40.800 -0.085 0.000 1.028 190 D HN 0.485 nan 8.370 nan 0.000 0.446 191 G N -1.534 107.213 108.800 -0.088 0.000 3.912 191 G HA2 0.272 4.232 3.960 -0.000 0.000 0.203 191 G HA3 0.272 4.232 3.960 -0.000 0.000 0.203 191 G C 0.632 175.437 174.900 -0.158 0.000 1.112 191 G CA 0.231 45.268 45.100 -0.105 0.000 0.871 191 G HN 0.327 nan 8.290 nan 0.000 0.549 192 V N -0.015 119.820 119.914 -0.132 0.000 3.309 192 V HA 0.299 4.419 4.120 -0.000 0.000 0.268 192 V C 0.017 176.006 176.094 -0.175 0.000 1.631 192 V CA -0.003 62.188 62.300 -0.181 0.000 1.018 192 V CB 0.289 32.048 31.823 -0.107 0.000 0.841 192 V HN 0.224 nan 8.190 nan 0.000 0.418 193 H N -0.451 118.474 119.070 -0.241 0.000 2.458 193 H HA 0.689 5.245 4.556 -0.000 0.000 0.330 193 H C -1.342 173.816 175.328 -0.283 0.000 1.111 193 H CA -0.518 55.436 56.048 -0.157 0.000 1.245 193 H CB 0.905 30.619 29.762 -0.081 0.000 1.456 193 H HN 0.155 nan 8.280 nan 0.000 0.488 194 Y N 0.704 121.036 120.300 0.053 0.000 2.393 194 Y HA 0.367 4.917 4.550 -0.000 0.000 0.341 194 Y C -0.052 175.832 175.900 -0.026 0.000 0.988 194 Y CA -0.714 57.378 58.100 -0.012 0.000 1.078 194 Y CB 1.710 40.096 38.460 -0.123 0.000 1.203 194 Y HN 0.575 nan 8.280 nan 0.000 0.453 195 E N 4.588 124.862 120.200 0.124 0.000 2.224 195 E HA 0.297 4.647 4.350 -0.000 0.000 0.265 195 E C -2.749 173.855 176.600 0.007 0.000 0.878 195 E CA -2.550 53.874 56.400 0.041 0.000 0.759 195 E CB 1.892 31.591 29.700 -0.001 0.000 1.164 195 E HN 0.242 nan 8.360 nan 0.000 0.414 196 P HA 0.012 nan 4.420 nan 0.000 0.268 196 P C -0.474 176.761 177.300 -0.109 0.000 1.282 196 P CA 0.249 63.315 63.100 -0.058 0.000 0.880 196 P CB 0.240 31.905 31.700 -0.058 0.000 0.971 197 L N 5.097 126.227 121.223 -0.154 0.000 2.389 197 L HA 0.224 4.564 4.340 -0.000 0.000 0.265 197 L C 0.954 177.593 176.870 -0.384 0.000 1.167 197 L CA -0.752 53.906 54.840 -0.303 0.000 1.045 197 L CB -0.068 41.732 42.059 -0.431 0.000 1.351 197 L HN 0.248 nan 8.230 nan 0.000 0.419 198 L N 2.308 123.381 121.223 -0.251 0.000 2.525 198 L HA 0.024 4.364 4.340 -0.000 0.000 0.278 198 L C -0.048 176.720 176.870 -0.170 0.000 1.218 198 L CA 0.409 55.159 54.840 -0.151 0.000 0.878 198 L CB 0.131 42.147 42.059 -0.070 0.000 1.127 198 L HN 0.249 nan 8.230 nan 0.000 0.492 199 F N 1.849 121.780 119.950 -0.031 0.000 2.378 199 F HA 0.243 4.770 4.527 -0.000 0.000 0.325 199 F C 0.745 176.585 175.800 0.067 0.000 1.097 199 F CA -1.136 56.884 58.000 0.034 0.000 1.079 199 F CB 0.400 39.302 39.000 -0.164 0.000 1.240 199 F HN 0.507 nan 8.300 nan 0.000 0.519 200 N N 1.467 120.392 118.700 0.375 0.000 2.475 200 N HA 0.030 4.770 4.740 -0.000 0.000 0.267 200 N C -1.327 174.420 175.510 0.394 0.000 1.169 200 N CA -0.051 53.188 53.050 0.314 0.000 0.947 200 N CB 1.471 40.130 38.487 0.288 0.000 1.061 200 N HN 0.639 nan 8.380 nan 0.000 0.466 201 D N 1.636 122.235 120.400 0.332 0.000 2.736 201 D HA 0.225 4.865 4.640 -0.000 0.000 0.243 201 D C -0.747 175.789 176.300 0.394 0.000 1.304 201 D CA -0.429 53.792 54.000 0.368 0.000 0.934 201 D CB 0.913 41.905 40.800 0.321 0.000 1.382 201 D HN 0.484 nan 8.370 nan 0.000 0.571 202 N N 1.351 120.171 118.700 0.200 0.000 2.177 202 N HA 0.020 4.760 4.740 -0.000 0.000 0.218 202 N C 0.781 176.121 175.510 -0.283 0.000 1.182 202 N CA -0.116 52.864 53.050 -0.117 0.000 0.882 202 N CB 0.865 39.290 38.487 -0.103 0.000 1.052 202 N HN 0.180 nan 8.380 nan 0.000 0.519 203 S N 0.535 116.210 115.700 -0.042 0.000 2.547 203 S HA -0.107 4.363 4.470 -0.000 0.000 0.235 203 S C 1.558 176.111 174.600 -0.078 0.000 0.980 203 S CA 0.369 58.525 58.200 -0.074 0.000 0.941 203 S CB -0.351 62.857 63.200 0.013 0.000 0.763 203 S HN 0.598 nan 8.310 nan 0.000 0.532 204 Y N 0.374 120.682 120.300 0.014 0.000 2.457 204 Y HA 0.291 4.841 4.550 -0.000 0.000 0.292 204 Y C 1.432 177.337 175.900 0.007 0.000 1.125 204 Y CA 0.141 58.254 58.100 0.022 0.000 1.254 204 Y CB -0.766 37.726 38.460 0.053 0.000 1.012 204 Y HN 0.086 nan 8.280 nan 0.000 0.555 205 L N 0.884 121.714 121.223 -0.655 0.000 2.549 205 L HA -0.118 4.222 4.340 -0.000 0.000 0.230 205 L C 1.737 178.518 176.870 -0.149 0.000 1.162 205 L CA 1.119 55.727 54.840 -0.386 0.000 0.834 205 L CB -0.468 41.309 42.059 -0.470 0.000 0.947 205 L HN 0.269 nan 8.230 nan 0.000 0.452 206 K N -0.211 120.095 120.400 -0.156 0.000 2.555 206 K HA -0.103 4.217 4.320 -0.000 0.000 0.193 206 K C 2.064 178.668 176.600 0.006 0.000 1.032 206 K CA 1.008 57.206 56.287 -0.148 0.000 1.004 206 K CB -0.275 31.987 32.500 -0.396 0.000 0.804 206 K HN 0.568 nan 8.250 nan 0.000 0.496 207 C N -0.726 118.610 119.300 0.060 0.000 2.456 207 C HA 0.127 4.587 4.460 -0.000 0.000 0.279 207 C C 1.971 177.028 174.990 0.113 0.000 1.427 207 C CA -0.273 58.832 59.018 0.145 0.000 1.778 207 C CB -1.066 26.767 27.740 0.156 0.000 1.842 207 C HN 0.326 nan 8.230 nan 0.000 0.531 208 L N 1.504 122.771 121.223 0.073 0.000 2.551 208 L HA 0.034 4.374 4.340 -0.000 0.000 0.228 208 L C 1.022 177.916 176.870 0.041 0.000 1.153 208 L CA 0.534 55.401 54.840 0.046 0.000 0.851 208 L CB -0.829 41.245 42.059 0.025 0.000 0.959 208 L HN 0.390 nan 8.230 nan 0.000 0.451 209 T N -0.409 114.200 114.554 0.092 0.000 2.909 209 T HA 0.151 4.501 4.350 -0.000 0.000 0.286 209 T C 1.250 175.901 174.700 -0.082 0.000 1.002 209 T CA -0.672 61.473 62.100 0.075 0.000 1.074 209 T CB 1.468 70.532 68.868 0.326 0.000 0.984 209 T HN 0.305 nan 8.240 nan 0.000 0.495 210 R N 0.679 120.929 120.500 -0.416 0.000 2.357 210 R HA 0.029 4.369 4.340 -0.000 0.000 0.202 210 R C 0.163 176.043 176.300 -0.699 0.000 1.047 210 R CA 1.162 56.925 56.100 -0.562 0.000 1.034 210 R CB -0.488 29.399 30.300 -0.687 0.000 0.875 210 R HN 0.465 nan 8.270 nan 0.000 0.473 211 F N -0.201 119.715 119.950 -0.056 0.000 2.704 211 F HA 0.392 4.919 4.527 -0.000 0.000 0.304 211 F C -0.212 175.119 175.800 -0.781 0.000 1.094 211 F CA -0.681 57.082 58.000 -0.396 0.000 1.275 211 F CB 0.434 39.163 39.000 -0.452 0.000 1.073 211 F HN -0.163 nan 8.300 nan 0.000 0.586 212 F N -1.251 118.746 119.950 0.078 0.000 2.596 212 F HA 0.528 5.055 4.527 -0.000 0.000 0.311 212 F C -0.195 175.613 175.800 0.014 0.000 1.116 212 F CA -1.290 56.739 58.000 0.049 0.000 0.957 212 F CB 1.645 40.687 39.000 0.070 0.000 1.250 212 F HN -0.482 nan 8.300 nan 0.000 0.444 213 S N 1.796 117.590 115.700 0.157 0.000 2.519 213 S HA 0.422 4.892 4.470 -0.000 0.000 0.309 213 S C 0.831 175.479 174.600 0.079 0.000 1.100 213 S CA -0.967 57.285 58.200 0.086 0.000 1.059 213 S CB 2.015 65.228 63.200 0.022 0.000 1.008 213 S HN 0.672 nan 8.310 nan 0.000 0.478 214 R N 1.527 122.087 120.500 0.101 0.000 2.117 214 R HA -0.120 4.220 4.340 -0.000 0.000 0.243 214 R C 2.049 178.390 176.300 0.068 0.000 1.143 214 R CA 1.801 57.971 56.100 0.116 0.000 0.968 214 R CB -0.363 30.011 30.300 0.123 0.000 0.863 214 R HN 0.731 nan 8.270 nan 0.000 0.444 215 S N -0.107 115.615 115.700 0.037 0.000 2.603 215 S HA -0.003 4.467 4.470 -0.000 0.000 0.229 215 S C 0.823 175.399 174.600 -0.041 0.000 0.972 215 S CA -0.167 58.041 58.200 0.014 0.000 0.935 215 S CB 0.142 63.352 63.200 0.017 0.000 0.769 215 S HN 0.091 nan 8.310 nan 0.000 0.536 216 S N 0.990 116.633 115.700 -0.095 0.000 2.565 216 S HA 0.302 4.771 4.470 -0.000 0.000 0.274 216 S C 0.920 175.314 174.600 -0.343 0.000 1.309 216 S CA -0.722 57.379 58.200 -0.165 0.000 1.043 216 S CB 0.751 63.871 63.200 -0.133 0.000 0.939 216 S HN 0.459 nan 8.310 nan 0.000 0.504 217 K N 2.106 122.365 120.400 -0.236 0.000 2.366 217 K HA 0.040 4.360 4.320 -0.000 0.000 0.198 217 K C 1.251 177.674 176.600 -0.295 0.000 1.044 217 K CA 0.328 56.479 56.287 -0.227 0.000 0.973 217 K CB 0.007 32.462 32.500 -0.074 0.000 0.767 217 K HN 0.452 nan 8.250 nan 0.000 0.475 218 S N -0.417 115.125 115.700 -0.263 0.000 2.496 218 S HA 0.065 4.535 4.470 -0.000 0.000 0.260 218 S C -0.054 174.418 174.600 -0.213 0.000 1.122 218 S CA -0.243 57.857 58.200 -0.167 0.000 1.019 218 S CB 0.406 63.555 63.200 -0.085 0.000 1.226 218 S HN 0.268 nan 8.310 nan 0.000 0.502 219 D N -1.129 119.260 120.400 -0.019 0.000 2.531 219 D HA -0.194 4.446 4.640 -0.000 0.000 0.176 219 D C -0.294 176.141 176.300 0.225 0.000 1.217 219 D CA 1.669 55.775 54.000 0.177 0.000 1.125 219 D CB -1.443 39.484 40.800 0.212 0.000 1.148 219 D HN 0.638 nan 8.370 nan 0.000 0.430 220 Y N 0.667 121.026 120.300 0.098 0.000 2.712 220 Y HA 0.092 4.642 4.550 -0.000 0.000 0.333 220 Y C 1.220 177.142 175.900 0.038 0.000 1.225 220 Y CA 0.063 58.195 58.100 0.054 0.000 1.499 220 Y CB 0.437 38.906 38.460 0.015 0.000 1.288 220 Y HN -0.173 nan 8.280 nan 0.000 0.575 221 D N 2.118 122.635 120.400 0.195 0.000 2.886 221 D HA 0.109 4.749 4.640 -0.000 0.000 0.355 221 D C -0.707 175.642 176.300 0.083 0.000 1.274 221 D CA -0.360 53.706 54.000 0.110 0.000 0.836 221 D CB 0.003 40.846 40.800 0.071 0.000 1.109 221 D HN 0.407 nan 8.370 nan 0.000 0.488 222 S N -0.967 114.762 115.700 0.047 0.000 2.585 222 S HA 0.302 4.772 4.470 -0.000 0.000 0.273 222 S C 0.606 175.265 174.600 0.099 0.000 1.339 222 S CA -0.869 57.353 58.200 0.038 0.000 1.028 222 S CB 1.484 64.585 63.200 -0.164 0.000 0.906 222 S HN 0.062 nan 8.310 nan 0.000 0.528 223 V N 2.352 122.352 119.914 0.142 0.000 2.740 223 V HA 0.111 4.231 4.120 -0.000 0.000 0.303 223 V C 1.126 177.195 176.094 -0.042 0.000 1.054 223 V CA 0.263 62.548 62.300 -0.025 0.000 1.106 223 V CB 0.450 32.036 31.823 -0.394 0.000 0.957 223 V HN 0.932 nan 8.190 nan 0.000 0.486 224 I N 0.586 121.078 120.570 -0.130 0.000 4.327 224 I HA 0.467 4.637 4.170 -0.000 0.000 0.331 224 I C 0.478 176.441 176.117 -0.256 0.000 1.348 224 I CA 0.149 61.332 61.300 -0.194 0.000 1.152 224 I CB 0.738 38.697 38.000 -0.067 0.000 1.151 224 I HN 0.447 nan 8.210 nan 0.000 0.410 225 S N 0.273 115.862 115.700 -0.185 0.000 2.547 225 S HA 0.604 5.074 4.470 -0.000 0.000 0.270 225 S C -1.547 173.035 174.600 -0.030 0.000 1.150 225 S CA -0.634 57.519 58.200 -0.077 0.000 0.850 225 S CB 2.340 65.567 63.200 0.044 0.000 1.118 225 S HN 0.344 nan 8.310 nan 0.000 0.461 226 C N 2.994 122.340 119.300 0.077 0.000 3.006 226 C HA 0.769 5.229 4.460 -0.000 0.000 0.359 226 C C -2.224 172.737 174.990 -0.048 0.000 1.103 226 C CA -0.577 58.352 59.018 -0.148 0.000 1.286 226 C CB 1.037 28.463 27.740 -0.522 0.000 1.694 226 C HN 0.796 nan 8.230 nan 0.000 0.511 227 K N 4.280 124.652 120.400 -0.047 0.000 2.507 227 K HA 0.478 4.798 4.320 -0.000 0.000 0.251 227 K C -1.165 175.587 176.600 0.253 0.000 0.943 227 K CA -0.534 55.877 56.287 0.207 0.000 0.794 227 K CB 1.968 34.583 32.500 0.192 0.000 1.188 227 K HN 0.720 nan 8.250 nan 0.000 0.428 228 L N 4.165 125.687 121.223 0.498 0.000 2.313 228 L HA 0.382 4.722 4.340 -0.000 0.000 0.282 228 L C -0.845 176.277 176.870 0.420 0.000 1.092 228 L CA -0.075 55.024 54.840 0.431 0.000 0.831 228 L CB -0.047 42.295 42.059 0.473 0.000 1.159 228 L HN 0.450 nan 8.230 nan 0.000 0.442 229 F N 4.417 124.518 119.950 0.251 0.000 2.450 229 F HA 0.363 4.890 4.527 -0.000 0.000 0.332 229 F C 0.549 176.562 175.800 0.355 0.000 1.093 229 F CA -0.519 57.661 58.000 0.300 0.000 1.003 229 F CB 0.545 39.718 39.000 0.288 0.000 1.151 229 F HN 0.697 nan 8.300 nan 0.000 0.474 230 H N 4.119 122.817 119.070 -0.619 0.000 2.458 230 H HA -0.197 4.359 4.556 -0.000 0.000 0.322 230 H C 0.918 176.124 175.328 -0.203 0.000 1.038 230 H CA 1.135 56.898 56.048 -0.475 0.000 1.120 230 H CB -0.966 28.441 29.762 -0.592 0.000 1.489 230 H HN 0.643 nan 8.280 nan 0.000 0.399 231 E N -2.610 117.577 120.200 -0.021 0.000 3.449 231 E HA -0.387 3.963 4.350 -0.000 0.000 0.289 231 E C 1.752 178.338 176.600 -0.024 0.000 0.870 231 E CA 1.743 58.139 56.400 -0.006 0.000 0.946 231 E CB -0.564 29.113 29.700 -0.038 0.000 1.476 231 E HN 0.825 nan 8.360 nan 0.000 0.466 232 R N -0.783 119.660 120.500 -0.096 0.000 2.196 232 R HA 0.050 4.390 4.340 -0.000 0.000 0.186 232 R C 0.249 176.436 176.300 -0.189 0.000 1.163 232 R CA 0.100 56.051 56.100 -0.249 0.000 1.146 232 R CB 0.370 30.316 30.300 -0.589 0.000 1.113 232 R HN -0.006 nan 8.270 nan 0.000 0.513 233 Y N 1.483 121.915 120.300 0.220 0.000 2.359 233 Y HA 0.256 4.806 4.550 -0.000 0.000 0.330 233 Y C -0.081 175.966 175.900 0.245 0.000 1.143 233 Y CA -0.565 57.683 58.100 0.247 0.000 1.318 233 Y CB 0.683 39.326 38.460 0.306 0.000 1.234 233 Y HN 0.091 nan 8.280 nan 0.000 0.522 234 L N 5.447 126.880 121.223 0.351 0.000 2.371 234 L HA 0.472 4.812 4.340 -0.000 0.000 0.262 234 L C -1.133 175.862 176.870 0.208 0.000 1.054 234 L CA -0.624 54.351 54.840 0.225 0.000 0.924 234 L CB -0.451 41.692 42.059 0.140 0.000 1.295 234 L HN 0.427 nan 8.230 nan 0.000 0.441 235 I N 4.773 125.429 120.570 0.144 0.000 2.598 235 I HA 0.216 4.386 4.170 -0.000 0.000 0.284 235 I C 0.394 176.513 176.117 0.004 0.000 1.140 235 I CA 0.372 61.703 61.300 0.053 0.000 1.420 235 I CB 0.577 38.559 38.000 -0.030 0.000 1.387 235 I HN 0.379 nan 8.210 nan 0.000 0.553 236 V N 5.304 125.234 119.914 0.027 0.000 3.001 236 V HA 0.782 4.902 4.120 -0.000 0.000 0.314 236 V C -1.144 174.936 176.094 -0.023 0.000 1.099 236 V CA -1.051 61.236 62.300 -0.022 0.000 0.989 236 V CB 2.109 33.959 31.823 0.046 0.000 1.040 236 V HN 0.557 nan 8.190 nan 0.000 0.434 237 L N 3.671 124.863 121.223 -0.052 0.000 2.376 237 L HA 0.817 5.157 4.340 -0.000 0.000 0.275 237 L C 0.350 177.211 176.870 -0.015 0.000 0.987 237 L CA 0.356 55.180 54.840 -0.027 0.000 0.828 237 L CB 1.782 43.821 42.059 -0.033 0.000 1.249 237 L HN 1.179 nan 8.230 nan 0.000 0.409 238 T N 0.520 115.099 114.554 0.042 0.000 2.881 238 T HA 0.292 4.642 4.350 -0.000 0.000 0.278 238 T C 0.797 175.522 174.700 0.041 0.000 0.982 238 T CA -0.459 61.678 62.100 0.062 0.000 0.989 238 T CB 0.776 69.718 68.868 0.123 0.000 1.058 238 T HN 0.695 nan 8.240 nan 0.000 0.529 239 Q N 0.282 120.104 119.800 0.037 0.000 2.291 239 Q HA -0.055 4.285 4.340 -0.000 0.000 0.206 239 Q C 0.928 176.952 176.000 0.039 0.000 0.976 239 Q CA 0.864 56.668 55.803 0.002 0.000 0.875 239 Q CB -0.157 28.580 28.738 -0.002 0.000 0.927 239 Q HN 0.533 nan 8.270 nan 0.000 0.450 240 N N -0.261 118.514 118.700 0.125 0.000 2.251 240 N HA 0.100 4.840 4.740 -0.000 0.000 0.217 240 N C -0.461 175.272 175.510 0.372 0.000 1.124 240 N CA 0.067 53.248 53.050 0.219 0.000 0.843 240 N CB 0.397 39.029 38.487 0.241 0.000 1.024 240 N HN 0.132 nan 8.380 nan 0.000 0.501 241 C N 1.996 121.430 119.300 0.224 0.000 4.167 241 C HA -0.173 4.287 4.460 -0.000 0.000 0.302 241 C C 0.143 175.110 174.990 -0.039 0.000 1.384 241 C CA 0.066 59.112 59.018 0.047 0.000 2.041 241 C CB -2.711 24.988 27.740 -0.069 0.000 1.303 241 C HN 0.447 nan 8.230 nan 0.000 0.718 242 H N -0.391 118.711 119.070 0.053 0.000 2.467 242 H HA 0.427 4.983 4.556 -0.000 0.000 0.326 242 H C 0.040 175.384 175.328 0.027 0.000 1.094 242 H CA -0.322 55.756 56.048 0.049 0.000 1.253 242 H CB 1.414 31.203 29.762 0.045 0.000 1.439 242 H HN 0.332 nan 8.280 nan 0.000 0.479 243 L N 5.299 126.604 121.223 0.138 0.000 2.397 243 L HA 0.182 4.521 4.340 -0.000 0.000 0.263 243 L C -0.084 176.862 176.870 0.126 0.000 1.136 243 L CA -0.264 54.612 54.840 0.060 0.000 1.019 243 L CB -0.395 41.605 42.059 -0.099 0.000 1.352 243 L HN 0.354 nan 8.230 nan 0.000 0.420 244 K N 4.996 125.439 120.400 0.071 0.000 2.312 244 K HA 0.392 4.712 4.320 -0.000 0.000 0.287 244 K C -0.624 175.928 176.600 -0.080 0.000 1.062 244 K CA -0.089 56.171 56.287 -0.045 0.000 0.934 244 K CB 1.116 33.575 32.500 -0.069 0.000 1.027 244 K HN 0.475 nan 8.250 nan 0.000 0.478 245 I N 3.310 123.798 120.570 -0.137 0.000 2.321 245 I HA 0.232 4.402 4.170 -0.000 0.000 0.291 245 I C -0.640 175.394 176.117 -0.139 0.000 0.998 245 I CA -0.784 60.489 61.300 -0.045 0.000 1.227 245 I CB 0.712 38.731 38.000 0.031 0.000 1.368 245 I HN 0.419 nan 8.210 nan 0.000 0.466 246 W N 4.920 126.283 121.300 0.104 0.000 2.469 246 W HA 0.307 4.967 4.660 -0.000 0.000 0.320 246 W C 0.105 176.738 176.519 0.189 0.000 1.086 246 W CA -0.392 57.016 57.345 0.106 0.000 1.211 246 W CB 0.906 30.367 29.460 0.002 0.000 1.298 246 W HN 0.325 nan 8.180 nan 0.000 0.525 247 D N 3.356 124.017 120.400 0.434 0.000 2.373 247 D HA 0.168 4.808 4.640 -0.000 0.000 0.227 247 D C 0.587 177.000 176.300 0.188 0.000 1.091 247 D CA -0.144 54.059 54.000 0.339 0.000 0.840 247 D CB 1.221 42.223 40.800 0.337 0.000 1.060 247 D HN 0.437 nan 8.370 nan 0.000 0.502 248 L N 2.788 124.023 121.223 0.020 0.000 2.622 248 L HA -0.050 4.290 4.340 -0.000 0.000 0.233 248 L C 1.973 178.652 176.870 -0.317 0.000 1.156 248 L CA 0.430 55.090 54.840 -0.299 0.000 0.866 248 L CB -0.081 41.897 42.059 -0.135 0.000 0.980 248 L HN 0.351 nan 8.230 nan 0.000 0.448 249 T N -1.171 113.372 114.554 -0.018 0.000 2.852 249 T HA -0.076 4.274 4.350 -0.000 0.000 0.256 249 T C 2.001 176.869 174.700 0.281 0.000 1.038 249 T CA 1.601 63.766 62.100 0.109 0.000 1.141 249 T CB 0.151 69.064 68.868 0.076 0.000 0.869 249 T HN 0.321 nan 8.240 nan 0.000 0.439 250 S N 0.391 116.255 115.700 0.274 0.000 2.478 250 S HA 0.187 4.657 4.470 -0.000 0.000 0.222 250 S C 0.444 175.365 174.600 0.535 0.000 1.008 250 S CA -0.187 58.213 58.200 0.334 0.000 0.928 250 S CB -0.255 63.093 63.200 0.248 0.000 0.781 250 S HN 0.438 nan 8.310 nan 0.000 0.518 251 F N 1.746 121.857 119.950 0.269 0.000 3.080 251 F HA -0.186 4.341 4.527 -0.000 0.000 0.292 251 F C 0.066 176.199 175.800 0.554 0.000 0.891 251 F CA 0.451 58.701 58.000 0.417 0.000 1.086 251 F CB -2.416 36.619 39.000 0.059 0.000 1.095 251 F HN 0.028 nan 8.300 nan 0.000 0.633 252 T N 1.026 115.953 114.554 0.621 0.000 2.824 252 T HA 0.564 4.914 4.350 -0.000 0.000 0.282 252 T C -0.337 174.542 174.700 0.298 0.000 0.993 252 T CA -0.739 61.653 62.100 0.487 0.000 0.967 252 T CB 1.899 70.930 68.868 0.272 0.000 0.960 252 T HN 0.166 nan 8.240 nan 0.000 0.441 253 L N 4.982 126.131 121.223 -0.123 0.000 2.562 253 L HA 0.159 4.499 4.340 -0.000 0.000 0.271 253 L C 0.620 177.285 176.870 -0.341 0.000 1.167 253 L CA 0.384 54.708 54.840 -0.860 0.000 0.917 253 L CB -0.296 41.121 42.059 -1.069 0.000 1.187 253 L HN 0.604 nan 8.230 nan 0.000 0.482 254 I N 2.975 123.390 120.570 -0.257 0.000 3.265 254 I HA 0.172 4.342 4.170 -0.000 0.000 0.282 254 I C 0.709 176.731 176.117 -0.159 0.000 1.207 254 I CA 0.590 61.822 61.300 -0.113 0.000 1.449 254 I CB -0.575 37.431 38.000 0.010 0.000 1.121 254 I HN 0.604 nan 8.210 nan 0.000 0.442 255 Q N 0.191 119.858 119.800 -0.221 0.000 2.553 255 Q HA 0.399 4.739 4.340 -0.000 0.000 0.293 255 Q C -1.320 174.515 176.000 -0.275 0.000 1.038 255 Q CA -0.384 55.267 55.803 -0.253 0.000 0.777 255 Q CB 3.060 31.756 28.738 -0.071 0.000 1.487 255 Q HN -0.044 nan 8.270 nan 0.000 0.426 256 D N 0.734 120.919 120.400 -0.358 0.000 2.474 256 D HA 0.228 4.868 4.640 -0.000 0.000 0.234 256 D C -1.639 174.584 176.300 -0.128 0.000 1.323 256 D CA -0.022 53.878 54.000 -0.167 0.000 0.915 256 D CB -0.132 40.565 40.800 -0.172 0.000 1.487 256 D HN 0.312 nan 8.370 nan 0.000 0.524 257 Y N 0.592 120.926 120.300 0.057 0.000 2.354 257 Y HA 0.425 4.975 4.550 -0.000 0.000 0.322 257 Y C 0.883 176.822 175.900 0.064 0.000 1.253 257 Y CA -0.789 57.353 58.100 0.070 0.000 1.272 257 Y CB 1.028 39.550 38.460 0.104 0.000 1.255 257 Y HN 0.100 nan 8.280 nan 0.000 0.500 258 D N 2.173 122.650 120.400 0.129 0.000 2.477 258 D HA 0.172 4.812 4.640 -0.000 0.000 0.239 258 D C 0.657 176.886 176.300 -0.119 0.000 1.102 258 D CA -0.278 53.623 54.000 -0.166 0.000 0.901 258 D CB 0.495 41.227 40.800 -0.113 0.000 1.026 258 D HN 0.465 nan 8.370 nan 0.000 0.515 259 M N 2.069 121.593 119.600 -0.128 0.000 2.108 259 M HA -0.174 4.306 4.480 -0.000 0.000 0.257 259 M C 2.074 178.277 176.300 -0.161 0.000 1.071 259 M CA 1.359 56.602 55.300 -0.096 0.000 1.093 259 M CB -1.018 31.514 32.600 -0.114 0.000 1.345 259 M HN 0.436 nan 8.290 nan 0.000 0.403 260 V N -1.373 118.399 119.914 -0.237 0.000 2.667 260 V HA -0.119 4.001 4.120 -0.000 0.000 0.252 260 V C 2.478 178.467 176.094 -0.175 0.000 1.065 260 V CA 1.741 63.881 62.300 -0.267 0.000 1.083 260 V CB -1.476 30.115 31.823 -0.386 0.000 0.692 260 V HN 0.527 nan 8.190 nan 0.000 0.468 261 S N 0.527 116.145 115.700 -0.136 0.000 2.400 261 S HA -0.325 4.145 4.470 -0.000 0.000 0.232 261 S C 1.978 176.495 174.600 -0.138 0.000 1.025 261 S CA 1.814 59.950 58.200 -0.105 0.000 0.993 261 S CB -0.788 62.365 63.200 -0.077 0.000 0.808 261 S HN 0.729 nan 8.310 nan 0.000 0.478 262 Q N 1.639 121.319 119.800 -0.200 0.000 2.181 262 Q HA -0.052 4.288 4.340 -0.000 0.000 0.205 262 Q C 1.738 177.599 176.000 -0.232 0.000 0.980 262 Q CA 1.339 56.960 55.803 -0.304 0.000 0.862 262 Q CB -0.285 28.114 28.738 -0.566 0.000 0.905 262 Q HN 0.841 nan 8.270 nan 0.000 0.429 263 S N 0.348 115.955 115.700 -0.155 0.000 2.607 263 S HA 0.087 4.557 4.470 -0.000 0.000 0.272 263 S C -0.093 174.468 174.600 -0.066 0.000 1.166 263 S CA -1.069 57.080 58.200 -0.084 0.000 1.021 263 S CB 0.508 63.675 63.200 -0.055 0.000 1.113 263 S HN 0.013 nan 8.310 nan 0.000 0.531 264 D N 1.979 122.358 120.400 -0.034 0.000 2.450 264 D HA 0.067 4.707 4.640 -0.000 0.000 0.247 264 D C -0.115 176.170 176.300 -0.025 0.000 1.162 264 D CA 0.387 54.374 54.000 -0.022 0.000 0.879 264 D CB 0.520 41.318 40.800 -0.003 0.000 1.163 264 D HN 0.510 nan 8.370 nan 0.000 0.472 265 S N 2.013 117.700 115.700 -0.021 0.000 2.711 265 S HA -0.082 4.388 4.470 -0.000 0.000 0.335 265 S C -0.381 174.222 174.600 0.005 0.000 1.175 265 S CA -0.485 57.708 58.200 -0.012 0.000 1.372 265 S CB -0.552 62.642 63.200 -0.010 0.000 1.337 265 S HN 0.169 nan 8.310 nan 0.000 0.572 266 D N 6.011 126.418 120.400 0.012 0.000 2.518 266 D HA 0.249 4.889 4.640 -0.000 0.000 0.230 266 D C -1.031 175.308 176.300 0.065 0.000 1.138 266 D CA -1.376 52.645 54.000 0.035 0.000 0.964 266 D CB 1.129 41.949 40.800 0.033 0.000 1.011 266 D HN 0.384 nan 8.370 nan 0.000 0.517 267 P HA -0.151 nan 4.420 nan 0.000 0.225 267 P C 1.323 178.673 177.300 0.084 0.000 1.156 267 P CA 0.544 63.681 63.100 0.062 0.000 0.787 267 P CB 0.378 32.097 31.700 0.032 0.000 0.802 268 S N 0.092 115.843 115.700 0.085 0.000 2.456 268 S HA -0.227 4.243 4.470 -0.000 0.000 0.232 268 S C 0.765 175.492 174.600 0.211 0.000 1.046 268 S CA 1.324 59.587 58.200 0.106 0.000 1.175 268 S CB -1.215 62.036 63.200 0.085 0.000 1.129 268 S HN 0.325 nan 8.310 nan 0.000 0.420 269 H N -0.074 119.030 119.070 0.056 0.000 3.224 269 H HA 0.485 5.041 4.556 -0.000 0.000 0.331 269 H C -1.713 173.705 175.328 0.151 0.000 1.002 269 H CA -0.923 55.168 56.048 0.072 0.000 1.473 269 H CB 1.001 30.788 29.762 0.041 0.000 1.830 269 H HN 0.470 nan 8.280 nan 0.000 0.485 270 F N 5.411 125.186 119.950 -0.292 0.000 2.402 270 F HA 0.421 4.948 4.527 -0.000 0.000 0.355 270 F C -0.194 175.386 175.800 -0.366 0.000 1.123 270 F CA -1.176 56.687 58.000 -0.228 0.000 1.021 270 F CB 0.707 39.620 39.000 -0.144 0.000 1.160 270 F HN 0.427 nan 8.300 nan 0.000 0.451 271 R N 7.513 128.118 120.500 0.175 0.000 2.459 271 R HA 0.045 4.385 4.340 -0.000 0.000 0.301 271 R C -0.141 176.142 176.300 -0.028 0.000 1.286 271 R CA -0.395 55.682 56.100 -0.038 0.000 1.046 271 R CB 0.187 30.517 30.300 0.050 0.000 1.071 271 R HN 0.731 nan 8.270 nan 0.000 0.512 272 K N 2.988 123.160 120.400 -0.381 0.000 2.402 272 K HA 0.027 4.347 4.320 -0.000 0.000 0.279 272 K C -0.290 176.239 176.600 -0.118 0.000 1.082 272 K CA -0.475 55.602 56.287 -0.349 0.000 1.080 272 K CB 0.654 32.921 32.500 -0.388 0.000 0.899 272 K HN 0.150 nan 8.250 nan 0.000 0.469 273 V N 3.308 123.179 119.914 -0.071 0.000 2.621 273 V HA -0.117 4.003 4.120 -0.000 0.000 0.300 273 V C 1.081 177.134 176.094 -0.068 0.000 1.031 273 V CA 0.683 62.905 62.300 -0.129 0.000 1.210 273 V CB -0.317 31.305 31.823 -0.335 0.000 0.864 273 V HN 0.859 nan 8.190 nan 0.000 0.477 274 E N 3.190 123.377 120.200 -0.022 0.000 2.370 274 E HA 0.526 4.876 4.350 -0.000 0.000 0.194 274 E C 0.139 176.750 176.600 0.018 0.000 1.057 274 E CA 0.578 56.980 56.400 0.003 0.000 1.011 274 E CB 0.247 29.957 29.700 0.016 0.000 1.132 274 E HN 0.908 nan 8.360 nan 0.000 0.450 275 A N -0.923 121.904 122.820 0.012 0.000 2.585 275 A HA 0.368 4.688 4.320 -0.000 0.000 0.299 275 A C -1.027 176.516 177.584 -0.068 0.000 1.047 275 A CA -0.750 51.276 52.037 -0.017 0.000 0.723 275 A CB 0.621 19.632 19.000 0.019 0.000 1.275 275 A HN -0.035 nan 8.150 nan 0.000 0.408 276 V N 1.457 121.180 119.914 -0.319 0.000 2.599 276 V HA 0.511 4.631 4.120 -0.000 0.000 0.300 276 V C 1.109 176.892 176.094 -0.518 0.000 1.034 276 V CA 1.225 63.175 62.300 -0.583 0.000 1.115 276 V CB 0.423 31.524 31.823 -1.203 0.000 0.934 276 V HN 1.699 nan 8.190 nan 0.000 0.485 277 G N 3.301 111.964 108.800 -0.228 0.000 2.682 277 G HA2 0.545 4.505 3.960 -0.000 0.000 0.303 277 G HA3 0.545 4.505 3.960 -0.000 0.000 0.303 277 G C -1.071 173.566 174.900 -0.438 0.000 1.341 277 G CA -0.574 44.348 45.100 -0.298 0.000 0.784 277 G HN 0.454 nan 8.290 nan 0.000 0.497 278 E N 1.009 120.893 120.200 -0.528 0.000 2.069 278 E HA 0.246 4.596 4.350 -0.000 0.000 0.254 278 E C -0.561 175.760 176.600 -0.466 0.000 1.088 278 E CA -0.325 55.876 56.400 -0.331 0.000 1.017 278 E CB 0.440 30.047 29.700 -0.155 0.000 1.226 278 E HN 0.481 nan 8.360 nan 0.000 0.458 279 Y N 0.998 121.283 120.300 -0.025 0.000 2.457 279 Y HA 0.128 4.678 4.550 -0.000 0.000 0.263 279 Y C 0.374 176.258 175.900 -0.025 0.000 1.164 279 Y CA -0.360 57.715 58.100 -0.042 0.000 1.274 279 Y CB 0.264 38.686 38.460 -0.063 0.000 1.097 279 Y HN 0.271 nan 8.280 nan 0.000 0.523 280 L N -2.603 118.672 121.223 0.087 0.000 2.724 280 L HA 0.812 5.152 4.340 -0.000 0.000 0.258 280 L C -0.649 176.270 176.870 0.082 0.000 0.967 280 L CA -1.538 53.350 54.840 0.080 0.000 0.891 280 L CB 1.698 43.782 42.059 0.042 0.000 1.456 280 L HN -0.225 nan 8.230 nan 0.000 0.416 281 S N 1.230 116.984 115.700 0.090 0.000 2.537 281 S HA 0.887 5.357 4.470 -0.000 0.000 0.271 281 S C -1.178 173.492 174.600 0.116 0.000 1.148 281 S CA -0.600 57.666 58.200 0.110 0.000 0.868 281 S CB 1.423 64.685 63.200 0.103 0.000 1.115 281 S HN 1.717 nan 8.310 nan 0.000 0.461 282 L N 1.101 122.416 121.223 0.152 0.000 2.354 282 L HA 0.776 5.116 4.340 -0.000 0.000 0.269 282 L C -0.126 176.903 176.870 0.264 0.000 1.005 282 L CA -1.024 53.922 54.840 0.177 0.000 0.819 282 L CB 1.261 43.410 42.059 0.151 0.000 1.311 282 L HN 0.770 nan 8.230 nan 0.000 0.423 283 Y N 2.116 122.482 120.300 0.110 0.000 2.762 283 Y HA 0.301 4.851 4.550 -0.000 0.000 0.218 283 Y C 1.524 177.518 175.900 0.157 0.000 0.960 283 Y CA 0.534 58.696 58.100 0.103 0.000 1.070 283 Y CB -0.052 38.441 38.460 0.055 0.000 1.045 283 Y HN 0.755 nan 8.280 nan 0.000 0.466 284 N N 0.626 119.269 118.700 -0.095 0.000 2.242 284 N HA -0.106 4.634 4.740 -0.000 0.000 0.198 284 N C 0.725 176.389 175.510 0.257 0.000 1.042 284 N CA 1.499 54.516 53.050 -0.054 0.000 0.964 284 N CB -0.740 37.692 38.487 -0.091 0.000 1.156 284 N HN 0.605 nan 8.380 nan 0.000 0.503 285 N N -0.062 118.784 118.700 0.243 0.000 2.200 285 N HA 0.063 4.803 4.740 -0.000 0.000 0.224 285 N C -0.574 174.998 175.510 0.103 0.000 1.179 285 N CA -0.014 53.172 53.050 0.226 0.000 0.877 285 N CB 0.293 38.919 38.487 0.232 0.000 1.072 285 N HN 0.001 nan 8.380 nan 0.000 0.519 286 T N 1.478 116.132 114.554 0.166 0.000 2.928 286 T HA 0.591 4.941 4.350 -0.000 0.000 0.284 286 T C -0.576 174.173 174.700 0.082 0.000 1.008 286 T CA -0.462 61.725 62.100 0.145 0.000 1.057 286 T CB 1.928 70.981 68.868 0.309 0.000 1.018 286 T HN 0.210 nan 8.240 nan 0.000 0.493 287 L N 3.197 124.425 121.223 0.008 0.000 2.493 287 L HA 0.734 5.074 4.340 -0.000 0.000 0.265 287 L C -1.023 175.837 176.870 -0.017 0.000 0.954 287 L CA -0.807 54.025 54.840 -0.012 0.000 0.844 287 L CB 1.721 43.711 42.059 -0.115 0.000 1.302 287 L HN 0.553 nan 8.230 nan 0.000 0.405 288 V N 0.547 120.479 119.914 0.029 0.000 2.769 288 V HA 0.893 5.013 4.120 -0.000 0.000 0.312 288 V C -0.405 175.738 176.094 0.081 0.000 1.058 288 V CA -0.156 62.189 62.300 0.074 0.000 0.952 288 V CB 1.787 33.700 31.823 0.149 0.000 1.019 288 V HN 0.813 nan 8.190 nan 0.000 0.445 289 T N 4.527 119.136 114.554 0.090 0.000 2.912 289 T HA 0.585 4.935 4.350 -0.000 0.000 0.299 289 T C -1.005 173.686 174.700 -0.014 0.000 1.052 289 T CA -0.292 61.829 62.100 0.035 0.000 0.996 289 T CB 1.671 70.517 68.868 -0.037 0.000 1.070 289 T HN 0.863 nan 8.240 nan 0.000 0.465 290 L N 3.813 125.004 121.223 -0.053 0.000 2.272 290 L HA 0.538 4.878 4.340 -0.000 0.000 0.284 290 L C -1.082 175.711 176.870 -0.128 0.000 1.045 290 L CA -0.369 54.337 54.840 -0.223 0.000 0.842 290 L CB -0.234 41.722 42.059 -0.172 0.000 1.224 290 L HN 0.550 nan 8.230 nan 0.000 0.430 291 L N 6.455 127.575 121.223 -0.171 0.000 2.325 291 L HA 0.517 4.857 4.340 -0.000 0.000 0.279 291 L C -2.069 174.708 176.870 -0.155 0.000 1.054 291 L CA -1.918 52.806 54.840 -0.195 0.000 0.804 291 L CB 1.160 43.083 42.059 -0.226 0.000 1.200 291 L HN 0.437 nan 8.230 nan 0.000 0.436 292 P HA 0.238 nan 4.420 nan 0.000 0.277 292 P C -0.804 176.459 177.300 -0.061 0.000 1.354 292 P CA -0.009 63.059 63.100 -0.054 0.000 0.891 292 P CB 0.407 32.127 31.700 0.032 0.000 1.058 293 L N 2.902 124.109 121.223 -0.028 0.000 2.527 293 L HA 0.268 4.608 4.340 -0.000 0.000 0.261 293 L C 0.688 177.569 176.870 0.019 0.000 1.534 293 L CA 0.240 55.074 54.840 -0.011 0.000 0.757 293 L CB -0.021 42.019 42.059 -0.031 0.000 0.999 293 L HN 0.356 nan 8.230 nan 0.000 0.517 294 E N 1.457 121.676 120.200 0.032 0.000 3.687 294 E HA -0.267 4.083 4.350 -0.000 0.000 0.319 294 E C -0.022 176.585 176.600 0.012 0.000 0.821 294 E CA 0.676 57.092 56.400 0.027 0.000 1.195 294 E CB -0.618 29.095 29.700 0.022 0.000 1.605 294 E HN 0.728 nan 8.360 nan 0.000 0.419 295 N N -1.394 117.321 118.700 0.026 0.000 2.699 295 N HA -0.164 4.576 4.740 -0.000 0.000 0.257 295 N C -0.184 175.332 175.510 0.010 0.000 1.077 295 N CA 1.670 54.743 53.050 0.038 0.000 0.702 295 N CB -1.192 37.315 38.487 0.032 0.000 0.886 295 N HN 0.557 nan 8.380 nan 0.000 0.549 296 G N -0.003 108.820 108.800 0.037 0.000 4.765 296 G HA2 0.391 4.351 3.960 -0.000 0.000 0.276 296 G HA3 0.391 4.351 3.960 -0.000 0.000 0.276 296 G C -0.415 174.559 174.900 0.125 0.000 0.986 296 G CA -0.253 44.900 45.100 0.087 0.000 0.755 296 G HN 0.242 nan 8.290 nan 0.000 0.391 297 L N 0.726 121.967 121.223 0.029 0.000 2.376 297 L HA 0.564 4.904 4.340 -0.000 0.000 0.275 297 L C -1.199 175.623 176.870 -0.080 0.000 0.987 297 L CA -0.849 54.011 54.840 0.033 0.000 0.828 297 L CB 2.110 44.162 42.059 -0.011 0.000 1.249 297 L HN 0.008 nan 8.230 nan 0.000 0.409 298 F N 2.493 122.518 119.950 0.126 0.000 2.363 298 F HA 0.300 4.827 4.527 -0.000 0.000 0.366 298 F C 0.544 176.358 175.800 0.022 0.000 1.083 298 F CA -0.332 57.723 58.000 0.091 0.000 1.176 298 F CB 1.239 40.306 39.000 0.113 0.000 1.432 298 F HN 0.439 nan 8.300 nan 0.000 0.482 299 Q N 5.006 124.891 119.800 0.141 0.000 2.288 299 Q HA 0.545 4.885 4.340 -0.000 0.000 0.254 299 Q C -0.626 175.401 176.000 0.045 0.000 0.932 299 Q CA -0.405 55.458 55.803 0.099 0.000 0.902 299 Q CB 0.962 29.785 28.738 0.143 0.000 1.203 299 Q HN 0.671 nan 8.270 nan 0.000 0.415 300 M N 2.350 121.885 119.600 -0.109 0.000 2.149 300 M HA 0.606 5.086 4.480 -0.000 0.000 0.273 300 M C -0.759 175.197 176.300 -0.574 0.000 0.972 300 M CA -0.830 54.316 55.300 -0.256 0.000 0.984 300 M CB 1.622 34.064 32.600 -0.264 0.000 1.699 300 M HN 0.568 nan 8.290 nan 0.000 0.462 301 G N 1.856 110.483 108.800 -0.289 0.000 3.008 301 G HA2 0.897 4.857 3.960 -0.000 0.000 0.181 301 G HA3 0.897 4.857 3.960 -0.000 0.000 0.181 301 G C -0.875 173.834 174.900 -0.318 0.000 1.309 301 G CA -0.333 44.488 45.100 -0.465 0.000 1.009 301 G HN 0.867 nan 8.290 nan 0.000 0.584 302 T N -2.043 112.372 114.554 -0.232 0.000 2.956 302 T HA 0.626 4.976 4.350 -0.000 0.000 0.312 302 T C -0.628 174.032 174.700 -0.066 0.000 1.151 302 T CA -0.683 61.360 62.100 -0.095 0.000 1.024 302 T CB 1.371 70.203 68.868 -0.059 0.000 1.140 302 T HN 0.365 nan 8.240 nan 0.000 0.473 303 L N 2.503 123.662 121.223 -0.107 0.000 2.399 303 L HA 0.810 5.150 4.340 -0.000 0.000 0.266 303 L C -0.767 176.039 176.870 -0.108 0.000 1.114 303 L CA -1.093 53.623 54.840 -0.207 0.000 0.804 303 L CB 1.348 43.027 42.059 -0.633 0.000 1.146 303 L HN 0.642 nan 8.230 nan 0.000 0.451 304 L N 3.337 124.511 121.223 -0.082 0.000 2.705 304 L HA 0.735 5.075 4.340 -0.000 0.000 0.260 304 L C -1.039 175.824 176.870 -0.012 0.000 0.921 304 L CA -0.083 54.748 54.840 -0.015 0.000 0.948 304 L CB 1.725 43.779 42.059 -0.007 0.000 1.427 304 L HN 0.405 nan 8.230 nan 0.000 0.432 312 T N 3.853 118.369 114.554 -0.064 0.000 2.921 312 T HA 0.443 4.793 4.350 -0.000 0.000 0.297 312 T C -1.748 172.966 174.700 0.023 0.000 1.013 312 T CA -0.312 61.817 62.100 0.048 0.000 0.990 312 T CB 1.243 70.131 68.868 0.034 0.000 1.023 312 T HN 0.427 nan 8.240 nan 0.000 0.447 313 Y N 3.305 123.537 120.300 -0.113 0.000 2.328 313 Y HA 0.576 5.125 4.550 -0.000 0.000 0.337 313 Y C -0.197 175.524 175.900 -0.299 0.000 1.008 313 Y CA -0.937 56.934 58.100 -0.383 0.000 1.129 313 Y CB 0.909 38.883 38.460 -0.808 0.000 1.185 313 Y HN 0.674 nan 8.280 nan 0.000 0.476 314 T N 5.306 119.405 114.554 -0.759 0.000 2.890 314 T HA 0.295 4.645 4.350 -0.000 0.000 0.295 314 T C -0.587 173.709 174.700 -0.673 0.000 0.993 314 T CA -0.654 61.085 62.100 -0.601 0.000 0.979 314 T CB 0.458 69.176 68.868 -0.250 0.000 0.967 314 T HN 0.587 nan 8.240 nan 0.000 0.441 315 F N 2.894 122.397 119.950 -0.746 0.000 2.669 315 F HA 0.048 4.575 4.527 -0.000 0.000 0.344 315 F C 1.230 176.832 175.800 -0.330 0.000 1.161 315 F CA 0.843 58.543 58.000 -0.501 0.000 1.377 315 F CB 0.628 39.451 39.000 -0.295 0.000 1.047 315 F HN 0.633 nan 8.300 nan 0.000 0.627 316 Q N 1.350 120.339 119.800 -1.351 0.000 2.485 316 Q HA 0.141 4.481 4.340 -0.000 0.000 0.228 316 Q C -0.733 174.641 176.000 -1.043 0.000 0.763 316 Q CA 0.193 55.460 55.803 -0.894 0.000 0.959 316 Q CB 0.432 28.757 28.738 -0.688 0.000 1.314 316 Q HN 0.755 nan 8.270 nan 0.000 0.508 317 N N -0.227 117.613 118.700 -1.434 0.000 4.409 317 N HA 0.056 4.796 4.740 -0.000 0.000 0.208 317 N C -2.183 173.169 175.510 -0.264 0.000 1.233 317 N CA -0.195 52.458 53.050 -0.661 0.000 0.881 317 N CB 0.269 38.648 38.487 -0.180 0.000 1.507 317 N HN -0.129 nan 8.380 nan 0.000 0.511 318 N N 0.936 119.690 118.700 0.089 0.000 2.469 318 N HA 0.526 5.266 4.740 -0.000 0.000 0.253 318 N C -0.967 174.593 175.510 0.084 0.000 0.970 318 N CA -0.256 52.878 53.050 0.139 0.000 0.940 318 N CB 0.886 39.504 38.487 0.218 0.000 1.128 318 N HN 0.437 nan 8.380 nan 0.000 0.503 319 I N 4.914 125.502 120.570 0.029 0.000 2.297 319 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 319 I C -1.744 174.492 176.117 0.198 0.000 1.033 319 I CA -1.852 59.406 61.300 -0.070 0.000 1.253 319 I CB 1.231 38.959 38.000 -0.453 0.000 1.396 319 I HN 0.306 nan 8.210 nan 0.000 0.476 320 P HA 0.111 nan 4.420 nan 0.000 0.275 320 P C -0.426 177.194 177.300 0.533 0.000 1.270 320 P CA -0.187 63.111 63.100 0.329 0.000 0.791 320 P CB 0.593 32.448 31.700 0.259 0.000 1.089 321 T N -2.433 112.367 114.554 0.410 0.000 2.918 321 T HA 0.369 4.718 4.350 -0.000 0.000 0.286 321 T C 0.295 175.009 174.700 0.024 0.000 1.026 321 T CA -0.932 61.355 62.100 0.312 0.000 1.031 321 T CB 0.449 69.462 68.868 0.241 0.000 1.046 321 T HN 0.457 nan 8.240 nan 0.000 0.479 322 N N 3.563 122.077 118.700 -0.311 0.000 3.105 322 N HA 0.263 5.003 4.740 -0.000 0.000 0.256 322 N C -0.922 174.410 175.510 -0.297 0.000 1.174 322 N CA -0.529 52.386 53.050 -0.226 0.000 1.030 322 N CB 0.062 38.426 38.487 -0.205 0.000 1.305 322 N HN 0.603 nan 8.380 nan 0.000 0.509 323 L N 0.576 121.661 121.223 -0.230 0.000 2.362 323 L HA 0.541 4.881 4.340 -0.000 0.000 0.271 323 L C 0.363 177.186 176.870 -0.078 0.000 1.002 323 L CA -0.540 54.162 54.840 -0.231 0.000 0.818 323 L CB 2.027 43.873 42.059 -0.356 0.000 1.298 323 L HN 0.524 nan 8.230 nan 0.000 0.420 324 S N 1.007 116.704 115.700 -0.004 0.000 3.132 324 S HA 0.823 5.293 4.470 -0.000 0.000 0.322 324 S C 0.263 174.900 174.600 0.061 0.000 1.124 324 S CA -0.098 58.116 58.200 0.023 0.000 0.906 324 S CB 1.516 64.724 63.200 0.013 0.000 1.349 324 S HN 1.439 nan 8.310 nan 0.000 0.686 325 A N -0.354 122.486 122.820 0.034 0.000 2.925 325 A HA 0.055 4.375 4.320 -0.000 0.000 0.265 325 A C 1.221 178.793 177.584 -0.020 0.000 1.419 325 A CA 1.697 53.744 52.037 0.016 0.000 0.807 325 A CB -2.378 16.647 19.000 0.042 0.000 1.043 325 A HN 2.599 nan 8.150 nan 0.000 0.600 326 S N -3.816 111.875 115.700 -0.014 0.000 1.794 326 S HA 0.185 4.655 4.470 -0.000 0.000 0.246 326 S C 0.804 175.388 174.600 -0.028 0.000 1.023 326 S CA 1.364 59.548 58.200 -0.027 0.000 1.311 326 S CB -2.015 61.156 63.200 -0.048 0.000 1.603 326 S HN 2.852 nan 8.310 nan 0.000 0.545 327 A N -0.398 122.411 122.820 -0.019 0.000 2.971 327 A HA -0.113 4.207 4.320 -0.000 0.000 0.283 327 A C 0.059 177.609 177.584 -0.056 0.000 1.410 327 A CA 0.904 52.939 52.037 -0.003 0.000 0.735 327 A CB -2.654 16.330 19.000 -0.025 0.000 1.056 327 A HN 1.694 nan 8.150 nan 0.000 0.465 328 I N -3.175 117.278 120.570 -0.195 0.000 3.555 328 I HA 0.557 4.727 4.170 -0.000 0.000 0.343 328 I C 0.084 175.936 176.117 -0.442 0.000 1.426 328 I CA -1.087 60.044 61.300 -0.281 0.000 1.157 328 I CB -0.978 36.841 38.000 -0.302 0.000 1.526 328 I HN 0.354 nan 8.210 nan 0.000 0.461 329 W N 0.625 121.846 121.300 -0.132 0.000 2.570 329 W HA 0.752 5.412 4.660 -0.000 0.000 0.337 329 W C 0.136 176.708 176.519 0.089 0.000 1.067 329 W CA -0.574 56.728 57.345 -0.072 0.000 1.229 329 W CB 1.582 30.863 29.460 -0.297 0.000 1.355 329 W HN -0.054 nan 8.180 nan 0.000 0.555 330 S N 2.364 118.360 115.700 0.493 0.000 2.482 330 S HA 0.428 4.898 4.470 -0.000 0.000 0.303 330 S C -0.863 174.086 174.600 0.582 0.000 1.091 330 S CA -0.740 57.733 58.200 0.454 0.000 1.057 330 S CB 1.568 64.932 63.200 0.274 0.000 1.031 330 S HN 0.367 nan 8.310 nan 0.000 0.485 331 I N 3.349 124.204 120.570 0.475 0.000 2.618 331 I HA 0.090 4.260 4.170 -0.000 0.000 0.284 331 I C 0.718 176.859 176.117 0.040 0.000 1.146 331 I CA 0.609 61.975 61.300 0.110 0.000 1.425 331 I CB 0.638 38.577 38.000 -0.103 0.000 1.383 331 I HN 0.531 nan 8.210 nan 0.000 0.562 332 V N 4.910 124.818 119.914 -0.010 0.000 2.788 332 V HA 0.293 4.413 4.120 -0.000 0.000 0.241 332 V C 0.079 176.166 176.094 -0.012 0.000 1.083 332 V CA 0.670 62.990 62.300 0.033 0.000 1.103 332 V CB -0.280 31.577 31.823 0.058 0.000 0.800 332 V HN 0.849 nan 8.190 nan 0.000 0.476 333 D N -0.548 119.806 120.400 -0.077 0.000 2.722 333 D HA 0.431 5.071 4.640 -0.000 0.000 0.231 333 D C -1.748 174.487 176.300 -0.108 0.000 1.218 333 D CA -0.410 53.553 54.000 -0.061 0.000 0.753 333 D CB 1.783 42.581 40.800 -0.004 0.000 1.471 333 D HN 0.148 nan 8.370 nan 0.000 0.455 334 L N 0.584 121.766 121.223 -0.069 0.000 2.371 334 L HA 0.952 5.292 4.340 -0.000 0.000 0.262 334 L C -1.375 175.486 176.870 -0.015 0.000 1.006 334 L CA -1.133 53.669 54.840 -0.062 0.000 0.818 334 L CB 1.901 43.956 42.059 -0.007 0.000 1.354 334 L HN 0.176 nan 8.230 nan 0.000 0.415 335 V N 2.845 122.743 119.914 -0.027 0.000 2.577 335 V HA 0.563 4.683 4.120 -0.000 0.000 0.294 335 V C -1.553 174.521 176.094 -0.033 0.000 1.052 335 V CA -0.455 61.844 62.300 -0.002 0.000 0.891 335 V CB 1.697 33.524 31.823 0.007 0.000 1.017 335 V HN 0.940 nan 8.190 nan 0.000 0.436 336 L N 6.639 127.856 121.223 -0.011 0.000 2.305 336 L HA 0.905 5.245 4.340 -0.000 0.000 0.281 336 L C 0.089 176.864 176.870 -0.158 0.000 1.085 336 L CA 1.397 56.200 54.840 -0.062 0.000 0.813 336 L CB 1.333 43.406 42.059 0.023 0.000 1.157 336 L HN 0.988 nan 8.230 nan 0.000 0.436 337 T N 3.930 118.259 114.554 -0.375 0.000 2.711 337 T HA 0.469 4.819 4.350 -0.000 0.000 0.302 337 T C -0.964 173.208 174.700 -0.881 0.000 1.373 337 T CA -0.908 60.749 62.100 -0.739 0.000 1.000 337 T CB 0.900 69.579 68.868 -0.315 0.000 1.483 337 T HN 0.751 nan 8.240 nan 0.000 0.499 338 R N 1.773 121.724 120.500 -0.914 0.000 2.758 338 R HA 0.228 4.568 4.340 -0.000 0.000 0.263 338 R C -2.140 173.996 176.300 -0.274 0.000 1.010 338 R CA -1.034 54.789 56.100 -0.461 0.000 1.114 338 R CB -0.776 29.448 30.300 -0.127 0.000 0.985 338 R HN 0.458 nan 8.270 nan 0.000 0.439 339 P HA -0.063 nan 4.420 nan 0.000 0.271 339 P C -0.501 176.764 177.300 -0.059 0.000 1.238 339 P CA -0.178 62.844 63.100 -0.128 0.000 0.794 339 P CB 0.626 32.267 31.700 -0.098 0.000 0.959 340 L N 0.377 121.582 121.223 -0.030 0.000 2.464 340 L HA 0.335 4.675 4.340 -0.000 0.000 0.264 340 L C 0.675 177.560 176.870 0.024 0.000 1.062 340 L CA -0.268 54.590 54.840 0.029 0.000 0.935 340 L CB 0.564 42.649 42.059 0.043 0.000 1.603 340 L HN 0.435 nan 8.230 nan 0.000 0.528 341 E N 0.642 120.867 120.200 0.042 0.000 2.947 341 E HA 0.289 4.639 4.350 -0.000 0.000 0.229 341 E C -0.533 176.056 176.600 -0.019 0.000 1.158 341 E CA -0.150 56.262 56.400 0.019 0.000 1.441 341 E CB -0.080 29.648 29.700 0.046 0.000 1.414 341 E HN 0.320 nan 8.360 nan 0.000 0.432 342 L N 0.584 121.789 121.223 -0.030 0.000 2.425 342 L HA 0.063 4.402 4.340 -0.000 0.000 0.225 342 L C 1.090 177.936 176.870 -0.040 0.000 1.222 342 L CA -0.319 54.493 54.840 -0.047 0.000 0.832 342 L CB 0.148 42.181 42.059 -0.043 0.000 1.238 342 L HN 0.199 nan 8.230 nan 0.000 0.533 343 N N -1.171 117.504 118.700 -0.042 0.000 2.571 343 N HA 0.033 4.773 4.740 -0.000 0.000 0.189 343 N C -0.905 174.589 175.510 -0.025 0.000 1.154 343 N CA 0.268 53.297 53.050 -0.035 0.000 0.907 343 N CB 0.015 38.479 38.487 -0.037 0.000 0.977 343 N HN 0.155 nan 8.380 nan 0.000 0.449 344 V N 0.753 120.652 119.914 -0.025 0.000 2.482 344 V HA 0.101 4.221 4.120 -0.000 0.000 0.295 344 V C 0.921 177.003 176.094 -0.019 0.000 1.026 344 V CA -0.881 61.406 62.300 -0.022 0.000 0.856 344 V CB 1.776 33.583 31.823 -0.027 0.000 1.001 344 V HN 0.237 nan 8.190 nan 0.000 0.424 345 E N 4.390 124.582 120.200 -0.014 0.000 2.153 345 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 345 E C 1.180 177.775 176.600 -0.008 0.000 0.988 345 E CA 1.080 57.475 56.400 -0.008 0.000 0.811 345 E CB 0.108 29.806 29.700 -0.004 0.000 0.746 345 E HN 0.731 nan 8.360 nan 0.000 0.466 346 A N 1.758 124.569 122.820 -0.014 0.000 2.898 346 A HA 0.166 4.486 4.320 -0.000 0.000 0.288 346 A C -0.073 177.501 177.584 -0.016 0.000 1.771 346 A CA 0.348 52.375 52.037 -0.017 0.000 1.383 346 A CB -0.413 18.571 19.000 -0.027 0.000 1.028 346 A HN 0.173 nan 8.150 nan 0.000 0.595 347 S N 0.608 116.307 115.700 -0.001 0.000 2.540 347 S HA 0.606 5.076 4.470 -0.000 0.000 0.275 347 S C -0.304 174.327 174.600 0.052 0.000 1.123 347 S CA -0.422 57.778 58.200 -0.000 0.000 0.907 347 S CB 1.123 64.308 63.200 -0.026 0.000 1.081 347 S HN 0.752 nan 8.310 nan 0.000 0.476 348 Y N 4.445 124.682 120.300 -0.105 0.000 2.784 348 Y HA 0.617 5.167 4.550 -0.000 0.000 0.267 348 Y C -0.660 175.182 175.900 -0.097 0.000 1.117 348 Y CA 0.188 58.226 58.100 -0.104 0.000 1.231 348 Y CB 0.184 38.545 38.460 -0.164 0.000 1.441 348 Y HN 0.610 nan 8.280 nan 0.000 0.469 349 L N 0.829 121.847 121.223 -0.342 0.000 2.359 349 L HA 0.458 4.798 4.340 -0.000 0.000 0.256 349 L C -1.479 175.245 176.870 -0.244 0.000 1.026 349 L CA -1.146 53.454 54.840 -0.400 0.000 0.828 349 L CB 2.223 44.044 42.059 -0.395 0.000 1.406 349 L HN -0.018 nan 8.230 nan 0.000 0.413 350 N N 1.261 119.807 118.700 -0.256 0.000 2.310 350 N HA 0.581 5.320 4.740 -0.000 0.000 0.292 350 N C -1.726 173.665 175.510 -0.198 0.000 1.049 350 N CA -0.348 52.581 53.050 -0.201 0.000 0.849 350 N CB 2.500 40.891 38.487 -0.160 0.000 1.532 350 N HN 0.274 nan 8.380 nan 0.000 0.479 351 L N 3.433 124.535 121.223 -0.201 0.000 2.316 351 L HA 0.624 4.963 4.340 -0.000 0.000 0.280 351 L C -1.127 175.649 176.870 -0.157 0.000 1.006 351 L CA -0.370 54.353 54.840 -0.196 0.000 0.836 351 L CB 0.534 42.418 42.059 -0.291 0.000 1.221 351 L HN 0.536 nan 8.230 nan 0.000 0.418 352 I N 5.813 126.313 120.570 -0.116 0.000 2.325 352 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 352 I C -0.593 175.446 176.117 -0.130 0.000 1.019 352 I CA -0.549 60.694 61.300 -0.096 0.000 1.302 352 I CB 1.267 39.226 38.000 -0.069 0.000 1.401 352 I HN 0.266 nan 8.210 nan 0.000 0.485 353 V N 7.499 127.320 119.914 -0.156 0.000 2.487 353 V HA 0.384 4.504 4.120 -0.000 0.000 0.298 353 V C -0.478 175.389 176.094 -0.377 0.000 1.028 353 V CA -0.691 61.434 62.300 -0.291 0.000 0.860 353 V CB 2.083 33.707 31.823 -0.332 0.000 0.991 353 V HN 0.414 nan 8.190 nan 0.000 0.427 354 L N 5.494 126.480 121.223 -0.396 0.000 2.319 354 L HA 0.688 5.028 4.340 -0.000 0.000 0.281 354 L C -1.118 175.599 176.870 -0.255 0.000 1.005 354 L CA -0.058 54.616 54.840 -0.278 0.000 0.828 354 L CB 1.008 42.975 42.059 -0.154 0.000 1.227 354 L HN 0.657 nan 8.230 nan 0.000 0.415 355 W N 4.685 125.965 121.300 -0.034 0.000 2.576 355 W HA 0.726 5.386 4.660 -0.000 0.000 0.360 355 W C -0.346 176.287 176.519 0.191 0.000 1.109 355 W CA -0.697 56.693 57.345 0.075 0.000 1.237 355 W CB 1.398 30.850 29.460 -0.013 0.000 1.369 355 W HN 0.411 nan 8.180 nan 0.000 0.609 356 K N 0.345 121.134 120.400 0.648 0.000 2.527 356 K HA 0.589 4.909 4.320 -0.000 0.000 0.260 356 K C -1.434 175.424 176.600 0.430 0.000 0.937 356 K CA -0.634 55.958 56.287 0.508 0.000 0.826 356 K CB 2.050 34.697 32.500 0.245 0.000 1.359 356 K HN 0.281 nan 8.250 nan 0.000 0.434 357 S N 2.368 118.162 115.700 0.157 0.000 2.356 357 S HA 0.548 5.018 4.470 -0.000 0.000 0.171 357 S C -0.036 174.475 174.600 -0.147 0.000 1.399 357 S CA 0.495 58.545 58.200 -0.250 0.000 1.225 357 S CB -0.003 62.551 63.200 -1.076 0.000 1.271 357 S HN 1.240 nan 8.310 nan 0.000 0.427 358 G N 2.996 111.762 108.800 -0.056 0.000 2.496 358 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.243 358 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.243 358 G C 0.667 175.552 174.900 -0.024 0.000 1.176 358 G CA 0.581 45.658 45.100 -0.038 0.000 0.940 358 G HN 1.502 nan 8.290 nan 0.000 0.573 359 T N -0.640 113.901 114.554 -0.021 0.000 3.122 359 T HA 0.676 5.026 4.350 -0.000 0.000 0.250 359 T C 0.854 175.568 174.700 0.024 0.000 1.067 359 T CA 1.467 63.547 62.100 -0.033 0.000 0.966 359 T CB 0.278 69.132 68.868 -0.023 0.000 1.002 359 T HN 1.982 nan 8.240 nan 0.000 0.542 360 A N 1.764 124.628 122.820 0.073 0.000 2.304 360 A HA 0.748 5.068 4.320 -0.000 0.000 0.301 360 A C 0.449 178.213 177.584 0.301 0.000 1.132 360 A CA -0.636 51.504 52.037 0.172 0.000 0.819 360 A CB 0.835 19.946 19.000 0.185 0.000 1.094 360 A HN 0.610 nan 8.150 nan 0.000 0.492 361 S N 1.215 117.092 115.700 0.295 0.000 2.634 361 S HA 0.811 5.280 4.470 -0.000 0.000 0.296 361 S C -0.800 173.883 174.600 0.138 0.000 1.104 361 S CA -0.810 57.555 58.200 0.275 0.000 0.920 361 S CB 1.758 65.059 63.200 0.167 0.000 1.111 361 S HN 0.708 nan 8.310 nan 0.000 0.493 362 K N 0.669 121.063 120.400 -0.009 0.000 2.565 362 K HA 0.559 4.879 4.320 -0.000 0.000 0.249 362 K C -2.106 174.411 176.600 -0.138 0.000 0.958 362 K CA -0.592 55.570 56.287 -0.209 0.000 0.806 362 K CB 1.763 33.844 32.500 -0.697 0.000 1.194 362 K HN 0.712 nan 8.250 nan 0.000 0.434 363 L N 3.386 124.481 121.223 -0.214 0.000 2.341 363 L HA 0.463 4.803 4.340 -0.000 0.000 0.278 363 L C -1.260 175.491 176.870 -0.198 0.000 1.005 363 L CA -0.018 54.634 54.840 -0.313 0.000 0.818 363 L CB 1.621 43.236 42.059 -0.740 0.000 1.259 363 L HN 0.682 nan 8.230 nan 0.000 0.418 364 Q N 4.549 124.277 119.800 -0.120 0.000 2.528 364 Q HA 0.653 4.993 4.340 -0.000 0.000 0.289 364 Q C -1.512 174.529 176.000 0.068 0.000 1.091 364 Q CA -0.855 54.955 55.803 0.012 0.000 0.797 364 Q CB 3.170 31.941 28.738 0.055 0.000 1.466 364 Q HN 0.569 nan 8.270 nan 0.000 0.436 365 I N 1.867 122.535 120.570 0.163 0.000 2.512 365 I HA 0.248 4.418 4.170 -0.000 0.000 0.287 365 I C -1.427 174.724 176.117 0.058 0.000 1.069 365 I CA -0.830 60.510 61.300 0.066 0.000 1.056 365 I CB 1.805 39.803 38.000 -0.004 0.000 1.229 365 I HN 0.343 nan 8.210 nan 0.000 0.429 366 L N 6.939 128.046 121.223 -0.193 0.000 2.260 366 L HA 0.410 4.750 4.340 -0.000 0.000 0.289 366 L C -0.283 176.371 176.870 -0.360 0.000 1.057 366 L CA 0.131 54.590 54.840 -0.634 0.000 0.811 366 L CB 0.710 42.099 42.059 -1.117 0.000 1.184 366 L HN 0.542 nan 8.230 nan 0.000 0.429 367 N N 4.141 122.684 118.700 -0.262 0.000 2.444 367 N HA 0.414 5.154 4.740 -0.000 0.000 0.262 367 N C -1.165 174.272 175.510 -0.122 0.000 0.974 367 N CA -0.639 52.317 53.050 -0.157 0.000 0.933 367 N CB 1.344 39.774 38.487 -0.094 0.000 1.137 367 N HN 0.393 nan 8.380 nan 0.000 0.498 368 V N 2.090 121.934 119.914 -0.117 0.000 2.383 368 V HA 0.458 4.578 4.120 -0.000 0.000 0.275 368 V C 0.696 176.761 176.094 -0.049 0.000 1.036 368 V CA -0.612 61.641 62.300 -0.079 0.000 0.889 368 V CB 0.878 32.613 31.823 -0.146 0.000 0.985 368 V HN 0.595 nan 8.190 nan 0.000 0.459 369 N N 3.620 122.293 118.700 -0.045 0.000 2.048 369 N HA -0.059 4.681 4.740 -0.000 0.000 0.193 369 N C 0.314 175.794 175.510 -0.050 0.000 1.061 369 N CA 1.863 54.888 53.050 -0.042 0.000 0.849 369 N CB -0.241 38.213 38.487 -0.054 0.000 1.044 369 N HN 1.004 nan 8.380 nan 0.000 0.429 370 D N -0.528 119.796 120.400 -0.127 0.000 2.478 370 D HA 0.196 4.836 4.640 -0.000 0.000 0.263 370 D C 0.030 176.050 176.300 -0.466 0.000 1.153 370 D CA -0.554 53.314 54.000 -0.221 0.000 1.038 370 D CB 0.486 41.185 40.800 -0.169 0.000 1.120 370 D HN 0.103 nan 8.370 nan 0.000 0.564 371 E N -0.843 118.980 120.200 -0.627 0.000 2.516 371 E HA -0.063 4.287 4.350 -0.000 0.000 0.199 371 E C 0.053 176.353 176.600 -0.499 0.000 1.069 371 E CA 0.321 56.196 56.400 -0.874 0.000 0.876 371 E CB 0.081 29.377 29.700 -0.673 0.000 0.843 371 E HN 0.327 nan 8.360 nan 0.000 0.530 372 S N 0.474 115.978 115.700 -0.326 0.000 2.411 372 S HA 0.137 4.607 4.470 -0.000 0.000 0.294 372 S C -0.007 174.514 174.600 -0.132 0.000 1.115 372 S CA -0.745 57.387 58.200 -0.113 0.000 1.071 372 S CB 0.044 63.202 63.200 -0.070 0.000 0.967 372 S HN 0.017 nan 8.310 nan 0.000 0.488 373 F N 4.366 124.262 119.950 -0.091 0.000 2.763 373 F HA 0.282 4.809 4.527 -0.000 0.000 0.309 373 F C 1.522 177.303 175.800 -0.032 0.000 1.267 373 F CA -0.022 57.934 58.000 -0.074 0.000 1.417 373 F CB -0.350 38.568 39.000 -0.137 0.000 1.223 373 F HN 0.624 nan 8.300 nan 0.000 0.539 374 K N -0.803 119.673 120.400 0.127 0.000 2.435 374 K HA 0.142 4.462 4.320 -0.000 0.000 0.199 374 K C 0.151 176.873 176.600 0.204 0.000 1.153 374 K CA 0.056 56.445 56.287 0.169 0.000 0.974 374 K CB 0.489 33.040 32.500 0.086 0.000 0.997 374 K HN 0.043 nan 8.250 nan 0.000 0.547 375 N N 1.231 119.998 118.700 0.112 0.000 2.476 375 N HA 0.221 4.961 4.740 -0.000 0.000 0.257 375 N C -1.227 174.308 175.510 0.041 0.000 0.970 375 N CA -0.210 52.837 53.050 -0.004 0.000 0.938 375 N CB 1.141 39.595 38.487 -0.056 0.000 1.144 375 N HN 0.066 nan 8.380 nan 0.000 0.500 376 Y N -0.931 119.305 120.300 -0.107 0.000 2.705 376 Y HA 0.659 5.209 4.550 -0.000 0.000 0.332 376 Y C -0.930 174.880 175.900 -0.151 0.000 1.221 376 Y CA -1.128 56.874 58.100 -0.162 0.000 1.059 376 Y CB 1.634 39.955 38.460 -0.233 0.000 1.298 376 Y HN 0.225 nan 8.280 nan 0.000 0.459 377 E N 0.508 120.665 120.200 -0.072 0.000 2.321 377 E HA 0.263 4.613 4.350 -0.000 0.000 0.278 377 E C -2.389 174.205 176.600 -0.011 0.000 0.902 377 E CA -0.695 55.663 56.400 -0.069 0.000 0.758 377 E CB 1.501 31.169 29.700 -0.055 0.000 1.213 377 E HN 0.733 nan 8.360 nan 0.000 0.426 378 W N 5.276 126.625 121.300 0.081 0.000 2.358 378 W HA 0.375 5.035 4.660 -0.000 0.000 0.307 378 W C -0.067 176.457 176.519 0.008 0.000 1.203 378 W CA -0.439 56.940 57.345 0.056 0.000 1.279 378 W CB 0.653 30.160 29.460 0.077 0.000 1.264 378 W HN 0.303 nan 8.180 nan 0.000 0.474 379 I N 4.943 125.695 120.570 0.305 0.000 2.312 379 I HA 0.146 4.316 4.170 -0.000 0.000 0.290 379 I C 0.448 176.636 176.117 0.118 0.000 1.008 379 I CA -0.610 60.778 61.300 0.146 0.000 1.226 379 I CB 0.729 38.765 38.000 0.061 0.000 1.371 379 I HN 0.383 nan 8.210 nan 0.000 0.468 380 E N 4.570 124.805 120.200 0.058 0.000 2.302 380 E HA 0.600 4.950 4.350 -0.000 0.000 0.255 380 E C -0.504 176.083 176.600 -0.021 0.000 1.099 380 E CA -0.534 55.867 56.400 0.001 0.000 0.929 380 E CB 1.944 31.630 29.700 -0.023 0.000 1.203 380 E HN 0.646 nan 8.360 nan 0.000 0.459 381 S N -1.413 114.265 115.700 -0.037 0.000 2.596 381 S HA 0.368 4.838 4.470 -0.000 0.000 0.270 381 S C -0.642 173.944 174.600 -0.024 0.000 1.155 381 S CA -0.989 57.193 58.200 -0.030 0.000 0.827 381 S CB 0.876 64.090 63.200 0.022 0.000 1.130 381 S HN 0.193 nan 8.310 nan 0.000 0.467 382 V N 2.786 122.647 119.914 -0.090 0.000 2.572 382 V HA 0.267 4.387 4.120 -0.000 0.000 0.291 382 V C 0.516 176.633 176.094 0.037 0.000 1.039 382 V CA -0.377 61.862 62.300 -0.102 0.000 1.055 382 V CB 0.294 31.907 31.823 -0.349 0.000 0.969 382 V HN 0.943 nan 8.190 nan 0.000 0.482 383 N N 3.345 122.086 118.700 0.070 0.000 2.238 383 N HA 0.176 4.916 4.740 -0.000 0.000 0.222 383 N C -0.071 175.502 175.510 0.105 0.000 1.133 383 N CA -0.077 53.058 53.050 0.141 0.000 0.854 383 N CB 0.721 39.285 38.487 0.129 0.000 1.041 383 N HN 0.529 nan 8.380 nan 0.000 0.510 384 K N 0.851 121.286 120.400 0.059 0.000 2.469 384 K HA 0.273 4.593 4.320 -0.000 0.000 0.254 384 K C -0.186 176.431 176.600 0.028 0.000 0.939 384 K CA -0.423 55.899 56.287 0.059 0.000 0.812 384 K CB 2.647 35.202 32.500 0.093 0.000 1.301 384 K HN 0.028 nan 8.250 nan 0.000 0.433 385 S N 1.165 116.875 115.700 0.017 0.000 2.603 385 S HA 0.099 4.569 4.470 -0.000 0.000 0.268 385 S C 1.272 175.922 174.600 0.084 0.000 1.317 385 S CA -0.583 57.625 58.200 0.014 0.000 1.012 385 S CB 0.719 63.910 63.200 -0.015 0.000 0.926 385 S HN 0.562 nan 8.310 nan 0.000 0.539 386 L N 2.905 124.201 121.223 0.121 0.000 2.012 386 L HA -0.039 4.300 4.340 -0.000 0.000 0.210 386 L C 2.380 179.305 176.870 0.092 0.000 1.073 386 L CA 1.667 56.593 54.840 0.143 0.000 0.748 386 L CB -1.244 40.861 42.059 0.077 0.000 0.891 386 L HN 0.720 nan 8.230 nan 0.000 0.431 387 V N 0.044 119.995 119.914 0.063 0.000 2.392 387 V HA -0.315 3.805 4.120 -0.000 0.000 0.249 387 V C 2.315 178.428 176.094 0.032 0.000 1.059 387 V CA 2.007 64.332 62.300 0.041 0.000 1.051 387 V CB -0.777 31.039 31.823 -0.012 0.000 0.658 387 V HN 0.475 nan 8.190 nan 0.000 0.455 388 D N -0.149 120.276 120.400 0.040 0.000 2.103 388 D HA -0.074 4.566 4.640 -0.000 0.000 0.199 388 D C 2.153 178.519 176.300 0.109 0.000 0.978 388 D CA 1.094 55.133 54.000 0.064 0.000 0.829 388 D CB -0.216 40.625 40.800 0.068 0.000 0.981 388 D HN 0.338 nan 8.370 nan 0.000 0.464 389 L N 0.630 121.922 121.223 0.114 0.000 2.083 389 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 389 L C 2.532 179.486 176.870 0.140 0.000 1.083 389 L CA 1.101 56.010 54.840 0.115 0.000 0.752 389 L CB -0.351 41.747 42.059 0.066 0.000 0.899 389 L HN 0.008 nan 8.230 nan 0.000 0.433 390 Q N -1.048 118.827 119.800 0.124 0.000 2.119 390 Q HA -0.195 4.145 4.340 -0.000 0.000 0.201 390 Q C 2.489 178.570 176.000 0.135 0.000 0.972 390 Q CA 1.693 57.575 55.803 0.130 0.000 0.847 390 Q CB -0.115 28.689 28.738 0.110 0.000 0.903 390 Q HN 0.404 nan 8.270 nan 0.000 0.433 391 S N 0.483 116.253 115.700 0.116 0.000 2.368 391 S HA -0.167 4.302 4.470 -0.000 0.000 0.224 391 S C 1.704 176.379 174.600 0.124 0.000 1.029 391 S CA 1.047 59.308 58.200 0.103 0.000 0.988 391 S CB 0.017 63.266 63.200 0.081 0.000 0.838 391 S HN 0.306 nan 8.310 nan 0.000 0.462 392 E N -0.421 119.881 120.200 0.171 0.000 2.031 392 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 392 E C 1.169 177.848 176.600 0.131 0.000 0.994 392 E CA 1.346 57.849 56.400 0.172 0.000 0.800 392 E CB -0.152 29.712 29.700 0.274 0.000 0.752 392 E HN 0.630 nan 8.360 nan 0.000 0.447 393 H N 0.125 119.231 119.070 0.060 0.000 2.592 393 H HA 0.076 4.632 4.556 -0.000 0.000 0.291 393 H C -0.547 174.811 175.328 0.049 0.000 1.052 393 H CA 0.321 56.401 56.048 0.053 0.000 1.175 393 H CB -0.260 29.538 29.762 0.060 0.000 1.378 393 H HN 0.104 nan 8.280 nan 0.000 0.576 394 D N 0.563 121.043 120.400 0.134 0.000 2.740 394 D HA -0.200 4.440 4.640 -0.000 0.000 0.231 394 D C 0.011 176.375 176.300 0.107 0.000 1.194 394 D CA 0.366 54.423 54.000 0.096 0.000 0.673 394 D CB -0.955 39.881 40.800 0.059 0.000 0.995 394 D HN 0.501 nan 8.370 nan 0.000 0.411 395 L N -0.205 121.095 121.223 0.127 0.000 2.808 395 L HA 0.253 4.593 4.340 -0.000 0.000 0.246 395 L C 0.705 177.648 176.870 0.122 0.000 1.153 395 L CA -0.458 54.456 54.840 0.122 0.000 0.956 395 L CB 0.330 42.471 42.059 0.138 0.000 1.270 395 L HN 0.109 nan 8.230 nan 0.000 0.528 396 D N 0.745 121.212 120.400 0.111 0.000 2.313 396 D HA 0.230 4.870 4.640 -0.000 0.000 0.239 396 D C 0.732 177.103 176.300 0.118 0.000 1.142 396 D CA 0.124 54.190 54.000 0.110 0.000 0.847 396 D CB 1.162 42.013 40.800 0.085 0.000 1.082 396 D HN 0.088 nan 8.370 nan 0.000 0.480 397 I N 3.059 123.730 120.570 0.167 0.000 3.854 397 I HA -0.067 4.103 4.170 -0.000 0.000 0.312 397 I C 1.797 178.043 176.117 0.214 0.000 1.273 397 I CA 0.022 61.443 61.300 0.201 0.000 1.298 397 I CB 0.572 38.748 38.000 0.295 0.000 1.071 397 I HN 0.296 nan 8.210 nan 0.000 0.428 398 V N -0.242 119.755 119.914 0.139 0.000 2.302 398 V HA -0.094 4.026 4.120 -0.000 0.000 0.243 398 V C 1.099 177.182 176.094 -0.019 0.000 1.036 398 V CA 1.024 63.329 62.300 0.008 0.000 1.020 398 V CB -0.894 30.786 31.823 -0.238 0.000 0.657 398 V HN 0.312 nan 8.190 nan 0.000 0.453 399 T N 2.600 117.148 114.554 -0.009 0.000 2.819 399 T HA -0.015 4.335 4.350 -0.000 0.000 0.282 399 T C 0.223 174.930 174.700 0.012 0.000 1.013 399 T CA 0.471 62.564 62.100 -0.012 0.000 1.159 399 T CB -0.230 68.640 68.868 0.003 0.000 1.007 399 T HN 0.382 nan 8.240 nan 0.000 0.514 400 K N 2.909 123.306 120.400 -0.004 0.000 2.436 400 K HA 0.198 4.518 4.320 -0.000 0.000 0.275 400 K C 1.218 177.828 176.600 0.016 0.000 0.999 400 K CA -0.161 56.133 56.287 0.013 0.000 0.980 400 K CB 0.350 32.845 32.500 -0.007 0.000 0.919 400 K HN 0.754 nan 8.250 nan 0.000 0.484 401 T N -1.167 113.401 114.554 0.023 0.000 2.889 401 T HA 0.775 5.125 4.350 -0.000 0.000 0.278 401 T C 0.789 175.498 174.700 0.015 0.000 0.995 401 T CA -0.126 61.987 62.100 0.022 0.000 0.966 401 T CB 1.721 70.605 68.868 0.027 0.000 1.237 401 T HN 0.771 nan 8.240 nan 0.000 0.591 402 G N 0.485 109.295 108.800 0.016 0.000 2.659 402 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.214 402 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.214 402 G C -0.419 174.490 174.900 0.015 0.000 1.191 402 G CA 0.035 45.142 45.100 0.012 0.000 1.141 402 G HN 1.034 nan 8.290 nan 0.000 0.581 403 D N -0.107 120.300 120.400 0.010 0.000 2.438 403 D HA 0.154 4.794 4.640 -0.000 0.000 0.230 403 D C 1.728 178.041 176.300 0.020 0.000 1.248 403 D CA 1.006 55.012 54.000 0.010 0.000 0.883 403 D CB 1.243 42.046 40.800 0.004 0.000 1.233 403 D HN 1.099 nan 8.370 nan 0.000 0.500 404 V N 1.529 121.449 119.914 0.010 0.000 2.649 404 V HA -0.077 4.043 4.120 -0.000 0.000 0.248 404 V C 1.646 177.771 176.094 0.052 0.000 1.054 404 V CA 1.604 63.917 62.300 0.022 0.000 1.073 404 V CB -0.328 31.480 31.823 -0.026 0.000 0.699 404 V HN 0.555 nan 8.190 nan 0.000 0.463 405 E N 0.079 120.286 120.200 0.012 0.000 2.285 405 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 405 E C 2.199 178.862 176.600 0.105 0.000 0.997 405 E CA 0.745 57.163 56.400 0.030 0.000 0.845 405 E CB -0.073 29.605 29.700 -0.036 0.000 0.782 405 E HN 0.472 nan 8.360 nan 0.000 0.491 406 R N 1.361 121.898 120.500 0.061 0.000 2.075 406 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 406 R C 2.174 178.513 176.300 0.065 0.000 1.126 406 R CA 1.707 57.833 56.100 0.044 0.000 0.963 406 R CB -0.830 29.482 30.300 0.020 0.000 0.858 406 R HN 0.170 nan 8.270 nan 0.000 0.435 407 G N -1.366 107.489 108.800 0.091 0.000 2.598 407 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 407 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 407 G C 1.101 176.087 174.900 0.142 0.000 1.131 407 G CA 0.196 45.353 45.100 0.095 0.000 0.785 407 G HN 0.331 nan 8.290 nan 0.000 0.539 408 F N 0.538 120.488 119.950 -0.001 0.000 2.219 408 F HA 0.082 4.609 4.527 -0.000 0.000 0.294 408 F C 2.688 178.443 175.800 -0.074 0.000 1.086 408 F CA 0.501 58.513 58.000 0.021 0.000 1.330 408 F CB -0.229 38.798 39.000 0.044 0.000 1.047 408 F HN 0.149 nan 8.300 nan 0.000 0.495 409 C N 0.435 119.790 119.300 0.093 0.000 2.440 409 C HA -0.150 4.310 4.460 -0.000 0.000 0.278 409 C C 2.557 177.478 174.990 -0.114 0.000 1.295 409 C CA 0.964 59.954 59.018 -0.047 0.000 1.738 409 C CB -1.297 26.434 27.740 -0.015 0.000 1.987 409 C HN 0.469 nan 8.230 nan 0.000 0.492 410 N N 1.431 120.095 118.700 -0.061 0.000 2.043 410 N HA -0.083 4.657 4.740 -0.000 0.000 0.193 410 N C 1.600 177.055 175.510 -0.092 0.000 1.037 410 N CA 1.349 54.356 53.050 -0.070 0.000 0.851 410 N CB -0.700 37.773 38.487 -0.023 0.000 1.027 410 N HN 0.472 nan 8.380 nan 0.000 0.422 411 L N 0.866 122.055 121.223 -0.058 0.000 2.027 411 L HA -0.104 4.236 4.340 -0.000 0.000 0.206 411 L C 2.461 179.284 176.870 -0.078 0.000 1.074 411 L CA 1.164 56.034 54.840 0.051 0.000 0.745 411 L CB -0.445 41.676 42.059 0.103 0.000 0.898 411 L HN 0.149 nan 8.230 nan 0.000 0.433 412 K N -0.007 120.081 120.400 -0.521 0.000 2.032 412 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 412 K C 2.477 178.825 176.600 -0.420 0.000 1.048 412 K CA 1.842 57.568 56.287 -0.935 0.000 0.927 412 K CB -0.180 31.625 32.500 -1.158 0.000 0.712 412 K HN 0.159 nan 8.250 nan 0.000 0.441 413 S N 0.409 115.921 115.700 -0.314 0.000 2.368 413 S HA -0.191 4.279 4.470 -0.000 0.000 0.225 413 S C 2.120 176.559 174.600 -0.268 0.000 1.030 413 S CA 1.449 59.492 58.200 -0.263 0.000 0.999 413 S CB -0.335 62.721 63.200 -0.239 0.000 0.844 413 S HN 0.431 nan 8.310 nan 0.000 0.459 414 R N -1.249 119.102 120.500 -0.248 0.000 2.081 414 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 414 R C 1.813 177.872 176.300 -0.401 0.000 1.131 414 R CA 1.880 57.780 56.100 -0.333 0.000 0.960 414 R CB -0.407 29.676 30.300 -0.362 0.000 0.856 414 R HN 0.567 nan 8.270 nan 0.000 0.436 415 Y N -0.692 119.530 120.300 -0.130 0.000 2.436 415 Y HA 0.279 4.829 4.550 -0.000 0.000 0.288 415 Y C 1.029 176.887 175.900 -0.071 0.000 1.112 415 Y CA 0.899 58.951 58.100 -0.079 0.000 1.220 415 Y CB 0.517 38.962 38.460 -0.026 0.000 1.073 415 Y HN 0.399 nan 8.280 nan 0.000 0.552 416 G N -0.504 108.307 108.800 0.019 0.000 2.712 416 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.686 416 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.686 416 G C 0.492 175.433 174.900 0.069 0.000 1.181 416 G CA -0.235 44.864 45.100 -0.003 0.000 0.762 416 G HN 0.083 nan 8.290 nan 0.000 0.641 417 T N 0.528 115.111 114.554 0.048 0.000 2.720 417 T HA -0.216 4.133 4.350 -0.000 0.000 0.268 417 T C 2.316 177.119 174.700 0.171 0.000 1.037 417 T CA 2.286 64.453 62.100 0.111 0.000 1.144 417 T CB -0.245 68.674 68.868 0.084 0.000 0.864 417 T HN 0.697 nan 8.240 nan 0.000 0.444 418 Q N 0.146 120.051 119.800 0.175 0.000 2.077 418 Q HA -0.133 4.207 4.340 -0.000 0.000 0.206 418 Q C 2.290 178.464 176.000 0.290 0.000 0.989 418 Q CA 1.606 57.557 55.803 0.247 0.000 0.853 418 Q CB -0.261 28.654 28.738 0.296 0.000 0.907 418 Q HN 0.552 nan 8.270 nan 0.000 0.418 419 I N -0.302 120.394 120.570 0.211 0.000 2.233 419 I HA -0.211 3.959 4.170 -0.000 0.000 0.243 419 I C 2.162 178.261 176.117 -0.030 0.000 1.093 419 I CA 0.640 61.916 61.300 -0.041 0.000 1.380 419 I CB -0.324 37.620 38.000 -0.094 0.000 1.067 419 I HN 0.211 nan 8.210 nan 0.000 0.413 420 F N 2.160 122.053 119.950 -0.096 0.000 2.065 420 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 420 F C 2.510 178.249 175.800 -0.102 0.000 1.112 420 F CA 1.915 59.828 58.000 -0.146 0.000 1.212 420 F CB -0.273 38.658 39.000 -0.115 0.000 0.975 420 F HN 0.071 nan 8.300 nan 0.000 0.476 421 E N -0.643 119.630 120.200 0.122 0.000 2.204 421 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 421 E C 2.142 178.736 176.600 -0.011 0.000 0.989 421 E CA 0.962 57.390 56.400 0.046 0.000 0.824 421 E CB -0.251 29.528 29.700 0.132 0.000 0.756 421 E HN 0.202 nan 8.360 nan 0.000 0.477 422 R N 1.381 121.889 120.500 0.013 0.000 2.148 422 R HA -0.011 4.329 4.340 -0.000 0.000 0.223 422 R C 1.834 178.083 176.300 -0.085 0.000 1.088 422 R CA 1.370 57.484 56.100 0.024 0.000 0.985 422 R CB -0.384 29.995 30.300 0.132 0.000 0.880 422 R HN 0.112 nan 8.270 nan 0.000 0.451 423 A N -0.035 122.662 122.820 -0.205 0.000 1.975 423 A HA -0.025 4.295 4.320 -0.000 0.000 0.215 423 A C 1.887 179.324 177.584 -0.246 0.000 1.170 423 A CA 0.867 52.743 52.037 -0.268 0.000 0.656 423 A CB -0.245 18.510 19.000 -0.407 0.000 0.821 423 A HN 0.452 nan 8.150 nan 0.000 0.449 424 Q N -0.810 118.815 119.800 -0.292 0.000 2.435 424 Q HA -0.123 4.217 4.340 -0.000 0.000 0.207 424 Q C 2.103 178.067 176.000 -0.059 0.000 0.956 424 Q CA 0.939 56.631 55.803 -0.185 0.000 0.917 424 Q CB 0.039 28.650 28.738 -0.211 0.000 0.997 424 Q HN 0.833 nan 8.270 nan 0.000 0.497 425 Q N 0.838 120.607 119.800 -0.052 0.000 2.008 425 Q HA -0.093 4.247 4.340 -0.000 0.000 0.196 425 Q C 1.969 177.964 176.000 -0.007 0.000 0.973 425 Q CA 0.750 56.548 55.803 -0.008 0.000 0.826 425 Q CB 0.073 28.819 28.738 0.013 0.000 0.894 425 Q HN 0.376 nan 8.270 nan 0.000 0.439 426 I N 1.271 121.828 120.570 -0.022 0.000 2.657 426 I HA -0.286 3.884 4.170 -0.000 0.000 0.261 426 I C 2.101 178.212 176.117 -0.011 0.000 1.212 426 I CA 0.704 61.994 61.300 -0.016 0.000 1.453 426 I CB -0.169 37.811 38.000 -0.033 0.000 1.092 426 I HN 0.314 nan 8.210 nan 0.000 0.452 427 L N 0.124 121.342 121.223 -0.008 0.000 2.049 427 L HA -0.158 4.182 4.340 -0.000 0.000 0.203 427 L C 2.839 179.722 176.870 0.022 0.000 1.074 427 L CA 1.617 56.475 54.840 0.030 0.000 0.749 427 L CB -0.454 41.666 42.059 0.102 0.000 0.907 427 L HN 0.302 nan 8.230 nan 0.000 0.439 428 S N -0.853 114.855 115.700 0.014 0.000 2.368 428 S HA -0.219 4.251 4.470 -0.000 0.000 0.225 428 S C 1.737 176.338 174.600 0.002 0.000 1.030 428 S CA 1.067 59.268 58.200 0.001 0.000 0.999 428 S CB -0.486 62.718 63.200 0.006 0.000 0.844 428 S HN 0.379 nan 8.310 nan 0.000 0.459 429 E N 1.496 121.700 120.200 0.006 0.000 2.209 429 E HA -0.060 4.290 4.350 -0.000 0.000 0.196 429 E C 1.043 177.647 176.600 0.006 0.000 0.993 429 E CA 0.805 57.209 56.400 0.008 0.000 0.819 429 E CB -0.192 29.515 29.700 0.011 0.000 0.745 429 E HN 0.593 nan 8.360 nan 0.000 0.477 430 N N 0.141 118.844 118.700 0.005 0.000 2.251 430 N HA 0.000 4.740 4.740 -0.000 0.000 0.217 430 N C -0.511 175.000 175.510 0.001 0.000 1.124 430 N CA 0.039 53.092 53.050 0.004 0.000 0.843 430 N CB 0.650 39.141 38.487 0.006 0.000 1.024 430 N HN -0.073 nan 8.380 nan 0.000 0.501 431 K N 0.306 120.703 120.400 -0.005 0.000 3.209 431 K HA -0.163 4.157 4.320 -0.000 0.000 0.289 431 K C -0.269 176.315 176.600 -0.027 0.000 1.191 431 K CA 0.633 56.911 56.287 -0.015 0.000 0.851 431 K CB -2.078 30.415 32.500 -0.011 0.000 1.242 431 K HN 0.410 nan 8.250 nan 0.000 0.480 432 I N 2.396 122.953 120.570 -0.022 0.000 2.276 432 I HA 0.224 4.393 4.170 -0.000 0.000 0.290 432 I C 1.012 177.049 176.117 -0.134 0.000 1.109 432 I CA -0.568 60.711 61.300 -0.035 0.000 1.229 432 I CB -0.014 38.010 38.000 0.039 0.000 1.452 432 I HN 0.060 nan 8.210 nan 0.000 0.497 433 I N 2.628 123.073 120.570 -0.208 0.000 2.493 433 I HA 0.498 4.668 4.170 -0.000 0.000 0.298 433 I C -0.041 175.770 176.117 -0.510 0.000 0.998 433 I CA -0.999 60.105 61.300 -0.325 0.000 1.137 433 I CB 1.907 39.806 38.000 -0.168 0.000 1.310 433 I HN 0.475 nan 8.210 nan 0.000 0.445 434 M N 5.514 124.661 119.600 -0.755 0.000 2.356 434 M HA 0.200 4.680 4.480 -0.000 0.000 0.348 434 M C 1.087 177.259 176.300 -0.214 0.000 1.595 434 M CA 0.299 55.216 55.300 -0.639 0.000 1.095 434 M CB 1.173 33.526 32.600 -0.412 0.000 1.963 434 M HN 1.000 nan 8.290 nan 0.000 0.459 435 A N 5.187 127.956 122.820 -0.085 0.000 1.835 435 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 435 A C 0.849 178.520 177.584 0.146 0.000 1.199 435 A CA 1.894 53.965 52.037 0.056 0.000 0.615 435 A CB -0.380 18.713 19.000 0.155 0.000 0.838 435 A HN 0.951 nan 8.150 nan 0.000 0.444 436 H N -4.204 114.845 119.070 -0.036 0.000 2.947 436 H HA 0.382 4.938 4.556 -0.000 0.000 0.290 436 H C 0.189 175.505 175.328 -0.020 0.000 1.430 436 H CA -0.352 55.680 56.048 -0.027 0.000 1.189 436 H CB -0.254 29.498 29.762 -0.016 0.000 1.875 436 H HN 0.072 nan 8.280 nan 0.000 0.568 437 N N -0.069 118.526 118.700 -0.176 0.000 2.192 437 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 437 N C 0.344 175.627 175.510 -0.379 0.000 1.013 437 N CA 1.733 54.644 53.050 -0.232 0.000 0.863 437 N CB 0.086 38.514 38.487 -0.098 0.000 0.990 437 N HN 0.579 nan 8.380 nan 0.000 0.430 438 E N -0.125 119.608 120.200 -0.779 0.000 2.585 438 E HA 0.022 4.372 4.350 -0.000 0.000 0.206 438 E C -0.726 175.574 176.600 -0.501 0.000 1.007 438 E CA -0.187 55.911 56.400 -0.505 0.000 1.028 438 E CB 0.178 29.798 29.700 -0.134 0.000 1.087 438 E HN 0.190 nan 8.360 nan 0.000 0.455 439 D N 1.998 122.061 120.400 -0.562 0.000 2.540 439 D HA -0.041 4.599 4.640 -0.000 0.000 0.237 439 D C 0.761 177.109 176.300 0.080 0.000 1.181 439 D CA 0.328 54.293 54.000 -0.059 0.000 1.119 439 D CB 0.079 40.911 40.800 0.054 0.000 1.119 439 D HN 0.177 nan 8.370 nan 0.000 0.498 440 E N 1.202 121.441 120.200 0.065 0.000 2.130 440 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 440 E C 1.504 178.164 176.600 0.099 0.000 0.998 440 E CA 0.833 57.277 56.400 0.073 0.000 0.806 440 E CB 0.119 29.855 29.700 0.060 0.000 0.738 440 E HN 0.597 nan 8.360 nan 0.000 0.459 441 E N 0.176 120.446 120.200 0.117 0.000 2.171 441 E HA -0.250 4.100 4.350 -0.000 0.000 0.197 441 E C 1.697 178.397 176.600 0.168 0.000 0.997 441 E CA 1.131 57.601 56.400 0.116 0.000 0.810 441 E CB -0.087 29.678 29.700 0.107 0.000 0.738 441 E HN 0.461 nan 8.360 nan 0.000 0.467 442 Y N 0.539 120.860 120.300 0.036 0.000 2.117 442 Y HA -0.211 4.339 4.550 -0.000 0.000 0.277 442 Y C 2.415 178.346 175.900 0.052 0.000 1.104 442 Y CA 1.178 59.302 58.100 0.039 0.000 1.089 442 Y CB -0.332 38.154 38.460 0.044 0.000 0.999 442 Y HN 0.088 nan 8.280 nan 0.000 0.480 443 L N 0.894 122.090 121.223 -0.045 0.000 2.085 443 L HA -0.361 3.979 4.340 -0.000 0.000 0.218 443 L C 2.450 179.268 176.870 -0.085 0.000 1.080 443 L CA 1.897 56.658 54.840 -0.132 0.000 0.776 443 L CB -0.705 41.367 42.059 0.022 0.000 0.891 443 L HN 0.488 nan 8.230 nan 0.000 0.437 444 A N -0.381 122.435 122.820 -0.007 0.000 1.978 444 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 444 A C 2.006 179.577 177.584 -0.022 0.000 1.170 444 A CA 2.000 54.037 52.037 -0.000 0.000 0.636 444 A CB -0.663 18.354 19.000 0.028 0.000 0.810 444 A HN 0.659 nan 8.150 nan 0.000 0.448 445 N N -0.118 118.572 118.700 -0.017 0.000 2.109 445 N HA -0.038 4.702 4.740 -0.000 0.000 0.188 445 N C 1.782 177.227 175.510 -0.108 0.000 1.034 445 N CA 1.085 54.123 53.050 -0.021 0.000 0.846 445 N CB -0.429 38.102 38.487 0.072 0.000 1.010 445 N HN 0.470 nan 8.380 nan 0.000 0.425 446 L N 2.002 123.094 121.223 -0.218 0.000 2.051 446 L HA -0.232 4.107 4.340 -0.000 0.000 0.214 446 L C 2.326 179.043 176.870 -0.255 0.000 1.076 446 L CA 1.399 56.048 54.840 -0.317 0.000 0.758 446 L CB -0.300 41.485 42.059 -0.456 0.000 0.890 446 L HN 0.238 nan 8.230 nan 0.000 0.433 447 E N -0.539 119.563 120.200 -0.165 0.000 2.048 447 E HA -0.252 4.098 4.350 -0.000 0.000 0.202 447 E C 1.981 178.508 176.600 -0.121 0.000 1.021 447 E CA 2.269 58.607 56.400 -0.105 0.000 0.825 447 E CB -0.522 29.156 29.700 -0.037 0.000 0.756 447 E HN 0.536 nan 8.360 nan 0.000 0.454 448 T N 1.904 116.401 114.554 -0.094 0.000 2.746 448 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 448 T C 2.002 176.629 174.700 -0.121 0.000 1.039 448 T CA 0.837 62.890 62.100 -0.079 0.000 1.142 448 T CB -0.074 68.764 68.868 -0.049 0.000 0.866 448 T HN 0.025 nan 8.240 nan 0.000 0.444 449 I N 1.207 121.683 120.570 -0.158 0.000 2.163 449 I HA -0.055 4.114 4.170 -0.000 0.000 0.240 449 I C 2.414 178.362 176.117 -0.283 0.000 1.081 449 I CA 1.072 62.260 61.300 -0.186 0.000 1.353 449 I CB -1.481 36.408 38.000 -0.185 0.000 1.054 449 I HN 0.252 nan 8.210 nan 0.000 0.407 450 L N 0.101 121.074 121.223 -0.417 0.000 1.997 450 L HA -0.286 4.053 4.340 -0.000 0.000 0.216 450 L C 2.836 179.367 176.870 -0.565 0.000 1.074 450 L CA 1.751 56.166 54.840 -0.709 0.000 0.763 450 L CB -0.742 40.601 42.059 -1.194 0.000 0.890 450 L HN 0.227 nan 8.230 nan 0.000 0.434 451 R N -0.016 120.287 120.500 -0.328 0.000 2.096 451 R HA -0.211 4.129 4.340 -0.000 0.000 0.240 451 R C 1.975 178.234 176.300 -0.069 0.000 1.139 451 R CA 2.177 58.239 56.100 -0.063 0.000 0.952 451 R CB -0.257 30.047 30.300 0.006 0.000 0.854 451 R HN 0.424 nan 8.270 nan 0.000 0.436 452 D N -0.390 119.946 120.400 -0.107 0.000 2.117 452 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 452 D C 1.990 178.223 176.300 -0.111 0.000 0.982 452 D CA 1.108 55.061 54.000 -0.078 0.000 0.828 452 D CB -0.156 40.605 40.800 -0.066 0.000 0.967 452 D HN 0.092 nan 8.370 nan 0.000 0.464 453 V N 1.393 121.177 119.914 -0.216 0.000 2.287 453 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 453 V C 2.473 178.310 176.094 -0.429 0.000 1.053 453 V CA 1.853 63.939 62.300 -0.356 0.000 1.027 453 V CB -0.454 31.047 31.823 -0.537 0.000 0.646 453 V HN 0.119 nan 8.190 nan 0.000 0.447 454 K N 0.505 120.722 120.400 -0.305 0.000 1.991 454 K HA -0.208 4.112 4.320 -0.000 0.000 0.212 454 K C 2.100 178.710 176.600 0.016 0.000 1.049 454 K CA 2.506 58.727 56.287 -0.110 0.000 0.932 454 K CB -0.992 31.567 32.500 0.098 0.000 0.717 454 K HN 0.434 nan 8.250 nan 0.000 0.441 455 T N 0.552 115.116 114.554 0.016 0.000 2.699 455 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 455 T C 1.789 176.523 174.700 0.057 0.000 1.036 455 T CA 1.546 63.671 62.100 0.042 0.000 1.147 455 T CB -0.601 68.285 68.868 0.029 0.000 0.862 455 T HN 0.468 nan 8.240 nan 0.000 0.446 456 A N 1.333 124.197 122.820 0.072 0.000 1.841 456 A HA 0.001 4.321 4.320 -0.000 0.000 0.214 456 A C 1.936 179.688 177.584 0.280 0.000 1.195 456 A CA 1.279 53.406 52.037 0.150 0.000 0.611 456 A CB -1.082 18.029 19.000 0.184 0.000 0.835 456 A HN 0.392 nan 8.150 nan 0.000 0.443 457 F N 0.992 120.974 119.950 0.052 0.000 2.184 457 F HA -0.186 4.341 4.527 -0.000 0.000 0.301 457 F C 2.052 177.882 175.800 0.050 0.000 1.076 457 F CA 1.185 59.227 58.000 0.071 0.000 1.295 457 F CB -0.740 38.301 39.000 0.068 0.000 1.026 457 F HN 0.320 nan 8.300 nan 0.000 0.494 458 N N 0.367 119.200 118.700 0.223 0.000 2.383 458 N HA -0.067 4.673 4.740 -0.000 0.000 0.192 458 N C 0.359 175.857 175.510 -0.020 0.000 1.141 458 N CA -0.030 53.080 53.050 0.101 0.000 0.851 458 N CB -0.047 38.497 38.487 0.095 0.000 0.976 458 N HN 0.397 nan 8.380 nan 0.000 0.465 459 E N 1.345 121.459 120.200 -0.144 0.000 2.465 459 E HA 0.110 4.460 4.350 -0.000 0.000 0.260 459 E C -0.230 176.085 176.600 -0.474 0.000 0.980 459 E CA -0.415 55.710 56.400 -0.460 0.000 0.927 459 E CB 0.596 29.681 29.700 -1.025 0.000 0.934 459 E HN 0.159 nan 8.360 nan 0.000 0.459 460 A N 3.722 126.374 122.820 -0.279 0.000 2.477 460 A HA 0.115 4.435 4.320 -0.000 0.000 0.246 460 A C 0.737 178.286 177.584 -0.058 0.000 1.078 460 A CA 0.415 52.388 52.037 -0.107 0.000 0.770 460 A CB 1.107 20.104 19.000 -0.004 0.000 1.011 460 A HN 0.661 nan 8.150 nan 0.000 0.494 461 S N 0.277 116.006 115.700 0.049 0.000 2.930 461 S HA 0.351 4.821 4.470 -0.000 0.000 0.253 461 S C 0.530 175.139 174.600 0.015 0.000 1.083 461 S CA 0.953 59.232 58.200 0.132 0.000 0.836 461 S CB -0.145 63.093 63.200 0.063 0.000 0.814 461 S HN 1.936 nan 8.310 nan 0.000 0.467 462 S N -0.173 115.492 115.700 -0.058 0.000 2.636 462 S HA 0.625 5.095 4.470 -0.000 0.000 0.266 462 S C -1.484 173.096 174.600 -0.033 0.000 1.147 462 S CA -0.970 57.204 58.200 -0.044 0.000 0.815 462 S CB 0.623 63.754 63.200 -0.115 0.000 1.119 462 S HN 0.274 nan 8.310 nan 0.000 0.470 463 I N 0.976 121.539 120.570 -0.011 0.000 2.562 463 I HA 0.611 4.781 4.170 -0.000 0.000 0.301 463 I C -0.450 175.678 176.117 0.018 0.000 1.003 463 I CA -0.470 60.833 61.300 0.005 0.000 1.127 463 I CB 2.295 40.294 38.000 -0.002 0.000 1.304 463 I HN 0.678 nan 8.210 nan 0.000 0.446 464 T N 6.066 120.640 114.554 0.033 0.000 2.879 464 T HA 0.444 4.794 4.350 -0.000 0.000 0.290 464 T C -0.365 174.379 174.700 0.073 0.000 0.993 464 T CA -0.440 61.686 62.100 0.044 0.000 0.975 464 T CB 1.241 70.106 68.868 -0.004 0.000 0.981 464 T HN 0.298 nan 8.240 nan 0.000 0.439 465 L N 4.162 125.445 121.223 0.100 0.000 2.358 465 L HA 0.354 4.694 4.340 -0.000 0.000 0.274 465 L C -0.267 176.694 176.870 0.153 0.000 1.136 465 L CA -0.755 54.154 54.840 0.115 0.000 0.970 465 L CB -0.231 41.887 42.059 0.098 0.000 1.314 465 L HN 0.666 nan 8.230 nan 0.000 0.427 466 Y N 3.600 123.887 120.300 -0.023 0.000 2.620 466 Y HA 0.314 4.864 4.550 -0.000 0.000 0.330 466 Y C 1.280 177.243 175.900 0.105 0.000 1.186 466 Y CA 1.357 59.407 58.100 -0.083 0.000 1.467 466 Y CB 0.558 38.915 38.460 -0.170 0.000 1.262 466 Y HN 0.738 nan 8.280 nan 0.000 0.550 467 G N 5.176 113.952 108.800 -0.040 0.000 2.550 467 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.277 467 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.277 467 G C 0.537 175.526 174.900 0.148 0.000 1.190 467 G CA 0.476 45.676 45.100 0.167 0.000 0.971 467 G HN 0.630 nan 8.290 nan 0.000 0.559 468 D N 1.299 121.786 120.400 0.145 0.000 2.277 468 D HA 0.111 4.751 4.640 -0.000 0.000 0.209 468 D C 1.988 178.326 176.300 0.062 0.000 0.970 468 D CA 1.546 55.596 54.000 0.083 0.000 0.874 468 D CB 0.289 41.131 40.800 0.069 0.000 0.982 468 D HN 0.786 nan 8.370 nan 0.000 0.504 469 E N -0.219 120.002 120.200 0.035 0.000 2.744 469 E HA 0.107 4.457 4.350 -0.000 0.000 0.210 469 E C -0.013 176.523 176.600 -0.106 0.000 0.950 469 E CA -0.221 56.179 56.400 0.001 0.000 1.282 469 E CB 0.556 30.274 29.700 0.031 0.000 1.123 469 E HN -0.069 nan 8.360 nan 0.000 0.544 470 I N 3.009 123.501 120.570 -0.129 0.000 2.505 470 I HA 0.178 4.348 4.170 -0.000 0.000 0.287 470 I C 0.549 176.722 176.117 0.094 0.000 1.104 470 I CA -0.458 60.731 61.300 -0.185 0.000 1.387 470 I CB -0.301 37.730 38.000 0.053 0.000 1.404 470 I HN 0.206 nan 8.210 nan 0.000 0.528 471 I N 7.191 127.897 120.570 0.227 0.000 2.533 471 I HA 0.101 4.271 4.170 -0.000 0.000 0.284 471 I C -0.015 176.244 176.117 0.238 0.000 1.109 471 I CA 0.031 61.465 61.300 0.224 0.000 1.412 471 I CB 0.818 38.963 38.000 0.242 0.000 1.396 471 I HN 0.399 nan 8.210 nan 0.000 0.543 472 L N 7.784 129.113 121.223 0.177 0.000 2.422 472 L HA 0.666 5.006 4.340 -0.000 0.000 0.264 472 L C -1.091 175.873 176.870 0.156 0.000 0.984 472 L CA -0.475 54.472 54.840 0.178 0.000 0.819 472 L CB 2.146 44.258 42.059 0.088 0.000 1.330 472 L HN 0.254 nan 8.230 nan 0.000 0.410 473 V N 4.033 124.069 119.914 0.203 0.000 2.540 473 V HA 0.577 4.697 4.120 -0.000 0.000 0.302 473 V C -0.709 175.462 176.094 0.127 0.000 1.035 473 V CA -0.806 61.583 62.300 0.149 0.000 0.873 473 V CB 1.962 33.912 31.823 0.211 0.000 0.992 473 V HN 0.789 nan 8.190 nan 0.000 0.428 474 N N 2.506 121.226 118.700 0.034 0.000 2.419 474 N HA 0.435 5.175 4.740 -0.000 0.000 0.277 474 N C -0.486 174.950 175.510 -0.122 0.000 1.006 474 N CA -0.301 52.714 53.050 -0.057 0.000 0.923 474 N CB 1.708 40.107 38.487 -0.146 0.000 1.140 474 N HN 0.611 nan 8.380 nan 0.000 0.488 475 C N 0.797 120.008 119.300 -0.148 0.000 2.347 475 C HA 0.361 4.821 4.460 -0.000 0.000 0.366 475 C C 2.286 177.329 174.990 0.089 0.000 1.241 475 C CA -0.749 58.256 59.018 -0.022 0.000 2.360 475 C CB -0.161 27.582 27.740 0.005 0.000 2.290 475 C HN 0.741 nan 8.230 nan 0.000 0.587 476 F N -0.280 119.617 119.950 -0.089 0.000 2.102 476 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 476 F C 1.766 177.563 175.800 -0.005 0.000 1.105 476 F CA 0.925 58.877 58.000 -0.080 0.000 1.239 476 F CB -0.034 38.955 39.000 -0.019 0.000 0.991 476 F HN 0.537 nan 8.300 nan 0.000 0.474 477 Q N 2.433 122.317 119.800 0.140 0.000 2.288 477 Q HA 0.173 4.513 4.340 -0.000 0.000 0.258 477 Q C -2.415 173.479 176.000 -0.176 0.000 0.957 477 Q CA -2.717 52.981 55.803 -0.174 0.000 0.919 477 Q CB 0.640 28.996 28.738 -0.636 0.000 1.185 477 Q HN -0.126 nan 8.270 nan 0.000 0.408 478 P HA -0.101 nan 4.420 nan 0.000 0.266 478 P C -0.971 175.900 177.300 -0.714 0.000 1.195 478 P CA 0.446 62.962 63.100 -0.973 0.000 0.768 478 P CB 0.246 31.162 31.700 -1.307 0.000 0.838 479 Y N -1.134 119.040 120.300 -0.210 0.000 4.912 479 Y HA -0.185 4.365 4.550 -0.000 0.000 0.252 479 Y C 0.218 176.143 175.900 0.042 0.000 0.965 479 Y CA 0.069 58.088 58.100 -0.135 0.000 1.978 479 Y CB -2.728 35.588 38.460 -0.239 0.000 1.477 479 Y HN 0.446 nan 8.280 nan 0.000 0.606 480 N N 1.468 120.187 118.700 0.031 0.000 2.399 480 N HA 0.416 5.155 4.740 -0.000 0.000 0.280 480 N C -0.573 174.835 175.510 -0.170 0.000 1.008 480 N CA -0.424 52.659 53.050 0.054 0.000 0.894 480 N CB 1.514 40.053 38.487 0.088 0.000 1.273 480 N HN 0.303 nan 8.380 nan 0.000 0.486 481 H N -0.161 118.998 119.070 0.149 0.000 2.949 481 H HA 0.450 5.006 4.556 -0.000 0.000 0.356 481 H C -0.740 174.656 175.328 0.113 0.000 1.212 481 H CA -0.599 55.524 56.048 0.124 0.000 1.136 481 H CB 2.281 32.114 29.762 0.119 0.000 1.869 481 H HN 0.310 nan 8.280 nan 0.000 0.556 482 S N 1.602 117.438 115.700 0.226 0.000 2.733 482 S HA 0.240 4.710 4.470 -0.000 0.000 0.294 482 S C -0.611 174.054 174.600 0.109 0.000 1.149 482 S CA -0.618 57.646 58.200 0.107 0.000 1.034 482 S CB 1.212 64.447 63.200 0.059 0.000 1.015 482 S HN 0.366 nan 8.310 nan 0.000 0.486 483 L N 4.247 125.492 121.223 0.037 0.000 2.292 483 L HA 0.556 4.896 4.340 -0.000 0.000 0.284 483 L C -1.531 175.294 176.870 -0.075 0.000 1.065 483 L CA -0.518 54.365 54.840 0.072 0.000 0.806 483 L CB 0.466 42.556 42.059 0.052 0.000 1.175 483 L HN 0.629 nan 8.230 nan 0.000 0.431 484 Y N 5.293 125.644 120.300 0.086 0.000 2.434 484 Y HA 0.307 4.857 4.550 -0.000 0.000 0.341 484 Y C 0.066 176.014 175.900 0.080 0.000 0.965 484 Y CA -0.258 57.870 58.100 0.046 0.000 1.205 484 Y CB 0.962 39.443 38.460 0.036 0.000 1.121 484 Y HN 0.466 nan 8.280 nan 0.000 0.507 485 K N 4.237 124.668 120.400 0.052 0.000 2.183 485 K HA 0.316 4.636 4.320 -0.000 0.000 0.274 485 K C -0.782 175.689 176.600 -0.215 0.000 1.009 485 K CA -0.985 55.302 56.287 -0.001 0.000 0.888 485 K CB 0.867 33.351 32.500 -0.027 0.000 1.078 485 K HN 0.603 nan 8.250 nan 0.000 0.459 486 L N 4.614 125.501 121.223 -0.560 0.000 2.540 486 L HA 0.029 4.369 4.340 -0.000 0.000 0.276 486 L C -0.585 176.136 176.870 -0.248 0.000 1.212 486 L CA 0.528 55.052 54.840 -0.526 0.000 0.893 486 L CB 0.088 41.670 42.059 -0.794 0.000 1.138 486 L HN 0.601 nan 8.230 nan 0.000 0.491 487 N N 2.381 120.979 118.700 -0.170 0.000 2.529 487 N HA 0.245 4.985 4.740 -0.000 0.000 0.278 487 N C -0.023 175.422 175.510 -0.108 0.000 1.146 487 N CA 0.077 53.072 53.050 -0.092 0.000 0.980 487 N CB 0.874 39.349 38.487 -0.021 0.000 1.124 487 N HN 0.769 nan 8.380 nan 0.000 0.458 488 T N -1.972 112.522 114.554 -0.101 0.000 2.770 488 T HA 0.149 4.498 4.350 -0.000 0.000 0.281 488 T C 1.434 176.008 174.700 -0.209 0.000 0.981 488 T CA -0.353 61.670 62.100 -0.129 0.000 0.955 488 T CB 0.310 69.114 68.868 -0.108 0.000 1.060 488 T HN 0.362 nan 8.240 nan 0.000 0.531 489 T N 0.823 115.201 114.554 -0.293 0.000 2.580 489 T HA -0.149 4.201 4.350 -0.000 0.000 0.265 489 T C 2.164 176.343 174.700 -0.868 0.000 1.063 489 T CA 1.871 63.627 62.100 -0.574 0.000 1.170 489 T CB -0.776 67.728 68.868 -0.607 0.000 0.863 489 T HN 0.537 nan 8.240 nan 0.000 0.418 490 V N 1.790 121.316 119.914 -0.648 0.000 2.324 490 V HA -0.246 3.874 4.120 -0.000 0.000 0.250 490 V C 2.422 178.481 176.094 -0.058 0.000 1.060 490 V CA 1.877 63.978 62.300 -0.333 0.000 1.042 490 V CB -0.876 30.958 31.823 0.019 0.000 0.650 490 V HN 0.564 nan 8.190 nan 0.000 0.450 491 E N 0.397 120.557 120.200 -0.065 0.000 2.051 491 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 491 E C 2.191 178.914 176.600 0.206 0.000 0.991 491 E CA 1.297 57.741 56.400 0.073 0.000 0.799 491 E CB -0.320 29.426 29.700 0.078 0.000 0.748 491 E HN 0.590 nan 8.360 nan 0.000 0.449 492 N N 0.291 119.014 118.700 0.039 0.000 2.149 492 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 492 N C 1.492 177.127 175.510 0.209 0.000 1.019 492 N CA 0.988 54.081 53.050 0.073 0.000 0.857 492 N CB -0.188 38.234 38.487 -0.108 0.000 0.997 492 N HN 0.326 nan 8.380 nan 0.000 0.426 493 W N 0.708 122.118 121.300 0.183 0.000 2.381 493 W HA -0.030 4.630 4.660 -0.000 0.000 0.301 493 W C 2.185 178.832 176.519 0.214 0.000 1.205 493 W CA -0.097 57.407 57.345 0.265 0.000 1.285 493 W CB -1.488 28.174 29.460 0.337 0.000 1.133 493 W HN -0.000 nan 8.180 nan 0.000 0.521 494 F N -0.018 120.082 119.950 0.251 0.000 2.069 494 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 494 F C 1.984 177.752 175.800 -0.054 0.000 1.113 494 F CA 1.775 59.777 58.000 0.004 0.000 1.214 494 F CB -0.966 37.910 39.000 -0.205 0.000 0.978 494 F HN -0.246 nan 8.300 nan 0.000 0.474 495 Y N 0.291 120.692 120.300 0.169 0.000 2.578 495 Y HA 0.082 4.632 4.550 -0.000 0.000 0.297 495 Y C 0.733 176.638 175.900 0.008 0.000 1.176 495 Y CA 0.442 58.573 58.100 0.051 0.000 1.315 495 Y CB -0.552 37.994 38.460 0.145 0.000 1.031 495 Y HN 0.165 nan 8.280 nan 0.000 0.524 496 N N -1.229 117.568 118.700 0.161 0.000 2.475 496 N HA 0.071 4.811 4.740 -0.000 0.000 0.272 496 N C 1.016 176.621 175.510 0.159 0.000 1.482 496 N CA 0.145 53.275 53.050 0.132 0.000 0.863 496 N CB 0.327 38.879 38.487 0.108 0.000 1.400 496 N HN 0.182 nan 8.380 nan 0.000 0.489 497 M N 0.296 119.916 119.600 0.035 0.000 2.065 497 M HA -0.101 4.379 4.480 -0.000 0.000 0.259 497 M C 0.621 176.878 176.300 -0.071 0.000 1.069 497 M CA 1.588 56.855 55.300 -0.055 0.000 1.110 497 M CB -0.874 31.442 32.600 -0.473 0.000 1.328 497 M HN 0.205 nan 8.290 nan 0.000 0.405 498 H N 0.409 119.533 119.070 0.091 0.000 2.794 498 H HA 0.289 4.845 4.556 -0.000 0.000 0.256 498 H C 0.700 176.080 175.328 0.087 0.000 1.637 498 H CA 0.297 56.390 56.048 0.075 0.000 1.222 498 H CB -0.175 29.609 29.762 0.036 0.000 1.545 498 H HN 0.358 nan 8.280 nan 0.000 0.518 499 S N -1.215 114.596 115.700 0.184 0.000 4.476 499 S HA -0.067 4.402 4.470 -0.000 0.000 0.193 499 S C 0.273 174.921 174.600 0.079 0.000 1.131 499 S CA -0.613 57.659 58.200 0.121 0.000 1.198 499 S CB 0.988 64.243 63.200 0.091 0.000 1.566 499 S HN 0.210 nan 8.310 nan 0.000 0.507 500 E N 3.099 123.307 120.200 0.013 0.000 3.089 500 E HA -0.026 4.323 4.350 -0.000 0.000 0.226 500 E C 0.402 176.997 176.600 -0.009 0.000 1.083 500 E CA 0.455 56.759 56.400 -0.160 0.000 0.938 500 E CB -0.147 29.069 29.700 -0.807 0.000 0.942 500 E HN 0.445 nan 8.360 nan 0.000 0.549 501 T N 2.723 117.281 114.554 0.007 0.000 2.652 501 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 501 T C 1.107 175.842 174.700 0.058 0.000 1.039 501 T CA 1.861 63.988 62.100 0.046 0.000 1.153 501 T CB 0.055 68.939 68.868 0.027 0.000 0.863 501 T HN 0.609 nan 8.240 nan 0.000 0.428 502 D N 0.169 120.577 120.400 0.014 0.000 2.562 502 D HA 0.435 5.075 4.640 -0.000 0.000 0.271 502 D C 0.901 177.221 176.300 0.034 0.000 1.198 502 D CA 0.437 54.456 54.000 0.032 0.000 1.071 502 D CB -0.528 40.278 40.800 0.011 0.000 1.011 502 D HN 0.495 nan 8.370 nan 0.000 0.327 503 G N -0.535 108.261 108.800 -0.006 0.000 2.675 503 G HA2 0.135 4.095 3.960 -0.000 0.000 0.686 503 G HA3 0.135 4.095 3.960 -0.000 0.000 0.686 503 G C -0.012 174.987 174.900 0.165 0.000 1.215 503 G CA -0.047 45.053 45.100 -0.000 0.000 0.777 503 G HN 0.900 nan 8.290 nan 0.000 0.638 504 S N 0.092 115.904 115.700 0.187 0.000 2.626 504 S HA 0.492 4.962 4.470 -0.000 0.000 0.257 504 S C 1.252 175.923 174.600 0.118 0.000 1.288 504 S CA 0.548 58.838 58.200 0.150 0.000 0.980 504 S CB 1.274 64.580 63.200 0.176 0.000 0.975 504 S HN 0.733 nan 8.310 nan 0.000 0.577 505 E N -0.148 120.104 120.200 0.087 0.000 2.051 505 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 505 E C 1.879 178.446 176.600 -0.055 0.000 0.991 505 E CA 0.817 57.284 56.400 0.111 0.000 0.799 505 E CB -0.640 29.128 29.700 0.114 0.000 0.748 505 E HN 0.601 nan 8.360 nan 0.000 0.449 506 L N 0.656 121.776 121.223 -0.171 0.000 2.079 506 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 506 L C 2.223 178.714 176.870 -0.631 0.000 1.081 506 L CA 1.431 56.053 54.840 -0.364 0.000 0.752 506 L CB -0.755 41.095 42.059 -0.348 0.000 0.896 506 L HN 0.067 nan 8.230 nan 0.000 0.433 507 F N 0.496 119.933 119.950 -0.856 0.000 2.075 507 F HA -0.215 4.312 4.527 -0.000 0.000 0.297 507 F C 2.324 177.852 175.800 -0.453 0.000 1.113 507 F CA 1.991 59.408 58.000 -0.971 0.000 1.218 507 F CB -0.397 38.167 39.000 -0.725 0.000 0.984 507 F HN 0.018 nan 8.300 nan 0.000 0.472 508 K N -1.061 119.055 120.400 -0.472 0.000 2.097 508 K HA -0.240 4.080 4.320 -0.000 0.000 0.206 508 K C 2.041 178.425 176.600 -0.359 0.000 1.049 508 K CA 1.808 57.898 56.287 -0.327 0.000 0.933 508 K CB -0.691 31.910 32.500 0.169 0.000 0.717 508 K HN 0.455 nan 8.250 nan 0.000 0.442 509 Y N 1.589 121.427 120.300 -0.770 0.000 2.163 509 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 509 Y C 1.679 177.162 175.900 -0.695 0.000 1.136 509 Y CA 1.346 58.725 58.100 -1.203 0.000 1.147 509 Y CB -0.247 37.439 38.460 -1.289 0.000 0.987 509 Y HN -0.090 nan 8.280 nan 0.000 0.509 510 L N 0.012 120.815 121.223 -0.700 0.000 2.046 510 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 510 L C 2.763 179.291 176.870 -0.569 0.000 1.077 510 L CA 1.770 56.237 54.840 -0.622 0.000 0.747 510 L CB -0.632 41.177 42.059 -0.416 0.000 0.896 510 L HN 0.163 nan 8.230 nan 0.000 0.432 511 R N 0.213 120.304 120.500 -0.682 0.000 2.091 511 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 511 R C 2.404 178.493 176.300 -0.352 0.000 1.136 511 R CA 2.140 57.904 56.100 -0.559 0.000 0.959 511 R CB -0.277 29.575 30.300 -0.747 0.000 0.856 511 R HN 0.508 nan 8.270 nan 0.000 0.437 512 T N -1.376 112.980 114.554 -0.329 0.000 2.995 512 T HA -0.059 4.290 4.350 -0.000 0.000 0.269 512 T C 1.805 176.384 174.700 -0.202 0.000 1.091 512 T CA 0.544 62.534 62.100 -0.183 0.000 1.128 512 T CB -0.054 68.777 68.868 -0.062 0.000 0.891 512 T HN 0.096 nan 8.240 nan 0.000 0.492 513 L N 2.190 123.190 121.223 -0.371 0.000 2.072 513 L HA 0.141 4.480 4.340 -0.000 0.000 0.205 513 L C 2.609 179.382 176.870 -0.162 0.000 1.079 513 L CA 1.446 56.093 54.840 -0.322 0.000 0.752 513 L CB -0.916 40.818 42.059 -0.541 0.000 0.906 513 L HN 0.447 nan 8.230 nan 0.000 0.436 514 N N -0.628 117.953 118.700 -0.199 0.000 2.188 514 N HA -0.161 4.579 4.740 -0.000 0.000 0.184 514 N C 1.885 177.349 175.510 -0.076 0.000 1.018 514 N CA 1.104 54.071 53.050 -0.138 0.000 0.858 514 N CB -0.061 38.315 38.487 -0.185 0.000 0.989 514 N HN 0.388 nan 8.380 nan 0.000 0.426 515 G N 0.486 109.247 108.800 -0.064 0.000 2.513 515 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 515 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 515 G C 1.257 176.190 174.900 0.055 0.000 1.160 515 G CA 0.767 45.871 45.100 0.008 0.000 0.767 515 G HN 0.435 nan 8.290 nan 0.000 0.571 516 F N 2.049 121.955 119.950 -0.075 0.000 2.219 516 F HA 0.347 4.874 4.527 -0.000 0.000 0.294 516 F C 2.737 178.492 175.800 -0.075 0.000 1.086 516 F CA 1.016 58.976 58.000 -0.065 0.000 1.330 516 F CB -0.316 38.636 39.000 -0.081 0.000 1.047 516 F HN 0.208 nan 8.300 nan 0.000 0.495 517 A N -0.058 122.674 122.820 -0.147 0.000 2.019 517 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 517 A C 2.284 179.736 177.584 -0.220 0.000 1.164 517 A CA 1.831 53.729 52.037 -0.231 0.000 0.644 517 A CB -1.368 17.581 19.000 -0.087 0.000 0.805 517 A HN 0.512 nan 8.150 nan 0.000 0.449 518 S N -0.190 115.421 115.700 -0.148 0.000 2.447 518 S HA -0.138 4.332 4.470 -0.000 0.000 0.233 518 S C 1.746 176.276 174.600 -0.117 0.000 1.006 518 S CA 1.666 59.811 58.200 -0.092 0.000 0.957 518 S CB -1.187 61.996 63.200 -0.028 0.000 0.773 518 S HN 0.790 nan 8.310 nan 0.000 0.507 519 T N -0.157 114.275 114.554 -0.203 0.000 3.088 519 T HA 0.325 4.675 4.350 -0.000 0.000 0.259 519 T C 0.736 175.323 174.700 -0.188 0.000 1.122 519 T CA -0.174 61.819 62.100 -0.179 0.000 1.095 519 T CB -0.559 68.194 68.868 -0.192 0.000 0.930 519 T HN 0.322 nan 8.240 nan 0.000 0.508 520 L N 2.127 123.201 121.223 -0.247 0.000 2.479 520 L HA 0.481 4.821 4.340 -0.000 0.000 0.249 520 L C 0.917 177.730 176.870 -0.096 0.000 1.178 520 L CA -0.896 53.839 54.840 -0.176 0.000 0.811 520 L CB 0.678 42.609 42.059 -0.213 0.000 1.187 520 L HN 0.308 nan 8.230 nan 0.000 0.480 521 S N -1.262 114.399 115.700 -0.064 0.000 2.681 521 S HA 0.304 4.774 4.470 -0.000 0.000 0.299 521 S C 0.432 175.017 174.600 -0.024 0.000 1.113 521 S CA -0.813 57.365 58.200 -0.036 0.000 1.013 521 S CB 1.501 64.685 63.200 -0.027 0.000 1.076 521 S HN 0.534 nan 8.310 nan 0.000 0.534 522 N N 1.319 120.017 118.700 -0.003 0.000 2.069 522 N HA -0.096 4.644 4.740 -0.000 0.000 0.191 522 N C 0.892 176.408 175.510 0.010 0.000 1.031 522 N CA 1.903 54.962 53.050 0.015 0.000 0.852 522 N CB -0.638 37.868 38.487 0.032 0.000 1.018 522 N HN 0.714 nan 8.380 nan 0.000 0.423 523 D N -0.597 119.803 120.400 0.000 0.000 2.182 523 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 523 D C 1.860 178.145 176.300 -0.025 0.000 0.986 523 D CA 0.487 54.483 54.000 -0.007 0.000 0.847 523 D CB -0.101 40.693 40.800 -0.011 0.000 0.942 523 D HN 0.049 nan 8.370 nan 0.000 0.467 524 V N 0.302 120.195 119.914 -0.035 0.000 2.323 524 V HA -0.155 3.965 4.120 -0.000 0.000 0.244 524 V C 2.493 178.546 176.094 -0.068 0.000 1.041 524 V CA 0.985 63.252 62.300 -0.055 0.000 1.025 524 V CB -0.438 31.352 31.823 -0.054 0.000 0.656 524 V HN 0.212 nan 8.190 nan 0.000 0.451 525 L N -0.311 120.881 121.223 -0.051 0.000 2.042 525 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 525 L C 2.826 179.678 176.870 -0.030 0.000 1.076 525 L CA 1.806 56.618 54.840 -0.048 0.000 0.749 525 L CB -0.618 41.430 42.059 -0.020 0.000 0.893 525 L HN 0.267 nan 8.230 nan 0.000 0.432 526 R N -0.121 120.383 120.500 0.007 0.000 2.081 526 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 526 R C 2.565 178.843 176.300 -0.038 0.000 1.131 526 R CA 1.700 57.820 56.100 0.033 0.000 0.960 526 R CB -0.587 29.743 30.300 0.050 0.000 0.856 526 R HN 0.490 nan 8.270 nan 0.000 0.436 527 S N 0.647 116.304 115.700 -0.071 0.000 2.423 527 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 527 S C 1.992 176.475 174.600 -0.196 0.000 1.014 527 S CA 0.839 58.975 58.200 -0.107 0.000 0.965 527 S CB -0.274 62.870 63.200 -0.093 0.000 0.785 527 S HN 0.232 nan 8.310 nan 0.000 0.495 528 I N 1.249 121.666 120.570 -0.255 0.000 2.333 528 I HA -0.077 4.093 4.170 -0.000 0.000 0.246 528 I C 2.958 178.638 176.117 -0.727 0.000 1.106 528 I CA 1.080 62.074 61.300 -0.511 0.000 1.411 528 I CB -0.474 37.266 38.000 -0.434 0.000 1.082 528 I HN 0.397 nan 8.210 nan 0.000 0.420 529 S N 0.986 116.499 115.700 -0.313 0.000 2.368 529 S HA -0.253 4.217 4.470 -0.000 0.000 0.225 529 S C 2.076 176.626 174.600 -0.083 0.000 1.030 529 S CA 1.869 60.047 58.200 -0.037 0.000 0.999 529 S CB -0.115 63.232 63.200 0.245 0.000 0.844 529 S HN 0.226 nan 8.310 nan 0.000 0.459 530 K N 1.440 121.742 120.400 -0.162 0.000 2.063 530 K HA -0.040 4.280 4.320 -0.000 0.000 0.208 530 K C 2.045 178.581 176.600 -0.107 0.000 1.048 530 K CA 1.455 57.650 56.287 -0.153 0.000 0.928 530 K CB -0.239 32.191 32.500 -0.116 0.000 0.713 530 K HN 0.101 nan 8.250 nan 0.000 0.442 531 K N -0.211 120.070 120.400 -0.199 0.000 2.097 531 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 531 K C 2.023 178.620 176.600 -0.005 0.000 1.049 531 K CA 1.186 57.382 56.287 -0.152 0.000 0.933 531 K CB -0.398 31.941 32.500 -0.268 0.000 0.717 531 K HN 0.173 nan 8.250 nan 0.000 0.442 532 F N 1.248 121.178 119.950 -0.033 0.000 2.216 532 F HA -0.066 4.461 4.527 -0.000 0.000 0.300 532 F C 2.225 178.092 175.800 0.112 0.000 1.085 532 F CA 0.589 58.566 58.000 -0.038 0.000 1.326 532 F CB -0.986 37.802 39.000 -0.354 0.000 1.027 532 F HN -0.087 nan 8.300 nan 0.000 0.497 533 L N -0.490 120.922 121.223 0.316 0.000 2.141 533 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 533 L C 1.990 179.001 176.870 0.234 0.000 1.094 533 L CA 1.073 56.099 54.840 0.310 0.000 0.763 533 L CB -0.608 41.502 42.059 0.085 0.000 0.908 533 L HN 0.028 nan 8.230 nan 0.000 0.437 534 D N 0.292 120.779 120.400 0.146 0.000 2.178 534 D HA -0.124 4.516 4.640 -0.000 0.000 0.202 534 D C 2.265 178.634 176.300 0.116 0.000 0.974 534 D CA 1.128 55.194 54.000 0.109 0.000 0.841 534 D CB 0.047 40.887 40.800 0.067 0.000 0.953 534 D HN 0.345 nan 8.370 nan 0.000 0.478 535 I N 0.756 121.417 120.570 0.151 0.000 2.286 535 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 535 I C 2.111 178.274 176.117 0.076 0.000 1.115 535 I CA 0.590 61.966 61.300 0.127 0.000 1.392 535 I CB 0.036 38.142 38.000 0.177 0.000 1.065 535 I HN -0.022 nan 8.210 nan 0.000 0.418 536 I N 0.580 121.198 120.570 0.080 0.000 2.500 536 I HA -0.157 4.013 4.170 -0.000 0.000 0.252 536 I C 2.676 178.764 176.117 -0.048 0.000 1.142 536 I CA 1.748 63.020 61.300 -0.046 0.000 1.451 536 I CB -1.432 36.444 38.000 -0.206 0.000 1.093 536 I HN 0.361 nan 8.210 nan 0.000 0.430 537 T N -1.993 112.600 114.554 0.066 0.000 3.043 537 T HA 0.204 4.554 4.350 -0.000 0.000 0.263 537 T C 1.643 176.377 174.700 0.055 0.000 1.094 537 T CA 0.861 63.013 62.100 0.086 0.000 1.127 537 T CB 0.208 69.168 68.868 0.154 0.000 0.905 537 T HN 0.441 nan 8.240 nan 0.000 0.490 538 G N 1.133 109.962 108.800 0.049 0.000 2.179 538 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 538 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 538 G C 0.624 175.549 174.900 0.041 0.000 0.990 538 G CA 0.302 45.425 45.100 0.037 0.000 0.646 538 G HN 0.518 nan 8.290 nan 0.000 0.517 539 E N -0.540 119.690 120.200 0.050 0.000 2.265 539 E HA 0.067 4.417 4.350 -0.000 0.000 0.196 539 E C 0.920 177.544 176.600 0.040 0.000 0.996 539 E CA 0.469 56.894 56.400 0.042 0.000 0.832 539 E CB 0.015 29.740 29.700 0.042 0.000 0.756 539 E HN 0.521 nan 8.360 nan 0.000 0.491 540 L N 1.935 123.188 121.223 0.049 0.000 2.297 540 L HA 0.288 4.628 4.340 -0.000 0.000 0.277 540 L C -2.356 174.538 176.870 0.041 0.000 1.040 540 L CA -2.338 52.532 54.840 0.051 0.000 0.867 540 L CB 1.058 43.163 42.059 0.075 0.000 1.244 540 L HN -0.232 nan 8.230 nan 0.000 0.433 541 P HA -0.162 nan 4.420 nan 0.000 0.261 541 P C 0.244 177.552 177.300 0.013 0.000 1.158 541 P CA 0.471 63.583 63.100 0.020 0.000 0.758 541 P CB 0.604 32.313 31.700 0.016 0.000 0.763 542 D N 2.360 122.765 120.400 0.007 0.000 2.309 542 D HA -0.150 4.489 4.640 -0.000 0.000 0.212 542 D C 1.648 177.943 176.300 -0.008 0.000 0.968 542 D CA 1.600 55.599 54.000 -0.002 0.000 0.882 542 D CB -0.044 40.753 40.800 -0.005 0.000 0.918 542 D HN 0.320 nan 8.370 nan 0.000 0.503 543 S N -0.778 114.920 115.700 -0.003 0.000 2.402 543 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 543 S C 1.128 175.723 174.600 -0.009 0.000 1.021 543 S CA 0.176 58.372 58.200 -0.005 0.000 0.974 543 S CB -0.498 62.701 63.200 -0.001 0.000 0.800 543 S HN 0.212 nan 8.310 nan 0.000 0.484 544 M N 2.648 122.245 119.600 -0.005 0.000 2.232 544 M HA 0.183 4.663 4.480 -0.000 0.000 0.321 544 M C 0.730 177.014 176.300 -0.028 0.000 1.101 544 M CA -0.008 55.288 55.300 -0.008 0.000 1.181 544 M CB 0.548 33.152 32.600 0.006 0.000 1.432 544 M HN 0.382 nan 8.290 nan 0.000 0.457 545 T N -1.717 112.815 114.554 -0.037 0.000 2.913 545 T HA 0.190 4.540 4.350 -0.000 0.000 0.287 545 T C 0.979 175.611 174.700 -0.114 0.000 1.008 545 T CA -0.757 61.303 62.100 -0.066 0.000 1.067 545 T CB 1.115 69.949 68.868 -0.056 0.000 0.996 545 T HN 0.688 nan 8.240 nan 0.000 0.513 546 T N 1.818 116.260 114.554 -0.186 0.000 2.665 546 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 546 T C 2.086 176.521 174.700 -0.441 0.000 1.035 546 T CA 1.687 63.562 62.100 -0.376 0.000 1.151 546 T CB -0.534 68.067 68.868 -0.445 0.000 0.862 546 T HN 0.546 nan 8.240 nan 0.000 0.438 547 V N 1.404 121.162 119.914 -0.259 0.000 2.469 547 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 547 V C 2.423 178.505 176.094 -0.020 0.000 1.064 547 V CA 1.696 63.922 62.300 -0.124 0.000 1.066 547 V CB -0.659 31.135 31.823 -0.049 0.000 0.667 547 V HN 0.573 nan 8.190 nan 0.000 0.461 548 E N 0.054 120.238 120.200 -0.026 0.000 2.072 548 E HA -0.194 4.156 4.350 -0.000 0.000 0.190 548 E C 2.310 178.959 176.600 0.082 0.000 0.982 548 E CA 1.110 57.527 56.400 0.028 0.000 0.803 548 E CB -0.120 29.587 29.700 0.011 0.000 0.755 548 E HN 0.616 nan 8.360 nan 0.000 0.453 549 K N 0.196 120.643 120.400 0.078 0.000 2.057 549 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 549 K C 1.926 178.748 176.600 0.371 0.000 1.049 549 K CA 1.077 57.473 56.287 0.181 0.000 0.931 549 K CB -0.151 32.451 32.500 0.169 0.000 0.714 549 K HN 0.036 nan 8.250 nan 0.000 0.440 550 F N 1.710 121.719 119.950 0.099 0.000 2.216 550 F HA -0.133 4.394 4.527 -0.000 0.000 0.300 550 F C 2.410 178.285 175.800 0.125 0.000 1.085 550 F CA 0.984 59.060 58.000 0.128 0.000 1.326 550 F CB -1.195 37.869 39.000 0.107 0.000 1.027 550 F HN 0.013 nan 8.300 nan 0.000 0.497 551 T N -0.778 113.949 114.554 0.289 0.000 2.737 551 T HA -0.182 4.168 4.350 -0.000 0.000 0.265 551 T C 1.885 176.719 174.700 0.223 0.000 1.038 551 T CA 1.455 63.678 62.100 0.207 0.000 1.144 551 T CB -0.324 68.619 68.868 0.126 0.000 0.866 551 T HN 0.253 nan 8.240 nan 0.000 0.434 552 D N 1.210 121.716 120.400 0.177 0.000 2.092 552 D HA -0.101 4.539 4.640 -0.000 0.000 0.193 552 D C 2.157 178.529 176.300 0.120 0.000 0.994 552 D CA 1.083 55.161 54.000 0.130 0.000 0.828 552 D CB -0.247 40.615 40.800 0.103 0.000 0.963 552 D HN 0.340 nan 8.370 nan 0.000 0.450 553 I N 0.091 120.743 120.570 0.137 0.000 2.163 553 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 553 I C 2.446 178.608 176.117 0.074 0.000 1.085 553 I CA 0.888 62.223 61.300 0.059 0.000 1.347 553 I CB -0.418 37.601 38.000 0.032 0.000 1.044 553 I HN 0.022 nan 8.210 nan 0.000 0.408 554 F N 2.019 121.978 119.950 0.015 0.000 2.026 554 F HA -0.275 4.252 4.527 -0.000 0.000 0.296 554 F C 2.521 178.337 175.800 0.027 0.000 1.133 554 F CA 1.881 59.895 58.000 0.023 0.000 1.188 554 F CB -0.370 38.655 39.000 0.042 0.000 0.968 554 F HN -0.182 nan 8.300 nan 0.000 0.476 555 K N -0.050 120.420 120.400 0.118 0.000 2.074 555 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 555 K C 1.730 178.265 176.600 -0.109 0.000 1.048 555 K CA 1.687 57.956 56.287 -0.031 0.000 0.926 555 K CB -0.344 32.221 32.500 0.107 0.000 0.713 555 K HN 0.334 nan 8.250 nan 0.000 0.444 556 N N -0.347 118.318 118.700 -0.058 0.000 2.416 556 N HA -0.043 4.697 4.740 -0.000 0.000 0.177 556 N C 1.428 176.876 175.510 -0.103 0.000 1.036 556 N CA 0.892 53.901 53.050 -0.068 0.000 0.901 556 N CB 0.153 38.618 38.487 -0.037 0.000 0.976 556 N HN 0.238 nan 8.380 nan 0.000 0.444 557 C N -0.811 118.410 119.300 -0.132 0.000 2.426 557 C HA 0.349 4.809 4.460 -0.000 0.000 0.436 557 C C 2.483 177.382 174.990 -0.152 0.000 1.380 557 C CA -0.294 58.643 59.018 -0.136 0.000 2.446 557 C CB -0.465 27.191 27.740 -0.140 0.000 2.794 557 C HN 0.241 nan 8.230 nan 0.000 0.559 558 L N 0.683 121.776 121.223 -0.218 0.000 2.298 558 L HA 0.127 4.467 4.340 -0.000 0.000 0.209 558 L C 1.048 177.734 176.870 -0.308 0.000 1.084 558 L CA 0.527 55.272 54.840 -0.158 0.000 0.816 558 L CB -0.265 41.790 42.059 -0.007 0.000 0.967 558 L HN 0.380 nan 8.230 nan 0.000 0.460 559 E N 1.451 121.186 120.200 -0.775 0.000 2.558 559 E HA -0.160 4.190 4.350 -0.000 0.000 0.255 559 E C 0.074 176.455 176.600 -0.364 0.000 0.968 559 E CA 0.207 56.196 56.400 -0.686 0.000 0.939 559 E CB 0.181 29.512 29.700 -0.615 0.000 0.921 559 E HN 0.224 nan 8.360 nan 0.000 0.477 560 N N 3.208 121.682 118.700 -0.376 0.000 2.828 560 N HA -0.185 4.554 4.740 -0.000 0.000 0.248 560 N C -0.290 175.074 175.510 -0.243 0.000 1.044 560 N CA 0.857 53.734 53.050 -0.290 0.000 0.851 560 N CB -0.672 37.704 38.487 -0.185 0.000 1.136 560 N HN 0.589 nan 8.380 nan 0.000 0.572 561 Q N -0.636 119.025 119.800 -0.232 0.000 2.179 561 Q HA 0.287 4.627 4.340 -0.000 0.000 0.213 561 Q C 0.119 176.156 176.000 0.062 0.000 0.833 561 Q CA 0.209 55.969 55.803 -0.070 0.000 0.990 561 Q CB 0.226 28.950 28.738 -0.024 0.000 1.132 561 Q HN 0.573 nan 8.270 nan 0.000 0.493 562 F N -2.189 117.742 119.950 -0.033 0.000 2.686 562 F HA 0.552 5.079 4.527 -0.000 0.000 0.311 562 F C -0.680 175.148 175.800 0.047 0.000 1.128 562 F CA -1.374 56.622 58.000 -0.006 0.000 0.946 562 F CB 0.847 39.877 39.000 0.051 0.000 1.336 562 F HN -0.365 nan 8.300 nan 0.000 0.457 563 E N 2.140 122.514 120.200 0.290 0.000 2.223 563 E HA 0.135 4.485 4.350 -0.000 0.000 0.282 563 E C 0.871 177.689 176.600 0.364 0.000 1.046 563 E CA -0.156 56.360 56.400 0.192 0.000 0.857 563 E CB 1.808 31.601 29.700 0.155 0.000 1.055 563 E HN 0.828 nan 8.360 nan 0.000 0.409 564 I N 3.651 124.330 120.570 0.181 0.000 2.423 564 I HA -0.274 3.896 4.170 -0.000 0.000 0.254 564 I C 2.114 178.373 176.117 0.237 0.000 1.151 564 I CA 1.723 63.173 61.300 0.251 0.000 1.421 564 I CB -0.407 37.650 38.000 0.094 0.000 1.079 564 I HN 0.548 nan 8.210 nan 0.000 0.431 565 T N 0.412 115.075 114.554 0.181 0.000 2.684 565 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 565 T C 1.877 176.692 174.700 0.191 0.000 1.036 565 T CA 2.073 64.262 62.100 0.149 0.000 1.148 565 T CB -0.353 68.580 68.868 0.108 0.000 0.863 565 T HN 0.457 nan 8.240 nan 0.000 0.436 566 N N 1.095 119.953 118.700 0.262 0.000 2.223 566 N HA -0.050 4.690 4.740 -0.000 0.000 0.185 566 N C 1.795 177.499 175.510 0.322 0.000 1.016 566 N CA 0.861 54.105 53.050 0.324 0.000 0.863 566 N CB -0.526 38.203 38.487 0.403 0.000 0.983 566 N HN 0.361 nan 8.380 nan 0.000 0.429 567 L N 1.630 123.030 121.223 0.295 0.000 2.093 567 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 567 L C 2.202 179.150 176.870 0.131 0.000 1.085 567 L CA 1.680 56.536 54.840 0.027 0.000 0.755 567 L CB -0.434 41.713 42.059 0.146 0.000 0.904 567 L HN -0.078 nan 8.230 nan 0.000 0.435 568 K N 0.346 120.845 120.400 0.165 0.000 2.026 568 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 568 K C 1.901 178.591 176.600 0.149 0.000 1.048 568 K CA 2.116 58.503 56.287 0.166 0.000 0.929 568 K CB -0.587 31.988 32.500 0.126 0.000 0.713 568 K HN 0.446 nan 8.250 nan 0.000 0.439 569 I N 0.626 121.267 120.570 0.118 0.000 2.163 569 I HA -0.277 3.893 4.170 -0.000 0.000 0.243 569 I C 2.244 178.391 176.117 0.050 0.000 1.085 569 I CA 1.068 62.416 61.300 0.081 0.000 1.347 569 I CB -0.480 37.578 38.000 0.097 0.000 1.044 569 I HN 0.213 nan 8.210 nan 0.000 0.408 570 L N 0.803 122.057 121.223 0.052 0.000 1.994 570 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 570 L C 2.378 179.198 176.870 -0.082 0.000 1.071 570 L CA 1.838 56.667 54.840 -0.018 0.000 0.745 570 L CB -1.057 40.918 42.059 -0.139 0.000 0.892 570 L HN 0.169 nan 8.230 nan 0.000 0.431 571 F N 0.815 120.640 119.950 -0.207 0.000 2.120 571 F HA -0.275 4.252 4.527 -0.000 0.000 0.300 571 F C 2.154 177.785 175.800 -0.281 0.000 1.095 571 F CA 2.158 59.905 58.000 -0.422 0.000 1.249 571 F CB -0.528 38.318 39.000 -0.257 0.000 0.995 571 F HN 0.264 nan 8.300 nan 0.000 0.480 572 D N 0.394 120.682 120.400 -0.186 0.000 2.077 572 D HA -0.187 4.453 4.640 -0.000 0.000 0.193 572 D C 2.185 178.318 176.300 -0.278 0.000 0.989 572 D CA 1.861 55.716 54.000 -0.241 0.000 0.831 572 D CB -0.668 40.090 40.800 -0.070 0.000 0.979 572 D HN 0.466 nan 8.370 nan 0.000 0.449 573 E N 0.236 120.335 120.200 -0.170 0.000 2.130 573 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 573 E C 2.160 178.683 176.600 -0.129 0.000 0.998 573 E CA 0.408 56.724 56.400 -0.140 0.000 0.806 573 E CB -0.114 29.576 29.700 -0.017 0.000 0.738 573 E HN 0.087 nan 8.360 nan 0.000 0.459 574 L N 1.546 122.701 121.223 -0.114 0.000 2.079 574 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 574 L C 1.523 178.312 176.870 -0.135 0.000 1.081 574 L CA 1.731 56.565 54.840 -0.010 0.000 0.752 574 L CB -0.649 41.231 42.059 -0.299 0.000 0.896 574 L HN 0.061 nan 8.230 nan 0.000 0.433 575 N N -1.262 117.202 118.700 -0.393 0.000 2.443 575 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 575 N C 1.505 176.829 175.510 -0.309 0.000 1.037 575 N CA 1.032 53.856 53.050 -0.377 0.000 0.896 575 N CB -0.158 38.045 38.487 -0.473 0.000 0.959 575 N HN 0.429 nan 8.380 nan 0.000 0.442 576 S N -0.834 114.604 115.700 -0.437 0.000 2.671 576 S HA 0.173 4.643 4.470 -0.000 0.000 0.220 576 S C -0.113 174.106 174.600 -0.634 0.000 0.951 576 S CA -0.329 57.549 58.200 -0.537 0.000 0.932 576 S CB -0.306 62.504 63.200 -0.649 0.000 0.777 576 S HN 0.005 nan 8.310 nan 0.000 0.508 577 F N 1.457 121.330 119.950 -0.128 0.000 2.508 577 F HA 0.450 4.977 4.527 -0.000 0.000 0.325 577 F C 0.352 176.072 175.800 -0.133 0.000 1.090 577 F CA -1.763 56.161 58.000 -0.127 0.000 0.945 577 F CB 1.252 40.172 39.000 -0.133 0.000 1.156 577 F HN -0.029 nan 8.300 nan 0.000 0.463 578 D N 3.270 123.724 120.400 0.090 0.000 2.994 578 D HA 0.162 4.802 4.640 -0.000 0.000 0.240 578 D C 1.669 177.966 176.300 -0.004 0.000 1.195 578 D CA 0.327 54.342 54.000 0.026 0.000 0.957 578 D CB -0.417 40.391 40.800 0.014 0.000 1.105 578 D HN 0.543 nan 8.370 nan 0.000 0.477 579 I N 0.983 121.535 120.570 -0.030 0.000 2.404 579 I HA -0.394 3.776 4.170 -0.000 0.000 0.236 579 I C -0.624 175.495 176.117 0.003 0.000 0.953 579 I CA 1.721 62.944 61.300 -0.128 0.000 1.253 579 I CB -1.436 36.521 38.000 -0.072 0.000 0.960 579 I HN 0.313 nan 8.210 nan 0.000 0.402 580 P HA -0.142 nan 4.420 nan 0.000 0.215 580 P C 1.940 179.296 177.300 0.092 0.000 1.157 580 P CA 1.417 64.652 63.100 0.226 0.000 0.874 580 P CB 0.016 31.782 31.700 0.110 0.000 0.790 581 V N -0.536 119.392 119.914 0.025 0.000 2.295 581 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 581 V C 2.458 178.521 176.094 -0.053 0.000 1.049 581 V CA 1.826 64.125 62.300 -0.002 0.000 1.024 581 V CB -1.194 30.626 31.823 -0.004 0.000 0.648 581 V HN -0.042 nan 8.190 nan 0.000 0.447 582 V N -0.316 119.512 119.914 -0.143 0.000 2.261 582 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 582 V C 2.308 178.246 176.094 -0.260 0.000 1.047 582 V CA 2.068 64.210 62.300 -0.262 0.000 1.015 582 V CB -0.564 30.924 31.823 -0.558 0.000 0.642 582 V HN 0.438 nan 8.190 nan 0.000 0.446 583 L N 0.313 121.360 121.223 -0.294 0.000 2.131 583 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 583 L C 2.538 179.249 176.870 -0.265 0.000 1.092 583 L CA 1.524 56.194 54.840 -0.284 0.000 0.759 583 L CB -0.692 41.186 42.059 -0.302 0.000 0.903 583 L HN 0.466 nan 8.230 nan 0.000 0.435 584 N N 0.254 118.880 118.700 -0.123 0.000 2.142 584 N HA -0.229 4.510 4.740 -0.000 0.000 0.186 584 N C 1.528 177.046 175.510 0.013 0.000 1.023 584 N CA 1.797 54.857 53.050 0.017 0.000 0.852 584 N CB 0.091 38.640 38.487 0.103 0.000 0.998 584 N HN 0.317 nan 8.380 nan 0.000 0.424 585 D N 0.206 120.605 120.400 -0.002 0.000 2.123 585 D HA -0.108 4.532 4.640 -0.000 0.000 0.200 585 D C 2.129 178.459 176.300 0.049 0.000 0.976 585 D CA 0.430 54.450 54.000 0.034 0.000 0.831 585 D CB -0.112 40.714 40.800 0.043 0.000 0.974 585 D HN 0.190 nan 8.370 nan 0.000 0.469 586 L N 0.281 121.513 121.223 0.015 0.000 2.005 586 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 586 L C 2.130 179.007 176.870 0.011 0.000 1.072 586 L CA 1.605 56.472 54.840 0.044 0.000 0.744 586 L CB -0.428 41.639 42.059 0.014 0.000 0.895 586 L HN 0.147 nan 8.230 nan 0.000 0.433 587 I N -0.269 120.280 120.570 -0.035 0.000 2.500 587 I HA -0.150 4.019 4.170 -0.000 0.000 0.252 587 I C 1.304 177.438 176.117 0.029 0.000 1.142 587 I CA 0.743 62.031 61.300 -0.020 0.000 1.451 587 I CB -0.388 37.586 38.000 -0.042 0.000 1.093 587 I HN 0.371 nan 8.210 nan 0.000 0.430 588 N N 0.312 119.039 118.700 0.045 0.000 2.254 588 N HA 0.052 4.791 4.740 -0.000 0.000 0.190 588 N C 0.922 176.460 175.510 0.046 0.000 1.107 588 N CA 0.343 53.425 53.050 0.054 0.000 0.869 588 N CB 0.277 38.804 38.487 0.067 0.000 0.983 588 N HN 0.403 nan 8.380 nan 0.000 0.487 589 N N 0.098 118.828 118.700 0.051 0.000 2.909 589 N HA 0.038 4.778 4.740 -0.000 0.000 0.243 589 N C 1.520 177.067 175.510 0.062 0.000 1.018 589 N CA 0.342 53.424 53.050 0.053 0.000 1.068 589 N CB -0.135 38.389 38.487 0.062 0.000 1.651 589 N HN -0.094 nan 8.380 nan 0.000 0.509 590 Q N 1.190 121.039 119.800 0.081 0.000 1.965 590 Q HA 0.174 4.513 4.340 -0.000 0.000 0.200 590 Q C 2.172 178.212 176.000 0.066 0.000 0.981 590 Q CA 1.557 57.411 55.803 0.086 0.000 0.834 590 Q CB -0.248 28.588 28.738 0.163 0.000 0.900 590 Q HN 0.298 nan 8.270 nan 0.000 0.426 591 M N -0.173 119.429 119.600 0.002 0.000 2.098 591 M HA -0.078 4.402 4.480 -0.000 0.000 0.262 591 M C 0.381 176.782 176.300 0.168 0.000 1.072 591 M CA 1.068 56.312 55.300 -0.092 0.000 1.133 591 M CB -0.022 32.443 32.600 -0.224 0.000 1.344 591 M HN -0.116 nan 8.290 nan 0.000 0.414 592 K N 2.119 122.605 120.400 0.143 0.000 2.315 592 K HA 0.164 4.484 4.320 -0.000 0.000 0.291 592 K C -2.062 174.617 176.600 0.130 0.000 1.074 592 K CA -1.345 55.062 56.287 0.201 0.000 0.936 592 K CB 0.370 32.941 32.500 0.118 0.000 1.049 592 K HN 0.058 nan 8.250 nan 0.000 0.471 593 P HA -0.011 nan 4.420 nan 0.000 0.286 593 P C 0.079 177.351 177.300 -0.047 0.000 1.278 593 P CA -0.287 62.848 63.100 0.058 0.000 0.785 593 P CB 0.499 32.246 31.700 0.078 0.000 1.269 594 G N -1.503 107.200 108.800 -0.161 0.000 2.630 594 G HA2 0.548 4.508 3.960 -0.000 0.000 0.296 594 G HA3 0.548 4.508 3.960 -0.000 0.000 0.296 594 G C -0.797 173.641 174.900 -0.771 0.000 1.285 594 G CA -0.770 44.140 45.100 -0.317 0.000 0.958 594 G HN 0.267 nan 8.290 nan 0.000 0.479 595 I N 0.005 120.246 120.570 -0.548 0.000 2.813 595 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 595 I C -0.524 175.232 176.117 -0.601 0.000 1.196 595 I CA 0.183 61.156 61.300 -0.544 0.000 1.421 595 I CB 0.197 38.088 38.000 -0.182 0.000 1.365 595 I HN 0.125 nan 8.210 nan 0.000 0.591 596 F N 4.503 124.491 119.950 0.064 0.000 2.449 596 F HA 0.307 4.834 4.527 -0.000 0.000 0.342 596 F C -0.396 175.598 175.800 0.323 0.000 1.127 596 F CA -0.921 57.154 58.000 0.125 0.000 0.975 596 F CB 0.955 40.094 39.000 0.232 0.000 1.146 596 F HN 0.402 nan 8.300 nan 0.000 0.444 597 W N 3.499 124.988 121.300 0.315 0.000 2.676 597 W HA 0.301 4.961 4.660 -0.000 0.000 0.430 597 W C 0.247 176.913 176.519 0.246 0.000 0.690 597 W CA -1.457 56.020 57.345 0.220 0.000 2.297 597 W CB -0.436 29.112 29.460 0.146 0.000 1.361 597 W HN 0.573 nan 8.180 nan 0.000 0.800 598 K N 1.585 122.308 120.400 0.538 0.000 5.728 598 K HA -0.248 4.072 4.320 -0.000 0.000 0.427 598 K C 0.030 176.808 176.600 0.298 0.000 1.056 598 K CA 0.646 57.231 56.287 0.498 0.000 1.274 598 K CB -0.491 32.274 32.500 0.442 0.000 1.831 598 K HN 0.222 nan 8.250 nan 0.000 0.384 599 K N 3.472 123.950 120.400 0.130 0.000 2.502 599 K HA 0.027 4.347 4.320 -0.000 0.000 0.244 599 K C -0.825 175.336 176.600 -0.733 0.000 1.249 599 K CA -0.291 55.856 56.287 -0.233 0.000 1.193 599 K CB 0.064 32.445 32.500 -0.199 0.000 1.674 599 K HN 0.490 nan 8.250 nan 0.000 0.302 600 D N 1.291 121.491 120.400 -0.333 0.000 4.755 600 D HA -0.224 4.416 4.640 -0.000 0.000 0.197 600 D C -1.070 174.926 176.300 -0.506 0.000 1.031 600 D CA 1.322 55.176 54.000 -0.244 0.000 1.058 600 D CB -0.392 40.349 40.800 -0.098 0.000 0.992 600 D HN 0.268 nan 8.370 nan 0.000 0.549 601 F N 3.312 123.248 119.950 -0.023 0.000 2.564 601 F HA 0.283 4.810 4.527 -0.000 0.000 0.361 601 F C 0.354 176.117 175.800 -0.061 0.000 1.161 601 F CA -1.324 56.585 58.000 -0.150 0.000 1.198 601 F CB 0.543 39.282 39.000 -0.434 0.000 1.424 601 F HN 0.072 nan 8.300 nan 0.000 0.517 602 I N 1.199 121.849 120.570 0.132 0.000 3.475 602 I HA -0.243 3.927 4.170 -0.000 0.000 0.350 602 I C 0.987 177.201 176.117 0.163 0.000 1.223 602 I CA 0.672 62.065 61.300 0.156 0.000 1.517 602 I CB -0.841 37.260 38.000 0.168 0.000 1.308 602 I HN 0.494 nan 8.210 nan 0.000 0.465 603 S N 5.839 121.693 115.700 0.256 0.000 2.465 603 S HA 0.432 4.902 4.470 -0.000 0.000 0.280 603 S C 0.551 175.240 174.600 0.148 0.000 1.232 603 S CA -0.621 57.760 58.200 0.301 0.000 1.066 603 S CB 0.192 63.556 63.200 0.273 0.000 0.929 603 S HN 0.733 nan 8.310 nan 0.000 0.494 604 A N 4.705 127.606 122.820 0.136 0.000 2.454 604 A HA 0.330 4.650 4.320 -0.000 0.000 0.260 604 A C 1.201 178.808 177.584 0.038 0.000 1.106 604 A CA -0.457 51.630 52.037 0.083 0.000 0.780 604 A CB -0.256 18.801 19.000 0.095 0.000 1.044 604 A HN 1.028 nan 8.150 nan 0.000 0.498 605 I N 0.354 120.903 120.570 -0.035 0.000 2.761 605 I HA 0.208 4.378 4.170 -0.000 0.000 0.261 605 I C 0.677 176.684 176.117 -0.183 0.000 1.198 605 I CA 0.987 62.188 61.300 -0.166 0.000 1.482 605 I CB -0.325 37.608 38.000 -0.112 0.000 1.100 605 I HN 0.525 nan 8.210 nan 0.000 0.445 606 K N 0.189 120.609 120.400 0.032 0.000 2.512 606 K HA 0.297 4.617 4.320 -0.000 0.000 0.263 606 K C -1.256 175.549 176.600 0.342 0.000 0.966 606 K CA -1.000 55.406 56.287 0.199 0.000 0.851 606 K CB 1.649 34.224 32.500 0.125 0.000 1.395 606 K HN -0.102 nan 8.250 nan 0.000 0.440 607 F N 3.142 123.268 119.950 0.294 0.000 2.557 607 F HA 0.069 4.596 4.527 -0.000 0.000 0.384 607 F C 0.018 175.940 175.800 0.203 0.000 1.057 607 F CA 0.099 58.243 58.000 0.240 0.000 1.169 607 F CB 0.353 39.478 39.000 0.208 0.000 1.070 607 F HN 0.387 nan 8.300 nan 0.000 0.554 608 D N 5.289 125.416 120.400 -0.456 0.000 2.467 608 D HA 0.192 4.832 4.640 -0.000 0.000 0.220 608 D C 1.185 177.024 176.300 -0.767 0.000 1.103 608 D CA 0.161 53.914 54.000 -0.411 0.000 0.886 608 D CB 1.268 41.962 40.800 -0.177 0.000 1.025 608 D HN 0.814 nan 8.370 nan 0.000 0.514 609 G N 3.032 111.394 108.800 -0.729 0.000 2.450 609 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.220 609 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.220 609 G C 1.183 176.034 174.900 -0.083 0.000 1.130 609 G CA 0.275 45.121 45.100 -0.423 0.000 0.760 609 G HN 0.516 nan 8.290 nan 0.000 0.557 610 F N 2.759 122.612 119.950 -0.161 0.000 2.051 610 F HA -0.128 4.399 4.527 -0.000 0.000 0.296 610 F C 3.037 178.769 175.800 -0.114 0.000 1.122 610 F CA 2.377 60.298 58.000 -0.131 0.000 1.201 610 F CB -0.899 38.003 39.000 -0.163 0.000 0.978 610 F HN 0.204 nan 8.300 nan 0.000 0.472 611 T N -2.513 111.854 114.554 -0.312 0.000 2.915 611 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 611 T C 2.312 176.960 174.700 -0.087 0.000 1.071 611 T CA 1.355 63.285 62.100 -0.283 0.000 1.132 611 T CB -1.009 67.720 68.868 -0.232 0.000 0.878 611 T HN 0.340 nan 8.240 nan 0.000 0.479 612 S N 1.279 116.942 115.700 -0.061 0.000 2.351 612 S HA -0.138 4.332 4.470 -0.000 0.000 0.220 612 S C 1.966 176.662 174.600 0.160 0.000 1.035 612 S CA 1.472 59.756 58.200 0.140 0.000 1.031 612 S CB -0.690 62.693 63.200 0.305 0.000 0.928 612 S HN 0.552 nan 8.310 nan 0.000 0.433 613 I N 1.332 121.936 120.570 0.056 0.000 2.315 613 I HA -0.062 4.108 4.170 -0.000 0.000 0.248 613 I C 1.802 177.853 176.117 -0.110 0.000 1.117 613 I CA 1.264 62.529 61.300 -0.058 0.000 1.404 613 I CB -0.333 37.483 38.000 -0.308 0.000 1.071 613 I HN 0.318 nan 8.210 nan 0.000 0.419 614 I N 0.237 120.658 120.570 -0.249 0.000 2.361 614 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 614 I C 2.506 178.534 176.117 -0.149 0.000 1.133 614 I CA 1.268 62.397 61.300 -0.286 0.000 1.413 614 I CB -1.544 36.142 38.000 -0.522 0.000 1.073 614 I HN 0.256 nan 8.210 nan 0.000 0.424 615 S N 0.668 116.344 115.700 -0.040 0.000 2.357 615 S HA -0.094 4.375 4.470 -0.000 0.000 0.221 615 S C 1.941 176.519 174.600 -0.037 0.000 1.031 615 S CA 0.708 58.909 58.200 0.001 0.000 0.982 615 S CB -0.346 62.974 63.200 0.200 0.000 0.853 615 S HN 0.308 nan 8.310 nan 0.000 0.458 616 L N 2.485 123.729 121.223 0.035 0.000 2.012 616 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 616 L C 2.208 179.103 176.870 0.042 0.000 1.073 616 L CA 1.858 56.738 54.840 0.067 0.000 0.748 616 L CB -0.704 41.471 42.059 0.193 0.000 0.891 616 L HN 0.124 nan 8.230 nan 0.000 0.431 617 E N -0.395 119.821 120.200 0.027 0.000 2.085 617 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 617 E C 2.246 178.800 176.600 -0.075 0.000 0.994 617 E CA 1.527 57.922 56.400 -0.009 0.000 0.801 617 E CB -0.455 29.224 29.700 -0.035 0.000 0.743 617 E HN 0.549 nan 8.360 nan 0.000 0.453 618 S N 1.214 116.848 115.700 -0.111 0.000 2.368 618 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 618 S C 1.971 176.457 174.600 -0.190 0.000 1.030 618 S CA 0.818 58.928 58.200 -0.151 0.000 0.999 618 S CB -0.263 62.833 63.200 -0.173 0.000 0.844 618 S HN 0.148 nan 8.310 nan 0.000 0.459 619 L N 1.694 122.804 121.223 -0.188 0.000 2.083 619 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 619 L C 2.203 178.907 176.870 -0.276 0.000 1.083 619 L CA 1.856 56.552 54.840 -0.239 0.000 0.752 619 L CB -0.700 41.232 42.059 -0.212 0.000 0.899 619 L HN 0.426 nan 8.230 nan 0.000 0.433 620 H N -0.671 118.182 119.070 -0.362 0.000 2.395 620 H HA -0.177 4.379 4.556 -0.000 0.000 0.299 620 H C 2.052 177.119 175.328 -0.434 0.000 1.070 620 H CA 1.783 57.517 56.048 -0.523 0.000 1.356 620 H CB 0.221 29.419 29.762 -0.940 0.000 1.401 620 H HN 0.646 nan 8.280 nan 0.000 0.524 621 Q N 0.267 119.857 119.800 -0.351 0.000 2.016 621 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 621 Q C 2.485 178.224 176.000 -0.435 0.000 0.978 621 Q CA 1.494 57.088 55.803 -0.349 0.000 0.833 621 Q CB -0.130 28.499 28.738 -0.182 0.000 0.895 621 Q HN 0.388 nan 8.270 nan 0.000 0.427 622 L N 0.728 121.715 121.223 -0.393 0.000 2.012 622 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 622 L C 2.163 178.688 176.870 -0.575 0.000 1.073 622 L CA 1.671 56.233 54.840 -0.463 0.000 0.748 622 L CB -0.449 41.337 42.059 -0.455 0.000 0.891 622 L HN 0.361 nan 8.230 nan 0.000 0.431 623 L N -1.665 119.251 121.223 -0.511 0.000 2.156 623 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 623 L C 2.434 179.150 176.870 -0.256 0.000 1.095 623 L CA 1.037 55.653 54.840 -0.372 0.000 0.770 623 L CB -0.469 41.397 42.059 -0.322 0.000 0.914 623 L HN 0.250 nan 8.230 nan 0.000 0.439 624 S N 0.234 115.672 115.700 -0.436 0.000 2.355 624 S HA -0.128 4.342 4.470 -0.000 0.000 0.222 624 S C 1.943 176.412 174.600 -0.218 0.000 1.031 624 S CA 1.163 59.156 58.200 -0.347 0.000 0.993 624 S CB -0.161 62.721 63.200 -0.529 0.000 0.859 624 S HN 0.267 nan 8.310 nan 0.000 0.453 625 I N 0.974 121.296 120.570 -0.414 0.000 2.179 625 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 625 I C 2.328 178.444 176.117 -0.003 0.000 1.088 625 I CA 1.482 62.514 61.300 -0.448 0.000 1.357 625 I CB -0.520 37.098 38.000 -0.636 0.000 1.051 625 I HN 0.418 nan 8.210 nan 0.000 0.409 626 H N -1.057 117.977 119.070 -0.061 0.000 2.353 626 H HA -0.283 4.273 4.556 -0.000 0.000 0.298 626 H C 2.190 177.603 175.328 0.142 0.000 1.103 626 H CA 1.844 57.937 56.048 0.075 0.000 1.293 626 H CB -0.121 29.730 29.762 0.148 0.000 1.372 626 H HN 0.345 nan 8.280 nan 0.000 0.501 627 Y N 1.780 122.162 120.300 0.137 0.000 2.224 627 Y HA -0.215 4.335 4.550 -0.000 0.000 0.289 627 Y C 2.690 178.672 175.900 0.138 0.000 1.146 627 Y CA 1.377 59.551 58.100 0.124 0.000 1.182 627 Y CB -0.243 38.245 38.460 0.047 0.000 0.983 627 Y HN -0.048 nan 8.280 nan 0.000 0.524 628 R N 0.218 120.727 120.500 0.015 0.000 2.062 628 R HA -0.114 4.226 4.340 -0.000 0.000 0.229 628 R C 2.304 178.584 176.300 -0.034 0.000 1.128 628 R CA 1.737 57.797 56.100 -0.067 0.000 0.960 628 R CB -0.499 29.857 30.300 0.094 0.000 0.855 628 R HN 0.459 nan 8.270 nan 0.000 0.432 629 I N 0.434 121.031 120.570 0.045 0.000 2.091 629 I HA -0.321 3.849 4.170 -0.000 0.000 0.239 629 I C 2.201 178.316 176.117 -0.004 0.000 1.061 629 I CA 1.917 63.234 61.300 0.029 0.000 1.317 629 I CB -0.500 37.547 38.000 0.079 0.000 1.031 629 I HN 0.257 nan 8.210 nan 0.000 0.401 630 T N 1.203 115.771 114.554 0.024 0.000 2.665 630 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 630 T C 1.842 176.529 174.700 -0.021 0.000 1.035 630 T CA 1.719 63.833 62.100 0.023 0.000 1.151 630 T CB -0.472 68.462 68.868 0.109 0.000 0.862 630 T HN 0.191 nan 8.240 nan 0.000 0.438 631 L N 0.941 122.136 121.223 -0.045 0.000 2.017 631 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 631 L C 2.599 179.456 176.870 -0.021 0.000 1.073 631 L CA 1.786 56.602 54.840 -0.041 0.000 0.745 631 L CB -0.657 41.306 42.059 -0.160 0.000 0.894 631 L HN 0.273 nan 8.230 nan 0.000 0.432 632 Q N -1.280 118.488 119.800 -0.054 0.000 2.096 632 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 632 Q C 2.159 178.118 176.000 -0.068 0.000 0.982 632 Q CA 2.100 57.868 55.803 -0.058 0.000 0.850 632 Q CB -0.317 28.365 28.738 -0.093 0.000 0.901 632 Q HN 0.479 nan 8.270 nan 0.000 0.422 633 V N 1.070 120.948 119.914 -0.061 0.000 2.295 633 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 633 V C 2.241 178.371 176.094 0.060 0.000 1.049 633 V CA 1.549 63.839 62.300 -0.015 0.000 1.024 633 V CB -0.569 31.297 31.823 0.073 0.000 0.648 633 V HN 0.358 nan 8.190 nan 0.000 0.447 634 L N -0.644 120.575 121.223 -0.006 0.000 2.081 634 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 634 L C 2.496 179.311 176.870 -0.092 0.000 1.080 634 L CA 1.384 56.131 54.840 -0.154 0.000 0.754 634 L CB -0.606 41.010 42.059 -0.740 0.000 0.893 634 L HN 0.368 nan 8.230 nan 0.000 0.433 635 L N 0.061 121.288 121.223 0.006 0.000 2.012 635 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 635 L C 2.746 179.561 176.870 -0.092 0.000 1.073 635 L CA 2.657 57.516 54.840 0.032 0.000 0.748 635 L CB -1.002 41.084 42.059 0.044 0.000 0.891 635 L HN 0.477 nan 8.230 nan 0.000 0.431 636 T N -3.560 110.920 114.554 -0.123 0.000 2.833 636 T HA -0.210 4.140 4.350 -0.000 0.000 0.269 636 T C 1.800 176.368 174.700 -0.220 0.000 1.054 636 T CA 1.524 63.516 62.100 -0.181 0.000 1.135 636 T CB -1.077 67.694 68.868 -0.163 0.000 0.869 636 T HN 0.334 nan 8.240 nan 0.000 0.466 637 F N 1.601 121.479 119.950 -0.119 0.000 2.407 637 F HA 0.116 4.643 4.527 -0.000 0.000 0.299 637 F C 2.512 178.256 175.800 -0.094 0.000 1.097 637 F CA 0.794 58.763 58.000 -0.051 0.000 1.422 637 F CB -0.055 38.959 39.000 0.023 0.000 1.067 637 F HN 0.207 nan 8.300 nan 0.000 0.539 638 V N -2.323 117.455 119.914 -0.227 0.000 3.650 638 V HA 0.085 4.205 4.120 -0.000 0.000 0.271 638 V C 1.416 177.432 176.094 -0.130 0.000 1.281 638 V CA 0.882 63.028 62.300 -0.256 0.000 1.120 638 V CB -0.176 31.396 31.823 -0.419 0.000 0.856 638 V HN 0.362 nan 8.190 nan 0.000 0.443 639 L N -1.198 119.847 121.223 -0.296 0.000 2.286 639 L HA 0.395 4.735 4.340 -0.000 0.000 0.203 639 L C 0.781 177.249 176.870 -0.671 0.000 1.068 639 L CA 0.529 55.013 54.840 -0.592 0.000 0.811 639 L CB 0.151 41.594 42.059 -1.028 0.000 0.989 639 L HN 0.290 nan 8.230 nan 0.000 0.467 640 F N -0.989 118.906 119.950 -0.093 0.000 2.497 640 F HA 0.222 4.749 4.527 -0.000 0.000 0.331 640 F C 0.581 176.382 175.800 0.003 0.000 1.060 640 F CA -1.415 56.550 58.000 -0.058 0.000 0.989 640 F CB 0.371 39.338 39.000 -0.055 0.000 1.245 640 F HN -0.241 nan 8.300 nan 0.000 0.486 641 D N 2.510 123.053 120.400 0.239 0.000 2.551 641 D HA 0.183 4.823 4.640 -0.000 0.000 0.223 641 D C -0.702 175.713 176.300 0.192 0.000 1.144 641 D CA 0.199 54.302 54.000 0.172 0.000 1.025 641 D CB -0.360 40.514 40.800 0.122 0.000 1.085 641 D HN 0.324 nan 8.370 nan 0.000 0.506 642 L N 1.929 123.288 121.223 0.227 0.000 2.289 642 L HA 0.173 4.513 4.340 -0.000 0.000 0.285 642 L C 0.698 177.788 176.870 0.367 0.000 1.049 642 L CA -0.990 54.007 54.840 0.261 0.000 0.804 642 L CB 1.284 43.412 42.059 0.114 0.000 1.195 642 L HN 0.102 nan 8.230 nan 0.000 0.428 643 D N 1.858 122.500 120.400 0.403 0.000 2.455 643 D HA -0.104 4.536 4.640 -0.000 0.000 0.265 643 D C 1.180 177.661 176.300 0.301 0.000 1.284 643 D CA 0.505 54.675 54.000 0.284 0.000 0.944 643 D CB 0.933 41.850 40.800 0.194 0.000 1.121 643 D HN 0.500 nan 8.370 nan 0.000 0.525 644 T N 2.902 117.557 114.554 0.168 0.000 2.946 644 T HA -0.172 4.178 4.350 -0.000 0.000 0.271 644 T C 1.417 176.132 174.700 0.026 0.000 1.104 644 T CA 1.230 63.372 62.100 0.070 0.000 1.114 644 T CB 0.079 68.916 68.868 -0.051 0.000 0.867 644 T HN 0.552 nan 8.240 nan 0.000 0.513 645 E N -0.181 120.038 120.200 0.032 0.000 2.099 645 E HA 0.044 4.394 4.350 -0.000 0.000 0.191 645 E C 2.089 178.659 176.600 -0.050 0.000 0.962 645 E CA 0.275 56.663 56.400 -0.019 0.000 0.826 645 E CB 0.036 29.722 29.700 -0.023 0.000 0.788 645 E HN 0.461 nan 8.360 nan 0.000 0.461 646 I N 0.376 120.913 120.570 -0.056 0.000 2.113 646 I HA -0.249 3.921 4.170 -0.000 0.000 0.238 646 I C 1.459 177.385 176.117 -0.318 0.000 1.070 646 I CA 1.222 62.384 61.300 -0.230 0.000 1.332 646 I CB -0.192 37.590 38.000 -0.364 0.000 1.044 646 I HN 0.096 nan 8.210 nan 0.000 0.402 647 F N 1.070 121.035 119.950 0.024 0.000 2.769 647 F HA 0.155 4.682 4.527 -0.000 0.000 0.304 647 F C 2.137 177.862 175.800 -0.126 0.000 1.158 647 F CA 0.224 58.229 58.000 0.009 0.000 1.398 647 F CB -0.896 38.207 39.000 0.172 0.000 1.094 647 F HN -0.032 nan 8.300 nan 0.000 0.553 648 G N -0.141 108.650 108.800 -0.015 0.000 2.469 648 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.219 648 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.219 648 G C 1.618 176.459 174.900 -0.098 0.000 1.150 648 G CA 0.870 45.926 45.100 -0.073 0.000 0.763 648 G HN 0.279 nan 8.290 nan 0.000 0.561 649 Q N 0.105 119.823 119.800 -0.136 0.000 1.990 649 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 649 Q C 2.421 178.369 176.000 -0.087 0.000 0.980 649 Q CA 1.579 57.291 55.803 -0.152 0.000 0.832 649 Q CB -0.632 27.956 28.738 -0.251 0.000 0.897 649 Q HN 0.582 nan 8.270 nan 0.000 0.427 650 H N -0.020 119.027 119.070 -0.038 0.000 2.319 650 H HA -0.119 4.437 4.556 -0.000 0.000 0.297 650 H C 2.166 177.391 175.328 -0.171 0.000 1.097 650 H CA 1.698 57.720 56.048 -0.043 0.000 1.285 650 H CB -0.452 29.370 29.762 0.099 0.000 1.368 650 H HN 0.314 nan 8.280 nan 0.000 0.495 651 I N 0.602 121.077 120.570 -0.159 0.000 2.208 651 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 651 I C 2.564 178.590 176.117 -0.153 0.000 1.097 651 I CA 1.728 62.847 61.300 -0.301 0.000 1.363 651 I CB -0.344 37.471 38.000 -0.309 0.000 1.051 651 I HN 0.267 nan 8.210 nan 0.000 0.413 652 S N -0.697 114.941 115.700 -0.103 0.000 2.436 652 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 652 S C 1.874 176.438 174.600 -0.060 0.000 1.014 652 S CA 1.264 59.419 58.200 -0.076 0.000 0.950 652 S CB -0.535 62.623 63.200 -0.070 0.000 0.784 652 S HN 0.337 nan 8.310 nan 0.000 0.504 653 T N 2.703 117.229 114.554 -0.046 0.000 2.857 653 T HA 0.224 4.573 4.350 -0.000 0.000 0.266 653 T C 1.649 176.313 174.700 -0.060 0.000 1.048 653 T CA 1.078 63.156 62.100 -0.038 0.000 1.139 653 T CB -0.377 68.496 68.868 0.008 0.000 0.874 653 T HN 0.298 nan 8.240 nan 0.000 0.455 654 L N 0.451 121.635 121.223 -0.064 0.000 2.027 654 L HA 0.038 4.378 4.340 -0.000 0.000 0.206 654 L C 2.388 179.228 176.870 -0.051 0.000 1.074 654 L CA 1.041 55.835 54.840 -0.076 0.000 0.745 654 L CB -0.541 41.452 42.059 -0.111 0.000 0.898 654 L HN 0.218 nan 8.230 nan 0.000 0.433 655 L N -0.307 120.868 121.223 -0.079 0.000 2.191 655 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 655 L C 2.053 178.982 176.870 0.098 0.000 1.103 655 L CA 1.368 56.197 54.840 -0.017 0.000 0.769 655 L CB -0.454 41.583 42.059 -0.037 0.000 0.908 655 L HN 0.342 nan 8.230 nan 0.000 0.438 656 D N -0.204 120.212 120.400 0.026 0.000 2.162 656 D HA -0.121 4.519 4.640 -0.000 0.000 0.203 656 D C 2.327 178.658 176.300 0.051 0.000 0.967 656 D CA 0.671 54.686 54.000 0.025 0.000 0.840 656 D CB 0.180 40.959 40.800 -0.034 0.000 0.972 656 D HN 0.166 nan 8.370 nan 0.000 0.482 657 L N -0.058 121.140 121.223 -0.042 0.000 2.109 657 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 657 L C 2.551 179.469 176.870 0.080 0.000 1.086 657 L CA 1.035 55.767 54.840 -0.181 0.000 0.760 657 L CB -0.741 41.106 42.059 -0.353 0.000 0.910 657 L HN 0.370 nan 8.230 nan 0.000 0.437 658 H N -0.401 118.731 119.070 0.103 0.000 2.321 658 H HA -0.286 4.270 4.556 -0.000 0.000 0.300 658 H C 2.264 177.799 175.328 0.345 0.000 1.087 658 H CA 2.273 58.473 56.048 0.255 0.000 1.319 658 H CB -0.261 29.617 29.762 0.194 0.000 1.379 658 H HN 0.320 nan 8.280 nan 0.000 0.501 659 Y N 1.836 122.224 120.300 0.148 0.000 2.097 659 Y HA -0.222 4.328 4.550 -0.000 0.000 0.282 659 Y C 2.709 178.673 175.900 0.105 0.000 1.152 659 Y CA 2.267 60.434 58.100 0.113 0.000 1.136 659 Y CB -0.069 38.477 38.460 0.144 0.000 0.975 659 Y HN 0.130 nan 8.280 nan 0.000 0.498 660 K N -0.212 120.392 120.400 0.339 0.000 2.057 660 K HA -0.242 4.078 4.320 -0.000 0.000 0.207 660 K C 2.132 178.814 176.600 0.136 0.000 1.049 660 K CA 1.897 58.331 56.287 0.244 0.000 0.931 660 K CB -0.266 32.407 32.500 0.288 0.000 0.714 660 K HN 0.468 nan 8.250 nan 0.000 0.440 661 Q N 0.043 119.939 119.800 0.160 0.000 2.030 661 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 661 Q C 1.957 177.851 176.000 -0.177 0.000 0.986 661 Q CA 1.876 57.724 55.803 0.075 0.000 0.843 661 Q CB -0.266 28.599 28.738 0.211 0.000 0.904 661 Q HN 0.224 nan 8.270 nan 0.000 0.420 662 F N 0.808 120.528 119.950 -0.384 0.000 2.025 662 F HA -0.295 4.232 4.527 -0.000 0.000 0.297 662 F C 1.856 177.450 175.800 -0.342 0.000 1.132 662 F CA 1.326 59.020 58.000 -0.509 0.000 1.191 662 F CB -0.550 38.170 39.000 -0.467 0.000 0.963 662 F HN 0.016 nan 8.300 nan 0.000 0.481 663 L N -0.056 121.047 121.223 -0.202 0.000 2.010 663 L HA -0.281 4.059 4.340 -0.000 0.000 0.219 663 L C 2.435 179.176 176.870 -0.215 0.000 1.077 663 L CA 1.998 56.705 54.840 -0.221 0.000 0.773 663 L CB -1.364 40.599 42.059 -0.161 0.000 0.892 663 L HN 0.368 nan 8.230 nan 0.000 0.436 664 L N -1.220 119.912 121.223 -0.153 0.000 2.012 664 L HA -0.228 4.111 4.340 -0.000 0.000 0.210 664 L C 2.333 179.119 176.870 -0.140 0.000 1.073 664 L CA 1.697 56.468 54.840 -0.115 0.000 0.748 664 L CB -0.405 41.602 42.059 -0.086 0.000 0.891 664 L HN 0.202 nan 8.230 nan 0.000 0.431 665 L N -0.554 120.513 121.223 -0.259 0.000 2.131 665 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 665 L C 2.245 178.983 176.870 -0.219 0.000 1.092 665 L CA 1.580 56.273 54.840 -0.244 0.000 0.759 665 L CB -0.689 41.096 42.059 -0.457 0.000 0.903 665 L HN 0.443 nan 8.230 nan 0.000 0.435 666 N N 0.058 118.515 118.700 -0.405 0.000 2.171 666 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 666 N C 1.856 177.258 175.510 -0.180 0.000 1.021 666 N CA 0.844 53.669 53.050 -0.373 0.000 0.854 666 N CB 0.030 38.217 38.487 -0.500 0.000 0.994 666 N HN 0.174 nan 8.380 nan 0.000 0.426 667 L N -0.656 120.488 121.223 -0.132 0.000 2.217 667 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 667 L C 1.935 178.770 176.870 -0.059 0.000 1.107 667 L CA 0.784 55.572 54.840 -0.088 0.000 0.783 667 L CB -0.650 41.367 42.059 -0.071 0.000 0.919 667 L HN 0.323 nan 8.230 nan 0.000 0.442 668 Y N 2.197 122.410 120.300 -0.145 0.000 2.145 668 Y HA -0.249 4.300 4.550 -0.000 0.000 0.286 668 Y C 2.779 178.573 175.900 -0.178 0.000 1.145 668 Y CA 1.710 59.725 58.100 -0.141 0.000 1.148 668 Y CB -0.086 38.322 38.460 -0.088 0.000 0.981 668 Y HN 0.117 nan 8.280 nan 0.000 0.507 669 R N -0.168 120.268 120.500 -0.107 0.000 2.297 669 R HA -0.000 4.340 4.340 -0.000 0.000 0.197 669 R C 1.751 177.925 176.300 -0.209 0.000 0.943 669 R CA 0.955 56.920 56.100 -0.226 0.000 1.038 669 R CB -0.308 29.943 30.300 -0.082 0.000 0.957 669 R HN 0.370 nan 8.270 nan 0.000 0.484 670 Q N 1.270 120.966 119.800 -0.173 0.000 2.250 670 Q HA -0.019 4.321 4.340 -0.000 0.000 0.200 670 Q C -0.431 175.472 176.000 -0.162 0.000 0.941 670 Q CA 1.084 56.802 55.803 -0.143 0.000 0.872 670 Q CB 0.692 29.365 28.738 -0.108 0.000 0.965 670 Q HN 0.228 nan 8.270 nan 0.000 0.480 671 D N -1.080 119.200 120.400 -0.199 0.000 2.684 671 D HA 0.047 4.686 4.640 -0.000 0.000 0.233 671 D C -0.280 175.880 176.300 -0.234 0.000 1.374 671 D CA 0.008 53.886 54.000 -0.203 0.000 0.906 671 D CB 0.065 40.769 40.800 -0.161 0.000 1.526 671 D HN 0.031 nan 8.370 nan 0.000 0.518 672 K N 0.193 120.420 120.400 -0.288 0.000 2.052 672 K HA -0.212 4.108 4.320 -0.000 0.000 0.215 672 K C 2.011 178.469 176.600 -0.237 0.000 1.053 672 K CA 2.170 58.310 56.287 -0.244 0.000 0.934 672 K CB -0.281 32.100 32.500 -0.199 0.000 0.717 672 K HN 0.546 nan 8.250 nan 0.000 0.450 673 C N 1.186 120.309 119.300 -0.295 0.000 2.413 673 C HA -0.136 4.324 4.460 -0.000 0.000 0.278 673 C C 2.534 177.237 174.990 -0.477 0.000 1.224 673 C CA 0.945 59.589 59.018 -0.624 0.000 1.732 673 C CB -1.013 26.442 27.740 -0.475 0.000 2.050 673 C HN 0.529 nan 8.230 nan 0.000 0.463 674 L N 0.949 121.985 121.223 -0.312 0.000 2.043 674 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 674 L C 2.267 179.004 176.870 -0.223 0.000 1.075 674 L CA 2.367 57.060 54.840 -0.245 0.000 0.752 674 L CB -1.209 40.737 42.059 -0.188 0.000 0.891 674 L HN 0.510 nan 8.230 nan 0.000 0.432 675 L N 0.012 121.113 121.223 -0.202 0.000 1.989 675 L HA -0.121 4.219 4.340 -0.000 0.000 0.211 675 L C 2.573 179.352 176.870 -0.152 0.000 1.071 675 L CA 2.289 57.043 54.840 -0.143 0.000 0.749 675 L CB -1.346 40.659 42.059 -0.089 0.000 0.890 675 L HN 0.305 nan 8.230 nan 0.000 0.431 676 A N -0.859 121.832 122.820 -0.215 0.000 1.917 676 A HA -0.321 3.999 4.320 -0.000 0.000 0.219 676 A C 2.335 179.804 177.584 -0.192 0.000 1.182 676 A CA 2.118 54.035 52.037 -0.200 0.000 0.633 676 A CB -0.880 17.882 19.000 -0.397 0.000 0.819 676 A HN 0.674 nan 8.150 nan 0.000 0.448 677 E N -0.079 119.959 120.200 -0.270 0.000 2.031 677 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 677 E C 2.054 178.560 176.600 -0.156 0.000 0.994 677 E CA 2.224 58.484 56.400 -0.235 0.000 0.800 677 E CB -0.241 29.299 29.700 -0.266 0.000 0.752 677 E HN 0.589 nan 8.360 nan 0.000 0.447 678 V N -0.583 119.248 119.914 -0.139 0.000 2.626 678 V HA -0.144 3.976 4.120 -0.000 0.000 0.252 678 V C 2.245 178.297 176.094 -0.070 0.000 1.067 678 V CA 1.049 63.290 62.300 -0.099 0.000 1.081 678 V CB -0.363 31.405 31.823 -0.091 0.000 0.686 678 V HN 0.167 nan 8.190 nan 0.000 0.468 679 L N -0.785 120.394 121.223 -0.072 0.000 2.240 679 L HA 0.273 4.613 4.340 -0.000 0.000 0.211 679 L C 2.042 178.898 176.870 -0.023 0.000 1.106 679 L CA 1.557 56.367 54.840 -0.050 0.000 0.793 679 L CB -0.418 41.605 42.059 -0.060 0.000 0.927 679 L HN 0.301 nan 8.230 nan 0.000 0.446 680 L N -1.299 119.916 121.223 -0.013 0.000 2.529 680 L HA 0.080 4.420 4.340 -0.000 0.000 0.223 680 L C 1.917 178.804 176.870 0.028 0.000 1.113 680 L CA 0.756 55.625 54.840 0.047 0.000 0.861 680 L CB -0.413 41.699 42.059 0.087 0.000 1.012 680 L HN 0.121 nan 8.230 nan 0.000 0.461 681 K N -0.807 119.577 120.400 -0.027 0.000 2.387 681 K HA -0.023 4.297 4.320 -0.000 0.000 0.198 681 K C 1.131 177.725 176.600 -0.010 0.000 1.022 681 K CA 0.129 56.391 56.287 -0.041 0.000 1.128 681 K CB 0.323 32.770 32.500 -0.088 0.000 0.853 681 K HN 0.048 nan 8.250 nan 0.000 0.523 682 D N 0.237 120.644 120.400 0.011 0.000 2.197 682 D HA -0.054 4.585 4.640 -0.000 0.000 0.212 682 D C -0.040 176.297 176.300 0.062 0.000 0.963 682 D CA 0.539 54.554 54.000 0.025 0.000 0.864 682 D CB 0.162 40.971 40.800 0.016 0.000 1.009 682 D HN 0.175 nan 8.370 nan 0.000 0.479 683 S N -0.053 115.708 115.700 0.102 0.000 2.499 683 S HA 0.264 4.734 4.470 -0.000 0.000 0.275 683 S C 1.367 176.052 174.600 0.142 0.000 1.257 683 S CA -0.064 58.244 58.200 0.180 0.000 1.050 683 S CB 1.485 64.877 63.200 0.320 0.000 0.937 683 S HN 0.202 nan 8.310 nan 0.000 0.490 684 S N 3.028 118.777 115.700 0.082 0.000 2.361 684 S HA -0.169 4.301 4.470 -0.000 0.000 0.214 684 S C 1.341 175.906 174.600 -0.059 0.000 1.034 684 S CA 0.888 59.097 58.200 0.015 0.000 1.025 684 S CB -1.029 62.172 63.200 0.001 0.000 0.996 684 S HN 0.814 nan 8.310 nan 0.000 0.422 685 E N 0.544 120.585 120.200 -0.264 0.000 2.463 685 E HA -0.019 4.331 4.350 -0.000 0.000 0.201 685 E C -0.232 176.009 176.600 -0.598 0.000 1.045 685 E CA 0.626 56.727 56.400 -0.498 0.000 0.872 685 E CB -0.205 29.041 29.700 -0.757 0.000 0.797 685 E HN 0.655 nan 8.360 nan 0.000 0.538 686 F N -0.540 119.490 119.950 0.132 0.000 2.881 686 F HA 0.131 4.658 4.527 -0.000 0.000 0.343 686 F C 1.286 177.190 175.800 0.173 0.000 1.233 686 F CA -0.413 57.675 58.000 0.146 0.000 1.262 686 F CB 0.341 39.404 39.000 0.106 0.000 0.980 686 F HN -0.134 nan 8.300 nan 0.000 0.506 687 S N -1.721 114.150 115.700 0.285 0.000 2.660 687 S HA -0.001 4.469 4.470 -0.000 0.000 0.228 687 S C 1.071 175.696 174.600 0.042 0.000 0.966 687 S CA 0.705 58.999 58.200 0.157 0.000 0.940 687 S CB -0.739 62.512 63.200 0.085 0.000 0.773 687 S HN 0.419 nan 8.310 nan 0.000 0.535 688 F N 0.859 120.902 119.950 0.156 0.000 2.778 688 F HA 0.512 5.039 4.527 -0.000 0.000 0.314 688 F C 1.473 177.439 175.800 0.277 0.000 1.073 688 F CA 0.278 58.397 58.000 0.198 0.000 1.218 688 F CB 1.133 40.227 39.000 0.156 0.000 1.037 688 F HN 0.509 nan 8.300 nan 0.000 0.594 689 G N 0.297 109.323 108.800 0.376 0.000 2.302 689 G HA2 0.277 4.237 3.960 -0.000 0.000 0.276 689 G HA3 0.277 4.237 3.960 -0.000 0.000 0.276 689 G C -1.878 173.080 174.900 0.096 0.000 1.316 689 G CA -0.557 44.689 45.100 0.242 0.000 0.988 689 G HN -0.054 nan 8.290 nan 0.000 0.479 690 V N 0.110 119.960 119.914 -0.108 0.000 3.182 690 V HA 0.843 4.963 4.120 -0.000 0.000 0.308 690 V C -1.156 174.769 176.094 -0.282 0.000 1.240 690 V CA -1.065 61.076 62.300 -0.265 0.000 1.063 690 V CB 2.348 33.678 31.823 -0.821 0.000 1.076 690 V HN 0.760 nan 8.190 nan 0.000 0.446 691 K N 2.582 122.804 120.400 -0.297 0.000 2.640 691 K HA 0.454 4.774 4.320 -0.000 0.000 0.245 691 K C -1.329 174.928 176.600 -0.571 0.000 0.962 691 K CA -0.026 55.958 56.287 -0.505 0.000 0.896 691 K CB 1.648 33.977 32.500 -0.286 0.000 1.147 691 K HN 0.599 nan 8.250 nan 0.000 0.445 692 F N -0.582 119.095 119.950 -0.455 0.000 2.443 692 F HA 0.561 5.088 4.527 -0.000 0.000 0.335 692 F C 0.318 175.817 175.800 -0.501 0.000 1.104 692 F CA -1.000 56.799 58.000 -0.336 0.000 1.013 692 F CB 0.616 39.525 39.000 -0.152 0.000 1.136 692 F HN 0.197 nan 8.300 nan 0.000 0.470 693 F N 0.610 120.696 119.950 0.227 0.000 2.680 693 F HA 0.207 4.734 4.527 -0.000 0.000 0.290 693 F C 0.373 176.238 175.800 0.109 0.000 1.114 693 F CA -0.360 57.719 58.000 0.132 0.000 1.333 693 F CB -0.097 38.916 39.000 0.023 0.000 1.091 693 F HN 0.556 nan 8.300 nan 0.000 0.606 694 N N -2.411 116.421 118.700 0.220 0.000 2.653 694 N HA 0.146 4.886 4.740 -0.000 0.000 0.294 694 N C 0.050 175.554 175.510 -0.010 0.000 1.305 694 N CA -0.738 52.350 53.050 0.063 0.000 0.827 694 N CB -0.090 38.455 38.487 0.098 0.000 1.415 694 N HN -0.191 nan 8.380 nan 0.000 0.546 695 Y N -0.622 119.723 120.300 0.076 0.000 2.314 695 Y HA 0.154 4.704 4.550 -0.000 0.000 0.293 695 Y C 2.347 178.239 175.900 -0.014 0.000 1.129 695 Y CA 1.671 59.775 58.100 0.007 0.000 1.201 695 Y CB -0.652 37.807 38.460 -0.001 0.000 0.999 695 Y HN 0.799 nan 8.280 nan 0.000 0.541 696 G N -0.578 108.312 108.800 0.151 0.000 2.421 696 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 696 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 696 G C 1.473 176.405 174.900 0.054 0.000 1.171 696 G CA 0.836 45.985 45.100 0.082 0.000 0.775 696 G HN 0.366 nan 8.290 nan 0.000 0.543 697 Q N -0.585 119.252 119.800 0.062 0.000 2.096 697 Q HA -0.073 4.267 4.340 -0.000 0.000 0.204 697 Q C 2.480 178.534 176.000 0.090 0.000 0.982 697 Q CA 1.250 57.092 55.803 0.064 0.000 0.850 697 Q CB -0.288 28.523 28.738 0.122 0.000 0.901 697 Q HN 0.430 nan 8.270 nan 0.000 0.422 698 L N 0.639 121.851 121.223 -0.018 0.000 1.994 698 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 698 L C 2.011 178.821 176.870 -0.100 0.000 1.071 698 L CA 1.657 56.339 54.840 -0.263 0.000 0.745 698 L CB -0.370 41.374 42.059 -0.525 0.000 0.892 698 L HN 0.217 nan 8.230 nan 0.000 0.431 699 I N -0.324 120.224 120.570 -0.036 0.000 2.208 699 I HA -0.345 3.825 4.170 -0.000 0.000 0.245 699 I C 2.614 178.737 176.117 0.010 0.000 1.097 699 I CA 1.259 62.542 61.300 -0.027 0.000 1.363 699 I CB -0.702 37.294 38.000 -0.006 0.000 1.051 699 I HN 0.426 nan 8.210 nan 0.000 0.413 700 A N 0.271 123.135 122.820 0.073 0.000 1.883 700 A HA -0.307 4.013 4.320 -0.000 0.000 0.217 700 A C 2.308 180.033 177.584 0.236 0.000 1.186 700 A CA 1.840 53.970 52.037 0.155 0.000 0.624 700 A CB -1.132 17.941 19.000 0.122 0.000 0.822 700 A HN 0.524 nan 8.150 nan 0.000 0.444 701 Y N 0.656 121.036 120.300 0.133 0.000 2.181 701 Y HA -0.191 4.359 4.550 -0.000 0.000 0.288 701 Y C 2.019 177.787 175.900 -0.221 0.000 1.146 701 Y CA 1.261 59.303 58.100 -0.097 0.000 1.164 701 Y CB -0.155 38.299 38.460 -0.010 0.000 0.982 701 Y HN 0.246 nan 8.280 nan 0.000 0.515 702 I N 0.310 120.736 120.570 -0.240 0.000 2.142 702 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 702 I C 2.190 178.135 176.117 -0.286 0.000 1.078 702 I CA 1.541 62.640 61.300 -0.334 0.000 1.343 702 I CB -1.444 36.419 38.000 -0.228 0.000 1.046 702 I HN 0.237 nan 8.210 nan 0.000 0.405 703 D N 0.358 120.668 120.400 -0.151 0.000 2.190 703 D HA -0.174 4.466 4.640 -0.000 0.000 0.200 703 D C 2.342 178.641 176.300 -0.002 0.000 0.992 703 D CA 1.509 55.477 54.000 -0.053 0.000 0.854 703 D CB 0.217 41.055 40.800 0.065 0.000 0.936 703 D HN 0.247 nan 8.370 nan 0.000 0.462 704 S N -0.020 115.564 115.700 -0.193 0.000 2.348 704 S HA -0.098 4.372 4.470 -0.000 0.000 0.221 704 S C 2.235 176.679 174.600 -0.259 0.000 1.033 704 S CA 0.644 58.607 58.200 -0.396 0.000 1.010 704 S CB -0.222 62.352 63.200 -1.043 0.000 0.891 704 S HN 0.206 nan 8.310 nan 0.000 0.442 705 L N 1.645 122.595 121.223 -0.455 0.000 2.131 705 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 705 L C 2.503 179.221 176.870 -0.254 0.000 1.092 705 L CA 1.482 56.095 54.840 -0.379 0.000 0.759 705 L CB -0.764 40.997 42.059 -0.496 0.000 0.903 705 L HN 0.525 nan 8.230 nan 0.000 0.435 706 N N -0.441 118.101 118.700 -0.263 0.000 2.120 706 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 706 N C 1.910 177.249 175.510 -0.285 0.000 1.024 706 N CA 1.365 54.209 53.050 -0.342 0.000 0.852 706 N CB 0.152 38.428 38.487 -0.353 0.000 1.003 706 N HN 0.209 nan 8.380 nan 0.000 0.424 707 S N 0.956 116.612 115.700 -0.074 0.000 2.359 707 S HA -0.099 4.371 4.470 -0.000 0.000 0.224 707 S C 1.509 176.136 174.600 0.046 0.000 1.035 707 S CA 1.017 59.236 58.200 0.033 0.000 1.018 707 S CB -0.515 62.769 63.200 0.141 0.000 0.876 707 S HN 0.446 nan 8.310 nan 0.000 0.448 708 N N 1.310 120.027 118.700 0.028 0.000 2.192 708 N HA -0.078 4.662 4.740 -0.000 0.000 0.188 708 N C 1.613 177.140 175.510 0.027 0.000 1.013 708 N CA 0.950 54.017 53.050 0.029 0.000 0.863 708 N CB -0.662 37.818 38.487 -0.011 0.000 0.990 708 N HN 0.272 nan 8.380 nan 0.000 0.430 709 V N -0.026 119.873 119.914 -0.024 0.000 2.407 709 V HA -0.128 3.992 4.120 -0.000 0.000 0.245 709 V C 1.646 177.866 176.094 0.210 0.000 1.041 709 V CA 1.052 63.367 62.300 0.024 0.000 1.040 709 V CB -0.592 31.180 31.823 -0.084 0.000 0.671 709 V HN 0.197 nan 8.190 nan 0.000 0.455 710 Y N 0.547 120.877 120.300 0.049 0.000 2.457 710 Y HA 0.066 4.616 4.550 -0.000 0.000 0.292 710 Y C 2.253 178.185 175.900 0.054 0.000 1.125 710 Y CA 0.202 58.339 58.100 0.062 0.000 1.254 710 Y CB -0.620 37.879 38.460 0.066 0.000 1.012 710 Y HN 0.350 nan 8.280 nan 0.000 0.555 711 N N 0.030 118.850 118.700 0.199 0.000 2.373 711 N HA 0.110 4.850 4.740 -0.000 0.000 0.181 711 N C 0.680 176.254 175.510 0.107 0.000 1.082 711 N CA 0.394 53.520 53.050 0.126 0.000 0.885 711 N CB 0.018 38.562 38.487 0.096 0.000 0.977 711 N HN 0.072 nan 8.380 nan 0.000 0.462 712 A N 0.655 123.546 122.820 0.117 0.000 2.520 712 A HA 0.175 4.495 4.320 -0.000 0.000 0.235 712 A C 0.715 178.358 177.584 0.099 0.000 1.065 712 A CA 0.047 52.143 52.037 0.099 0.000 0.764 712 A CB 0.187 19.247 19.000 0.100 0.000 1.002 712 A HN 0.143 nan 8.150 nan 0.000 0.502 713 S N 0.060 115.810 115.700 0.084 0.000 2.562 713 S HA 0.473 4.942 4.470 -0.000 0.000 0.275 713 S C 0.555 175.214 174.600 0.098 0.000 1.281 713 S CA -0.057 58.189 58.200 0.076 0.000 1.045 713 S CB 0.054 63.291 63.200 0.062 0.000 0.962 713 S HN 0.996 nan 8.310 nan 0.000 0.503 714 I N 1.620 122.244 120.570 0.089 0.000 3.833 714 I HA 0.331 4.501 4.170 -0.000 0.000 0.328 714 I C 0.284 176.448 176.117 0.077 0.000 1.554 714 I CA -0.680 60.695 61.300 0.125 0.000 1.116 714 I CB 0.128 38.220 38.000 0.153 0.000 1.182 714 I HN 0.517 nan 8.210 nan 0.000 0.459 715 T N -1.352 113.236 114.554 0.056 0.000 2.817 715 T HA 0.431 4.780 4.350 -0.000 0.000 0.293 715 T C -0.158 174.583 174.700 0.069 0.000 0.964 715 T CA -0.310 61.816 62.100 0.042 0.000 1.085 715 T CB 1.584 70.468 68.868 0.027 0.000 0.921 715 T HN 0.281 nan 8.240 nan 0.000 0.502 716 E N 2.765 123.008 120.200 0.072 0.000 2.105 716 E HA 0.157 4.507 4.350 -0.000 0.000 0.285 716 E C 0.841 177.476 176.600 0.058 0.000 1.055 716 E CA -0.599 55.850 56.400 0.082 0.000 0.843 716 E CB 0.470 30.225 29.700 0.092 0.000 1.067 716 E HN 0.722 nan 8.360 nan 0.000 0.398 717 N N 1.907 120.640 118.700 0.055 0.000 2.434 717 N HA -0.070 4.670 4.740 -0.000 0.000 0.196 717 N C -0.670 174.861 175.510 0.034 0.000 1.183 717 N CA 0.008 53.084 53.050 0.044 0.000 0.849 717 N CB 0.158 38.673 38.487 0.046 0.000 0.992 717 N HN 0.291 nan 8.380 nan 0.000 0.460 718 S N -1.584 114.124 115.700 0.014 0.000 2.688 718 S HA 0.183 4.653 4.470 -0.000 0.000 0.269 718 S C 0.311 174.849 174.600 -0.103 0.000 1.060 718 S CA -0.749 57.432 58.200 -0.031 0.000 0.844 718 S CB -0.703 62.451 63.200 -0.076 0.000 1.095 718 S HN 0.041 nan 8.310 nan 0.000 0.466 719 F N 0.509 120.370 119.950 -0.147 0.000 2.250 719 F HA 0.166 4.693 4.527 -0.000 0.000 0.301 719 F C 1.478 177.149 175.800 -0.216 0.000 1.077 719 F CA 0.761 58.649 58.000 -0.186 0.000 1.348 719 F CB -0.816 38.021 39.000 -0.271 0.000 1.040 719 F HN 0.440 nan 8.300 nan 0.000 0.509 720 F N 0.956 120.196 119.950 -1.183 0.000 2.095 720 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 720 F C 2.444 177.686 175.800 -0.930 0.000 1.104 720 F CA 1.529 58.868 58.000 -1.103 0.000 1.232 720 F CB -0.861 37.526 39.000 -1.021 0.000 0.987 720 F HN 0.002 nan 8.300 nan 0.000 0.475 721 M N -0.919 118.516 119.600 -0.275 0.000 2.229 721 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 721 M C 2.054 178.400 176.300 0.077 0.000 1.063 721 M CA 1.393 56.681 55.300 -0.019 0.000 1.114 721 M CB -2.097 30.564 32.600 0.100 0.000 1.387 721 M HN 0.062 nan 8.290 nan 0.000 0.420 722 T N 0.815 115.397 114.554 0.046 0.000 2.777 722 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 722 T C 1.595 176.388 174.700 0.155 0.000 1.040 722 T CA 1.098 63.266 62.100 0.114 0.000 1.141 722 T CB -0.415 68.516 68.868 0.104 0.000 0.868 722 T HN 0.316 nan 8.240 nan 0.000 0.444 723 F N 1.228 121.166 119.950 -0.020 0.000 2.075 723 F HA -0.114 4.413 4.527 -0.000 0.000 0.297 723 F C 1.782 177.681 175.800 0.165 0.000 1.113 723 F CA 1.304 59.328 58.000 0.040 0.000 1.218 723 F CB -0.343 38.627 39.000 -0.050 0.000 0.984 723 F HN 0.029 nan 8.300 nan 0.000 0.472 724 F N 1.036 121.262 119.950 0.460 0.000 2.032 724 F HA -0.282 4.245 4.527 -0.000 0.000 0.297 724 F C 2.772 178.697 175.800 0.208 0.000 1.125 724 F CA 1.991 60.181 58.000 0.316 0.000 1.202 724 F CB -1.642 37.476 39.000 0.197 0.000 0.958 724 F HN -0.008 nan 8.300 nan 0.000 0.491 725 R N 0.373 121.100 120.500 0.379 0.000 2.083 725 R HA -0.163 4.176 4.340 -0.000 0.000 0.237 725 R C 2.295 178.697 176.300 0.169 0.000 1.137 725 R CA 1.959 58.205 56.100 0.243 0.000 0.951 725 R CB -0.527 29.911 30.300 0.230 0.000 0.851 725 R HN 0.268 nan 8.270 nan 0.000 0.434 726 S N -0.150 115.624 115.700 0.122 0.000 2.368 726 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 726 S C 1.541 176.148 174.600 0.013 0.000 1.030 726 S CA 1.326 59.550 58.200 0.041 0.000 0.999 726 S CB -0.460 62.724 63.200 -0.027 0.000 0.844 726 S HN 0.475 nan 8.310 nan 0.000 0.459 727 Y N 1.416 121.627 120.300 -0.148 0.000 2.181 727 Y HA -0.044 4.506 4.550 -0.000 0.000 0.288 727 Y C 1.880 177.771 175.900 -0.014 0.000 1.146 727 Y CA 1.359 59.376 58.100 -0.138 0.000 1.164 727 Y CB -0.073 38.299 38.460 -0.147 0.000 0.982 727 Y HN 0.192 nan 8.280 nan 0.000 0.515 728 I N -0.856 119.820 120.570 0.177 0.000 2.429 728 I HA -0.089 4.081 4.170 -0.000 0.000 0.247 728 I C 1.385 177.525 176.117 0.037 0.000 1.099 728 I CA 0.118 61.474 61.300 0.094 0.000 1.422 728 I CB 0.060 38.137 38.000 0.129 0.000 1.112 728 I HN 0.065 nan 8.210 nan 0.000 0.430 729 I N 0.000 120.610 120.570 0.067 0.000 2.984 729 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 729 I CA 0.000 61.358 61.300 0.097 0.000 1.566 729 I CB 0.000 38.056 38.000 0.094 0.000 1.214 729 I HN 0.000 nan 8.210 nan 0.000 0.494