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 1sox_1_B DATA FIRST_RESID 3 DATA SEQUENCE SYPEYTREEV GRHRSPEERV WVTHGTDVFD VTDFVELHPG GPDKILLAAG DATA SEQUENCE GALEPFWALY AVHGEPHVLE LLQQYKVGEL SPDXXXXXXD AQDPFAGDPP DATA SEQUENCE RHPGLRVNSQ KPFNAEPPAE LLAERFLTPN ELFFTRNHLP VPAVEPSSYR DATA SEQUENCE LRVDGPGGGT LSLSLAELRS RFPKHEVTAT LQCAGNRRSE MSRVRPVKGL DATA SEQUENCE PWDIGAISTA RWGGARLRDV LLHAGFPEEL QGEWHVCFEG LDADPGGAPY DATA SEQUENCE GASIPYGRAL SPAADVLLAY EMNGTELPRD HGFPVRVVVP GVVGARSVKW DATA SEQUENCE LRRVAVSPDE SPSHWQQNDY KGFSPCVDWD TVDYRTAPAI QELPVQSAVT DATA SEQUENCE QPRPGAAVPP GELTVKGYAW SGGGREVVRV DVSLDGGRTW KVARLMGDKA DATA SEQUENCE PPGRAWAWAL WELTVPVEAG TELEIVCKAV DSSYNVQPDS VAPIWNLRGV DATA SEQUENCE LSTAWHRVRV SVQD 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.298 174.600 -0.503 0.000 1.055 3 S CA 0.000 58.031 58.200 -0.282 0.000 1.107 3 S CB 0.000 63.071 63.200 -0.216 0.000 0.593 4 Y N 3.520 123.773 120.300 -0.080 0.000 2.406 4 Y HA 0.749 5.298 4.550 -0.001 0.000 0.340 4 Y C -2.816 173.001 175.900 -0.138 0.000 0.975 4 Y CA -1.992 56.047 58.100 -0.101 0.000 1.056 4 Y CB 1.119 39.511 38.460 -0.114 0.000 1.210 4 Y HN 0.093 nan 8.280 nan 0.000 0.448 5 P HA 0.167 nan 4.420 nan 0.000 0.272 5 P C -0.982 176.086 177.300 -0.388 0.000 1.223 5 P CA -0.369 62.590 63.100 -0.234 0.000 0.784 5 P CB 1.016 32.527 31.700 -0.315 0.000 0.923 6 E N 1.246 121.173 120.200 -0.455 0.000 2.191 6 E HA 0.404 4.752 4.350 -0.002 0.000 0.274 6 E C -0.880 175.407 176.600 -0.522 0.000 0.948 6 E CA -0.433 55.751 56.400 -0.360 0.000 0.802 6 E CB 1.162 30.760 29.700 -0.170 0.000 1.137 6 E HN 0.418 nan 8.360 nan 0.000 0.397 7 Y N -0.227 120.077 120.300 0.006 0.000 2.512 7 Y HA 0.228 4.776 4.550 -0.002 0.000 0.348 7 Y C 0.757 176.682 175.900 0.040 0.000 0.990 7 Y CA -0.972 57.164 58.100 0.060 0.000 1.033 7 Y CB 1.914 40.457 38.460 0.140 0.000 1.259 7 Y HN 0.452 nan 8.280 nan 0.000 0.461 8 T N -2.014 112.667 114.554 0.211 0.000 2.847 8 T HA 0.358 4.707 4.350 -0.002 0.000 0.279 8 T C 1.058 175.832 174.700 0.123 0.000 0.984 8 T CA -0.714 61.456 62.100 0.117 0.000 0.988 8 T CB 1.126 70.041 68.868 0.078 0.000 1.040 8 T HN 0.724 nan 8.240 nan 0.000 0.528 9 R N 0.122 120.660 120.500 0.064 0.000 2.096 9 R HA -0.112 4.227 4.340 -0.002 0.000 0.235 9 R C 2.495 178.823 176.300 0.046 0.000 1.127 9 R CA 1.756 57.882 56.100 0.045 0.000 0.968 9 R CB -0.353 29.947 30.300 0.001 0.000 0.861 9 R HN 0.902 nan 8.270 nan 0.000 0.440 10 E N 1.202 121.425 120.200 0.039 0.000 2.085 10 E HA -0.232 4.116 4.350 -0.002 0.000 0.194 10 E C 1.535 178.161 176.600 0.043 0.000 0.994 10 E CA 1.378 57.794 56.400 0.026 0.000 0.801 10 E CB 0.127 29.838 29.700 0.019 0.000 0.743 10 E HN 0.392 nan 8.360 nan 0.000 0.453 11 E N -0.071 120.189 120.200 0.101 0.000 2.051 11 E HA -0.168 4.181 4.350 -0.002 0.000 0.192 11 E C 2.242 178.930 176.600 0.146 0.000 0.991 11 E CA 1.408 57.891 56.400 0.138 0.000 0.799 11 E CB 0.053 29.919 29.700 0.276 0.000 0.748 11 E HN 0.159 nan 8.360 nan 0.000 0.449 12 V N 0.942 120.981 119.914 0.210 0.000 2.392 12 V HA -0.201 3.918 4.120 -0.002 0.000 0.249 12 V C 2.305 178.475 176.094 0.127 0.000 1.059 12 V CA 1.882 64.350 62.300 0.281 0.000 1.051 12 V CB -0.905 31.067 31.823 0.249 0.000 0.658 12 V HN 0.421 nan 8.190 nan 0.000 0.455 13 G N -0.315 108.509 108.800 0.039 0.000 2.535 13 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.218 13 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.218 13 G C 1.587 176.426 174.900 -0.102 0.000 1.122 13 G CA 0.214 45.300 45.100 -0.023 0.000 0.769 13 G HN 0.486 nan 8.290 nan 0.000 0.549 14 R N -0.280 120.097 120.500 -0.204 0.000 2.310 14 R HA 0.104 4.443 4.340 -0.002 0.000 0.202 14 R C -0.191 175.650 176.300 -0.766 0.000 0.933 14 R CA 0.047 55.890 56.100 -0.429 0.000 1.054 14 R CB 0.218 30.221 30.300 -0.494 0.000 0.985 14 R HN 0.353 nan 8.270 nan 0.000 0.489 15 H N 0.604 119.458 119.070 -0.359 0.000 2.645 15 H HA 0.312 4.867 4.556 -0.001 0.000 0.257 15 H C 0.032 175.222 175.328 -0.229 0.000 1.269 15 H CA -0.252 55.501 56.048 -0.491 0.000 1.409 15 H CB 0.705 29.742 29.762 -1.207 0.000 1.434 15 H HN 0.022 nan 8.280 nan 0.000 0.505 16 R N 0.965 121.400 120.500 -0.107 0.000 2.642 16 R HA 0.192 4.530 4.340 -0.002 0.000 0.435 16 R C -0.342 175.941 176.300 -0.028 0.000 1.046 16 R CA -0.261 55.817 56.100 -0.037 0.000 1.103 16 R CB 0.879 31.157 30.300 -0.037 0.000 1.425 16 R HN 0.469 nan 8.270 nan 0.000 0.586 17 S N -1.949 113.734 115.700 -0.029 0.000 2.578 17 S HA 0.329 4.797 4.470 -0.002 0.000 0.272 17 S C -2.646 171.955 174.600 0.003 0.000 1.145 17 S CA -1.208 56.984 58.200 -0.014 0.000 0.835 17 S CB 2.137 65.319 63.200 -0.031 0.000 1.104 17 S HN -0.256 nan 8.310 nan 0.000 0.458 18 P HA -0.182 nan 4.420 nan 0.000 0.216 18 P C 1.373 178.690 177.300 0.029 0.000 1.154 18 P CA 1.829 64.948 63.100 0.031 0.000 0.865 18 P CB -0.077 31.639 31.700 0.026 0.000 0.789 19 E N 0.656 120.861 120.200 0.008 0.000 2.072 19 E HA -0.181 4.168 4.350 -0.002 0.000 0.190 19 E C 1.608 178.206 176.600 -0.003 0.000 0.982 19 E CA 1.328 57.729 56.400 0.003 0.000 0.803 19 E CB -1.038 28.655 29.700 -0.012 0.000 0.755 19 E HN 0.456 nan 8.360 nan 0.000 0.453 20 E N 0.628 120.809 120.200 -0.032 0.000 2.385 20 E HA 0.104 4.453 4.350 -0.002 0.000 0.194 20 E C -0.129 176.489 176.600 0.029 0.000 1.013 20 E CA -0.178 56.191 56.400 -0.053 0.000 0.866 20 E CB 0.094 29.668 29.700 -0.210 0.000 0.832 20 E HN 0.024 nan 8.360 nan 0.000 0.500 21 R N -0.430 120.084 120.500 0.024 0.000 1.198 21 R HA -0.082 4.257 4.340 -0.002 0.000 0.432 21 R C -1.236 175.106 176.300 0.070 0.000 1.352 21 R CA 0.068 56.218 56.100 0.084 0.000 0.985 21 R CB -0.922 29.483 30.300 0.174 0.000 3.033 21 R HN 0.015 nan 8.270 nan 0.000 0.534 22 V N 3.898 123.917 119.914 0.175 0.000 2.368 22 V HA 0.346 4.465 4.120 -0.002 0.000 0.266 22 V C -0.012 176.299 176.094 0.362 0.000 1.045 22 V CA -0.222 62.179 62.300 0.170 0.000 0.899 22 V CB 0.507 32.391 31.823 0.102 0.000 1.006 22 V HN 0.425 nan 8.190 nan 0.000 0.470 23 W N 4.517 125.832 121.300 0.025 0.000 2.606 23 W HA 0.783 5.442 4.660 -0.001 0.000 0.332 23 W C -0.196 176.322 176.519 -0.001 0.000 1.052 23 W CA -1.058 56.283 57.345 -0.005 0.000 1.223 23 W CB 1.725 31.149 29.460 -0.060 0.000 1.383 23 W HN 0.489 nan 8.180 nan 0.000 0.524 24 V N -0.619 119.421 119.914 0.211 0.000 3.130 24 V HA 0.927 5.046 4.120 -0.002 0.000 0.310 24 V C -0.361 175.827 176.094 0.157 0.000 1.158 24 V CA -1.141 61.235 62.300 0.127 0.000 1.029 24 V CB 1.346 33.187 31.823 0.030 0.000 1.057 24 V HN 0.563 nan 8.190 nan 0.000 0.436 25 T N -1.229 113.395 114.554 0.117 0.000 2.924 25 T HA 0.707 5.056 4.350 -0.002 0.000 0.291 25 T C -0.903 173.899 174.700 0.170 0.000 1.045 25 T CA -0.399 61.779 62.100 0.131 0.000 1.015 25 T CB 1.774 70.663 68.868 0.035 0.000 1.103 25 T HN 1.314 nan 8.240 nan 0.000 0.496 26 H N -0.216 118.910 119.070 0.093 0.000 3.179 26 H HA 0.438 4.992 4.556 -0.002 0.000 0.331 26 H C 0.668 176.011 175.328 0.024 0.000 1.013 26 H CA 0.256 56.288 56.048 -0.027 0.000 1.430 26 H CB 0.963 30.637 29.762 -0.147 0.000 1.895 26 H HN 1.348 nan 8.280 nan 0.000 0.468 27 G N 2.981 111.555 108.800 -0.376 0.000 2.561 27 G HA2 -0.382 3.577 3.960 -0.002 0.000 0.289 27 G HA3 -0.382 3.577 3.960 -0.002 0.000 0.289 27 G C 0.824 175.646 174.900 -0.131 0.000 1.169 27 G CA 0.760 45.707 45.100 -0.255 0.000 0.980 27 G HN 0.881 nan 8.290 nan 0.000 0.550 28 T N -1.467 113.020 114.554 -0.113 0.000 3.176 28 T HA 0.484 4.833 4.350 -0.002 0.000 0.263 28 T C -0.133 174.473 174.700 -0.157 0.000 1.021 28 T CA 0.757 62.792 62.100 -0.108 0.000 0.905 28 T CB 0.436 69.248 68.868 -0.094 0.000 1.057 28 T HN 0.463 nan 8.240 nan 0.000 0.558 29 D N 1.341 121.626 120.400 -0.192 0.000 2.181 29 D HA 0.537 5.176 4.640 -0.002 0.000 0.248 29 D C -0.616 175.372 176.300 -0.521 0.000 1.020 29 D CA -0.482 53.263 54.000 -0.425 0.000 0.891 29 D CB 2.306 42.779 40.800 -0.545 0.000 1.187 29 D HN 0.038 nan 8.370 nan 0.000 0.443 30 V N 2.412 121.909 119.914 -0.694 0.000 2.459 30 V HA 0.455 4.574 4.120 -0.002 0.000 0.295 30 V C -0.600 174.976 176.094 -0.864 0.000 1.029 30 V CA -0.680 61.275 62.300 -0.574 0.000 0.874 30 V CB 0.793 32.367 31.823 -0.414 0.000 0.985 30 V HN 0.331 nan 8.190 nan 0.000 0.438 31 F N 1.953 121.740 119.950 -0.272 0.000 2.520 31 F HA 0.475 5.001 4.527 -0.002 0.000 0.322 31 F C 0.073 175.709 175.800 -0.273 0.000 1.103 31 F CA -0.875 56.987 58.000 -0.229 0.000 0.926 31 F CB 1.664 40.588 39.000 -0.126 0.000 1.154 31 F HN 0.416 nan 8.300 nan 0.000 0.453 32 D N 2.453 122.813 120.400 -0.066 0.000 2.456 32 D HA 0.229 4.868 4.640 -0.002 0.000 0.219 32 D C 0.245 176.649 176.300 0.172 0.000 1.126 32 D CA -0.241 53.775 54.000 0.025 0.000 0.890 32 D CB 1.100 41.907 40.800 0.011 0.000 1.025 32 D HN 0.355 nan 8.370 nan 0.000 0.511 33 V N 1.633 121.602 119.914 0.091 0.000 3.252 33 V HA 0.146 4.265 4.120 -0.002 0.000 0.350 33 V C 1.517 177.632 176.094 0.034 0.000 1.329 33 V CA -0.115 62.123 62.300 -0.103 0.000 1.258 33 V CB -0.533 31.175 31.823 -0.192 0.000 1.208 33 V HN 0.331 nan 8.190 nan 0.000 0.462 34 T N 0.988 115.623 114.554 0.135 0.000 2.635 34 T HA -0.215 4.134 4.350 -0.002 0.000 0.267 34 T C 1.452 176.220 174.700 0.114 0.000 1.040 34 T CA 2.455 64.632 62.100 0.128 0.000 1.156 34 T CB -0.362 68.598 68.868 0.154 0.000 0.863 34 T HN 0.577 nan 8.240 nan 0.000 0.430 35 D N 0.079 120.581 120.400 0.169 0.000 2.269 35 D HA 0.022 4.661 4.640 -0.002 0.000 0.208 35 D C 1.512 177.918 176.300 0.178 0.000 0.963 35 D CA 0.401 54.512 54.000 0.185 0.000 0.864 35 D CB -0.291 40.668 40.800 0.266 0.000 0.936 35 D HN 0.391 nan 8.370 nan 0.000 0.505 36 F N 0.835 120.752 119.950 -0.055 0.000 2.615 36 F HA -0.049 4.477 4.527 -0.002 0.000 0.297 36 F C 1.878 177.640 175.800 -0.063 0.000 1.124 36 F CA 0.337 58.258 58.000 -0.132 0.000 1.451 36 F CB 0.146 38.765 39.000 -0.636 0.000 1.103 36 F HN -0.264 nan 8.300 nan 0.000 0.569 37 V N 1.712 121.587 119.914 -0.064 0.000 2.392 37 V HA -0.337 3.782 4.120 -0.002 0.000 0.249 37 V C 2.303 178.309 176.094 -0.146 0.000 1.059 37 V CA 2.383 64.625 62.300 -0.096 0.000 1.051 37 V CB -0.999 30.809 31.823 -0.026 0.000 0.658 37 V HN 0.569 nan 8.190 nan 0.000 0.455 38 E N 0.479 120.602 120.200 -0.128 0.000 2.274 38 E HA -0.102 4.247 4.350 -0.002 0.000 0.194 38 E C 1.769 178.267 176.600 -0.170 0.000 0.996 38 E CA 0.989 57.325 56.400 -0.106 0.000 0.840 38 E CB -0.242 29.427 29.700 -0.052 0.000 0.772 38 E HN 0.604 nan 8.360 nan 0.000 0.491 39 L N 0.506 121.535 121.223 -0.324 0.000 2.607 39 L HA 0.175 4.514 4.340 -0.002 0.000 0.228 39 L C 1.275 177.825 176.870 -0.534 0.000 1.123 39 L CA -0.347 54.264 54.840 -0.380 0.000 0.890 39 L CB -0.440 41.414 42.059 -0.343 0.000 1.103 39 L HN 0.257 nan 8.230 nan 0.000 0.468 40 H N 3.848 122.491 119.070 -0.711 0.000 2.975 40 H HA 0.118 4.673 4.556 -0.002 0.000 0.303 40 H C -2.164 173.044 175.328 -0.200 0.000 1.023 40 H CA -1.629 54.139 56.048 -0.466 0.000 1.473 40 H CB 1.039 30.647 29.762 -0.257 0.000 1.498 40 H HN -0.079 nan 8.280 nan 0.000 0.549 41 P HA 0.033 nan 4.420 nan 0.000 0.263 41 P C 0.790 177.804 177.300 -0.477 0.000 1.195 41 P CA 1.163 64.012 63.100 -0.418 0.000 0.762 41 P CB 0.516 32.025 31.700 -0.318 0.000 0.799 42 G N 1.765 110.421 108.800 -0.240 0.000 2.232 42 G HA2 0.135 4.093 3.960 -0.002 0.000 0.226 42 G HA3 0.135 4.093 3.960 -0.002 0.000 0.226 42 G C 0.371 175.232 174.900 -0.065 0.000 0.996 42 G CA 0.148 45.158 45.100 -0.150 0.000 0.626 42 G HN 1.086 nan 8.290 nan 0.000 0.509 43 G N -0.990 107.785 108.800 -0.041 0.000 2.423 43 G HA2 0.433 4.392 3.960 -0.002 0.000 0.684 43 G HA3 0.433 4.392 3.960 -0.002 0.000 0.684 43 G C -1.388 173.571 174.900 0.098 0.000 1.309 43 G CA 0.300 45.407 45.100 0.013 0.000 0.950 43 G HN 0.671 nan 8.290 nan 0.000 0.587 44 P HA 0.110 nan 4.420 nan 0.000 0.227 44 P C 0.985 178.283 177.300 -0.004 0.000 1.161 44 P CA 1.270 64.377 63.100 0.012 0.000 0.788 44 P CB 0.159 31.852 31.700 -0.012 0.000 0.822 45 D N 0.854 121.262 120.400 0.013 0.000 2.137 45 D HA -0.202 4.437 4.640 -0.002 0.000 0.189 45 D C 2.047 178.341 176.300 -0.009 0.000 0.998 45 D CA 1.446 55.450 54.000 0.008 0.000 0.839 45 D CB -0.398 40.414 40.800 0.021 0.000 0.962 45 D HN 0.038 nan 8.370 nan 0.000 0.446 46 K N 0.334 120.738 120.400 0.007 0.000 1.991 46 K HA -0.121 4.198 4.320 -0.002 0.000 0.212 46 K C 2.446 178.945 176.600 -0.168 0.000 1.049 46 K CA 0.520 56.793 56.287 -0.023 0.000 0.932 46 K CB -0.980 31.546 32.500 0.043 0.000 0.717 46 K HN 0.272 nan 8.250 nan 0.000 0.441 47 I N 1.238 121.631 120.570 -0.295 0.000 2.194 47 I HA -0.284 3.884 4.170 -0.002 0.000 0.246 47 I C 1.999 177.940 176.117 -0.293 0.000 1.093 47 I CA 1.208 62.242 61.300 -0.444 0.000 1.355 47 I CB -0.010 37.599 38.000 -0.652 0.000 1.046 47 I HN 0.086 nan 8.210 nan 0.000 0.413 48 L N -0.096 121.019 121.223 -0.179 0.000 2.353 48 L HA -0.197 4.142 4.340 -0.002 0.000 0.220 48 L C 2.202 179.005 176.870 -0.111 0.000 1.133 48 L CA 0.237 55.010 54.840 -0.112 0.000 0.798 48 L CB -0.448 41.579 42.059 -0.054 0.000 0.922 48 L HN 0.326 nan 8.230 nan 0.000 0.445 49 L N -0.059 121.062 121.223 -0.170 0.000 2.191 49 L HA -0.147 4.192 4.340 -0.002 0.000 0.212 49 L C 2.529 179.282 176.870 -0.195 0.000 1.103 49 L CA 1.835 56.597 54.840 -0.131 0.000 0.769 49 L CB -1.017 40.970 42.059 -0.120 0.000 0.908 49 L HN 0.186 nan 8.230 nan 0.000 0.438 50 A N -0.992 121.538 122.820 -0.483 0.000 2.218 50 A HA 0.368 4.687 4.320 -0.002 0.000 0.209 50 A C 1.362 178.965 177.584 0.031 0.000 1.168 50 A CA 0.420 52.299 52.037 -0.264 0.000 0.804 50 A CB -0.714 17.977 19.000 -0.516 0.000 0.834 50 A HN 0.270 nan 8.150 nan 0.000 0.482 51 A N -0.410 122.403 122.820 -0.011 0.000 2.591 51 A HA 0.377 4.695 4.320 -0.002 0.000 0.244 51 A C 1.701 179.318 177.584 0.055 0.000 1.031 51 A CA 0.865 52.918 52.037 0.026 0.000 0.767 51 A CB -0.870 18.137 19.000 0.013 0.000 0.942 51 A HN 2.044 nan 8.150 nan 0.000 0.514 52 G N 1.306 110.146 108.800 0.067 0.000 2.162 52 G HA2 0.116 4.075 3.960 -0.002 0.000 0.260 52 G HA3 0.116 4.075 3.960 -0.002 0.000 0.260 52 G C 0.932 175.833 174.900 0.003 0.000 0.976 52 G CA 0.845 45.979 45.100 0.055 0.000 0.655 52 G HN 2.272 nan 8.290 nan 0.000 0.533 53 G N -1.195 107.584 108.800 -0.035 0.000 2.975 53 G HA2 0.848 4.807 3.960 -0.002 0.000 0.291 53 G HA3 0.848 4.807 3.960 -0.002 0.000 0.291 53 G C -0.064 174.799 174.900 -0.062 0.000 1.334 53 G CA 0.234 45.197 45.100 -0.227 0.000 0.843 53 G HN 1.533 nan 8.290 nan 0.000 0.548 54 A N -0.761 122.013 122.820 -0.077 0.000 2.425 54 A HA 0.554 4.872 4.320 -0.002 0.000 0.249 54 A C 1.067 178.862 177.584 0.352 0.000 1.084 54 A CA -0.364 51.757 52.037 0.140 0.000 0.781 54 A CB 0.343 19.421 19.000 0.130 0.000 1.019 54 A HN 0.565 nan 8.150 nan 0.000 0.490 55 L N 0.985 122.267 121.223 0.098 0.000 2.375 55 L HA -0.040 4.299 4.340 -0.002 0.000 0.215 55 L C 2.094 178.987 176.870 0.037 0.000 1.108 55 L CA 0.525 55.338 54.840 -0.045 0.000 0.830 55 L CB -0.385 41.172 42.059 -0.838 0.000 0.959 55 L HN 0.848 nan 8.230 nan 0.000 0.457 56 E N 0.685 120.916 120.200 0.052 0.000 2.082 56 E HA -0.255 4.094 4.350 -0.002 0.000 0.215 56 E C -0.654 176.020 176.600 0.123 0.000 1.048 56 E CA 2.335 58.795 56.400 0.100 0.000 0.869 56 E CB -1.380 28.356 29.700 0.060 0.000 0.773 56 E HN 0.373 nan 8.360 nan 0.000 0.466 57 P HA -0.163 nan 4.420 nan 0.000 0.216 57 P C 1.042 178.232 177.300 -0.183 0.000 1.150 57 P CA 1.460 64.444 63.100 -0.193 0.000 0.837 57 P CB -0.114 31.305 31.700 -0.468 0.000 0.786 58 F N -2.156 117.874 119.950 0.135 0.000 2.206 58 F HA 0.009 4.535 4.527 -0.002 0.000 0.298 58 F C 2.867 178.887 175.800 0.367 0.000 1.090 58 F CA 0.663 58.797 58.000 0.222 0.000 1.323 58 F CB -1.434 37.680 39.000 0.189 0.000 1.028 58 F HN -0.078 nan 8.300 nan 0.000 0.492 59 W N 0.401 121.798 121.300 0.163 0.000 2.342 59 W HA -0.217 4.442 4.660 -0.002 0.000 0.297 59 W C 2.437 179.039 176.519 0.138 0.000 1.213 59 W CA 0.799 58.214 57.345 0.117 0.000 1.251 59 W CB -0.196 29.321 29.460 0.095 0.000 1.136 59 W HN 0.007 nan 8.180 nan 0.000 0.526 60 A N -0.063 122.938 122.820 0.301 0.000 1.968 60 A HA -0.124 4.195 4.320 -0.002 0.000 0.217 60 A C 1.908 179.523 177.584 0.050 0.000 1.169 60 A CA 0.964 53.087 52.037 0.143 0.000 0.638 60 A CB -0.876 18.169 19.000 0.076 0.000 0.812 60 A HN 0.255 nan 8.150 nan 0.000 0.446 61 L N -2.301 118.932 121.223 0.018 0.000 2.109 61 L HA -0.063 4.276 4.340 -0.002 0.000 0.207 61 L C 0.143 176.733 176.870 -0.466 0.000 1.086 61 L CA 0.790 55.486 54.840 -0.241 0.000 0.760 61 L CB -0.238 41.651 42.059 -0.283 0.000 0.910 61 L HN 0.457 nan 8.230 nan 0.000 0.437 62 Y N -1.258 119.146 120.300 0.174 0.000 2.749 62 Y HA 0.396 4.945 4.550 -0.002 0.000 0.343 62 Y C 0.935 176.897 175.900 0.103 0.000 1.015 62 Y CA -0.669 57.526 58.100 0.158 0.000 1.270 62 Y CB 0.759 39.375 38.460 0.261 0.000 1.097 62 Y HN -0.106 nan 8.280 nan 0.000 0.571 63 A N 0.854 123.739 122.820 0.108 0.000 2.178 63 A HA -0.126 4.192 4.320 -0.002 0.000 0.218 63 A C 2.224 179.777 177.584 -0.052 0.000 1.157 63 A CA 1.610 53.665 52.037 0.030 0.000 0.689 63 A CB -0.428 18.588 19.000 0.027 0.000 0.787 63 A HN 0.640 nan 8.150 nan 0.000 0.465 64 V N -0.288 119.581 119.914 -0.075 0.000 2.453 64 V HA -0.317 3.802 4.120 -0.002 0.000 0.252 64 V C 2.103 177.966 176.094 -0.385 0.000 1.068 64 V CA 2.737 64.925 62.300 -0.186 0.000 1.070 64 V CB -0.888 30.813 31.823 -0.202 0.000 0.664 64 V HN 0.807 nan 8.190 nan 0.000 0.461 65 H N -0.101 118.691 119.070 -0.463 0.000 2.521 65 H HA 0.045 4.600 4.556 -0.002 0.000 0.286 65 H C 2.128 176.942 175.328 -0.856 0.000 1.034 65 H CA 1.155 56.635 56.048 -0.946 0.000 1.278 65 H CB -0.331 28.343 29.762 -1.812 0.000 1.386 65 H HN 0.545 nan 8.280 nan 0.000 0.567 66 G N 0.096 108.677 108.800 -0.365 0.000 2.650 66 G HA2 -0.108 3.851 3.960 -0.002 0.000 0.214 66 G HA3 -0.108 3.851 3.960 -0.002 0.000 0.214 66 G C 0.498 175.343 174.900 -0.091 0.000 1.136 66 G CA -0.056 44.960 45.100 -0.141 0.000 0.789 66 G HN 0.210 nan 8.290 nan 0.000 0.536 67 E N 0.642 120.751 120.200 -0.153 0.000 2.415 67 E HA 0.087 4.436 4.350 -0.002 0.000 0.262 67 E C -1.264 175.284 176.600 -0.087 0.000 1.038 67 E CA -2.007 54.346 56.400 -0.078 0.000 0.921 67 E CB 0.867 30.551 29.700 -0.027 0.000 0.950 67 E HN -0.007 nan 8.360 nan 0.000 0.438 68 P HA -0.222 nan 4.420 nan 0.000 0.216 68 P C 1.234 178.564 177.300 0.049 0.000 1.157 68 P CA 1.773 64.908 63.100 0.058 0.000 0.880 68 P CB -0.123 31.632 31.700 0.091 0.000 0.791 69 H N -1.329 117.737 119.070 -0.006 0.000 2.423 69 H HA 0.001 4.556 4.556 -0.002 0.000 0.297 69 H C 1.653 176.980 175.328 -0.002 0.000 1.075 69 H CA 1.077 57.124 56.048 -0.001 0.000 1.342 69 H CB -1.355 28.402 29.762 -0.008 0.000 1.395 69 H HN -0.021 nan 8.280 nan 0.000 0.530 70 V N 1.440 121.009 119.914 -0.575 0.000 2.323 70 V HA -0.182 3.937 4.120 -0.002 0.000 0.244 70 V C 3.096 179.116 176.094 -0.124 0.000 1.041 70 V CA 1.283 63.366 62.300 -0.363 0.000 1.025 70 V CB -0.747 30.779 31.823 -0.495 0.000 0.656 70 V HN 0.208 nan 8.190 nan 0.000 0.451 71 L N -0.128 121.056 121.223 -0.066 0.000 2.079 71 L HA -0.201 4.138 4.340 -0.002 0.000 0.210 71 L C 2.634 179.515 176.870 0.019 0.000 1.081 71 L CA 1.663 56.527 54.840 0.039 0.000 0.752 71 L CB -0.254 41.863 42.059 0.097 0.000 0.896 71 L HN 0.343 nan 8.230 nan 0.000 0.433 72 E N -0.264 119.948 120.200 0.020 0.000 2.107 72 E HA -0.211 4.138 4.350 -0.002 0.000 0.191 72 E C 1.882 178.500 176.600 0.030 0.000 0.982 72 E CA 0.847 57.270 56.400 0.039 0.000 0.809 72 E CB -0.202 29.532 29.700 0.057 0.000 0.756 72 E HN 0.307 nan 8.360 nan 0.000 0.459 73 L N 0.006 121.240 121.223 0.018 0.000 2.141 73 L HA -0.015 4.324 4.340 -0.002 0.000 0.209 73 L C 1.999 178.872 176.870 0.006 0.000 1.094 73 L CA 1.401 56.263 54.840 0.038 0.000 0.763 73 L CB -0.598 41.497 42.059 0.060 0.000 0.908 73 L HN 0.300 nan 8.230 nan 0.000 0.437 74 L N -0.807 120.353 121.223 -0.105 0.000 2.131 74 L HA -0.083 4.255 4.340 -0.002 0.000 0.206 74 L C 2.402 179.220 176.870 -0.088 0.000 1.087 74 L CA 1.481 56.178 54.840 -0.239 0.000 0.767 74 L CB -0.852 40.899 42.059 -0.513 0.000 0.917 74 L HN 0.318 nan 8.230 nan 0.000 0.441 75 Q N 0.188 119.998 119.800 0.017 0.000 2.308 75 Q HA -0.255 4.084 4.340 -0.002 0.000 0.209 75 Q C 1.943 178.052 176.000 0.182 0.000 0.985 75 Q CA 1.821 57.745 55.803 0.203 0.000 0.881 75 Q CB -0.191 28.629 28.738 0.137 0.000 0.917 75 Q HN 0.819 nan 8.270 nan 0.000 0.443 76 Q N -1.507 118.323 119.800 0.050 0.000 2.472 76 Q HA -0.120 4.218 4.340 -0.002 0.000 0.208 76 Q C 0.352 176.246 176.000 -0.177 0.000 0.958 76 Q CA 0.858 56.600 55.803 -0.103 0.000 0.932 76 Q CB -0.043 28.544 28.738 -0.251 0.000 1.007 76 Q HN 0.422 nan 8.270 nan 0.000 0.508 77 Y N 1.083 121.466 120.300 0.138 0.000 2.485 77 Y HA 0.272 4.821 4.550 -0.001 0.000 0.260 77 Y C 0.358 176.367 175.900 0.181 0.000 1.173 77 Y CA -0.595 57.594 58.100 0.148 0.000 1.252 77 Y CB 0.566 39.084 38.460 0.096 0.000 1.123 77 Y HN -0.028 nan 8.280 nan 0.000 0.524 78 K N 1.572 122.139 120.400 0.279 0.000 2.451 78 K HA 0.121 4.439 4.320 -0.002 0.000 0.280 78 K C 0.910 177.425 176.600 -0.141 0.000 1.020 78 K CA 0.372 56.554 56.287 -0.175 0.000 1.008 78 K CB 0.707 32.999 32.500 -0.347 0.000 0.917 78 K HN 0.194 nan 8.250 nan 0.000 0.478 79 V N 0.556 120.280 119.914 -0.317 0.000 3.548 79 V HA 0.461 4.580 4.120 -0.002 0.000 0.279 79 V C 0.537 176.572 176.094 -0.098 0.000 1.446 79 V CA 0.455 62.636 62.300 -0.198 0.000 1.023 79 V CB 0.185 31.742 31.823 -0.444 0.000 0.820 79 V HN 0.845 nan 8.190 nan 0.000 0.438 80 G N -0.465 108.169 108.800 -0.278 0.000 2.427 80 G HA2 0.594 4.553 3.960 -0.002 0.000 0.306 80 G HA3 0.594 4.553 3.960 -0.002 0.000 0.306 80 G C -2.021 172.688 174.900 -0.318 0.000 1.280 80 G CA -0.518 44.517 45.100 -0.107 0.000 0.837 80 G HN 0.200 nan 8.290 nan 0.000 0.482 81 E N -0.781 119.323 120.200 -0.159 0.000 2.343 81 E HA 0.511 4.859 4.350 -0.002 0.000 0.270 81 E C -0.736 175.819 176.600 -0.076 0.000 0.895 81 E CA -0.760 55.532 56.400 -0.180 0.000 0.767 81 E CB 2.894 32.496 29.700 -0.163 0.000 1.248 81 E HN 0.317 nan 8.360 nan 0.000 0.440 82 L N 2.189 123.367 121.223 -0.075 0.000 2.349 82 L HA 0.243 4.582 4.340 -0.002 0.000 0.275 82 L C 0.014 176.866 176.870 -0.030 0.000 1.115 82 L CA -0.139 54.687 54.840 -0.023 0.000 0.820 82 L CB 0.878 42.916 42.059 -0.034 0.000 1.135 82 L HN 0.560 nan 8.230 nan 0.000 0.445 83 S N 3.863 119.558 115.700 -0.009 0.000 2.489 83 S HA 0.618 5.087 4.470 -0.002 0.000 0.291 83 S C -2.311 172.280 174.600 -0.015 0.000 1.151 83 S CA -1.441 56.746 58.200 -0.021 0.000 1.082 83 S CB 1.450 64.635 63.200 -0.024 0.000 1.019 83 S HN 0.329 nan 8.310 nan 0.000 0.492 84 P HA 0.234 nan 4.420 nan 0.000 0.273 84 P C -0.120 177.169 177.300 -0.020 0.000 1.252 84 P CA 0.332 63.417 63.100 -0.025 0.000 0.809 84 P CB -0.148 31.535 31.700 -0.029 0.000 1.017 93 A N -0.394 122.416 122.820 -0.016 0.000 2.238 93 A HA 0.286 4.604 4.320 -0.002 0.000 0.208 93 A C 2.070 179.657 177.584 0.004 0.000 1.177 93 A CA 1.942 53.970 52.037 -0.014 0.000 0.804 93 A CB -0.699 18.293 19.000 -0.013 0.000 0.823 93 A HN 0.712 nan 8.150 nan 0.000 0.482 94 Q N -0.518 119.288 119.800 0.009 0.000 2.230 94 Q HA -0.023 4.316 4.340 -0.002 0.000 0.202 94 Q C 0.558 176.582 176.000 0.039 0.000 0.963 94 Q CA 1.490 57.305 55.803 0.021 0.000 0.866 94 Q CB -0.271 28.477 28.738 0.016 0.000 0.931 94 Q HN 0.587 nan 8.270 nan 0.000 0.452 95 D N -1.429 118.994 120.400 0.039 0.000 2.364 95 D HA 0.247 4.885 4.640 -0.002 0.000 0.251 95 D C -2.262 174.064 176.300 0.043 0.000 1.282 95 D CA -1.903 52.143 54.000 0.075 0.000 0.927 95 D CB 1.713 42.556 40.800 0.072 0.000 1.267 95 D HN 0.041 nan 8.370 nan 0.000 0.531 96 P HA -0.009 nan 4.420 nan 0.000 0.230 96 P C 0.759 177.844 177.300 -0.359 0.000 1.158 96 P CA 0.491 63.481 63.100 -0.184 0.000 0.769 96 P CB 0.011 31.548 31.700 -0.271 0.000 0.807 97 F N -0.678 119.262 119.950 -0.017 0.000 2.695 97 F HA 0.379 4.904 4.527 -0.002 0.000 0.303 97 F C 2.289 178.071 175.800 -0.030 0.000 1.091 97 F CA -0.064 57.923 58.000 -0.022 0.000 1.300 97 F CB -0.551 38.449 39.000 0.000 0.000 1.071 97 F HN -0.117 nan 8.300 nan 0.000 0.578 98 A N 0.226 123.100 122.820 0.089 0.000 2.019 98 A HA -0.062 4.256 4.320 -0.002 0.000 0.219 98 A C 2.439 180.029 177.584 0.011 0.000 1.164 98 A CA 1.721 53.786 52.037 0.047 0.000 0.644 98 A CB -1.172 17.842 19.000 0.023 0.000 0.805 98 A HN 0.379 nan 8.150 nan 0.000 0.449 99 G N -0.839 107.948 108.800 -0.021 0.000 2.985 99 G HA2 0.193 4.152 3.960 -0.002 0.000 0.209 99 G HA3 0.193 4.152 3.960 -0.002 0.000 0.209 99 G C -0.192 174.681 174.900 -0.046 0.000 1.165 99 G CA 0.025 45.099 45.100 -0.043 0.000 0.776 99 G HN 0.360 nan 8.290 nan 0.000 0.541 100 D N 1.418 121.809 120.400 -0.015 0.000 2.382 100 D HA 0.250 4.889 4.640 -0.002 0.000 0.240 100 D C -1.733 174.530 176.300 -0.061 0.000 1.146 100 D CA -1.066 52.920 54.000 -0.025 0.000 0.897 100 D CB 1.185 42.015 40.800 0.049 0.000 1.197 100 D HN 0.092 nan 8.370 nan 0.000 0.432 101 P HA 0.214 nan 4.420 nan 0.000 0.274 101 P C -2.609 174.603 177.300 -0.147 0.000 1.231 101 P CA -1.204 61.836 63.100 -0.101 0.000 0.790 101 P CB -0.125 31.521 31.700 -0.090 0.000 0.951 102 P HA 0.317 nan 4.420 nan 0.000 0.274 102 P C -0.443 176.767 177.300 -0.150 0.000 1.231 102 P CA -0.067 62.959 63.100 -0.124 0.000 0.790 102 P CB 0.742 32.397 31.700 -0.074 0.000 0.951 103 R N -0.157 120.247 120.500 -0.160 0.000 2.912 103 R HA 0.414 4.753 4.340 -0.002 0.000 0.262 103 R C 0.145 176.466 176.300 0.036 0.000 1.057 103 R CA -0.813 55.228 56.100 -0.098 0.000 0.981 103 R CB 0.378 30.529 30.300 -0.247 0.000 1.201 103 R HN 0.543 nan 8.270 nan 0.000 0.484 104 H N 3.435 122.540 119.070 0.058 0.000 2.803 104 H HA 0.072 4.627 4.556 -0.002 0.000 0.330 104 H C -1.483 173.929 175.328 0.140 0.000 1.057 104 H CA -1.496 54.613 56.048 0.102 0.000 1.458 104 H CB 1.366 31.194 29.762 0.111 0.000 1.470 104 H HN 0.342 nan 8.280 nan 0.000 0.560 105 P HA -0.063 nan 4.420 nan 0.000 0.225 105 P C 1.232 178.730 177.300 0.331 0.000 1.148 105 P CA 1.049 64.273 63.100 0.208 0.000 0.779 105 P CB 0.002 31.753 31.700 0.085 0.000 0.780 106 G N -0.377 108.784 108.800 0.602 0.000 2.598 106 G HA2 -0.018 3.941 3.960 -0.002 0.000 0.215 106 G HA3 -0.018 3.941 3.960 -0.002 0.000 0.215 106 G C 0.599 175.668 174.900 0.281 0.000 1.131 106 G CA -0.000 45.352 45.100 0.421 0.000 0.785 106 G HN 0.144 nan 8.290 nan 0.000 0.539 107 L N 0.892 122.285 121.223 0.285 0.000 2.467 107 L HA 0.288 4.627 4.340 -0.002 0.000 0.270 107 L C 0.434 177.418 176.870 0.190 0.000 1.205 107 L CA -0.285 54.698 54.840 0.238 0.000 0.828 107 L CB 0.696 42.941 42.059 0.310 0.000 1.101 107 L HN 0.072 nan 8.230 nan 0.000 0.479 108 R N 2.670 123.264 120.500 0.156 0.000 2.230 108 R HA 0.305 4.644 4.340 -0.002 0.000 0.337 108 R C -1.025 175.303 176.300 0.047 0.000 1.063 108 R CA -0.542 55.621 56.100 0.105 0.000 0.935 108 R CB 0.271 30.638 30.300 0.112 0.000 1.121 108 R HN 0.269 nan 8.270 nan 0.000 0.486 109 V N 4.146 124.057 119.914 -0.006 0.000 2.461 109 V HA 0.006 4.125 4.120 -0.002 0.000 0.275 109 V C 1.291 177.270 176.094 -0.191 0.000 1.047 109 V CA -0.364 61.845 62.300 -0.153 0.000 0.955 109 V CB 1.019 32.781 31.823 -0.101 0.000 0.988 109 V HN 0.731 nan 8.190 nan 0.000 0.471 110 N N 2.198 120.710 118.700 -0.313 0.000 2.322 110 N HA 0.081 4.820 4.740 -0.002 0.000 0.181 110 N C 0.269 175.594 175.510 -0.308 0.000 1.088 110 N CA 0.156 53.015 53.050 -0.319 0.000 0.885 110 N CB 0.732 38.941 38.487 -0.465 0.000 1.013 110 N HN 0.515 nan 8.380 nan 0.000 0.472 111 S N -1.050 114.441 115.700 -0.349 0.000 2.566 111 S HA 0.257 4.726 4.470 -0.002 0.000 0.273 111 S C -0.483 173.958 174.600 -0.265 0.000 1.157 111 S CA -0.612 57.425 58.200 -0.272 0.000 0.938 111 S CB 1.394 64.441 63.200 -0.255 0.000 1.087 111 S HN 0.083 nan 8.310 nan 0.000 0.474 112 Q N 2.273 121.977 119.800 -0.160 0.000 2.259 112 Q HA 0.275 4.614 4.340 -0.002 0.000 0.201 112 Q C -0.345 175.574 176.000 -0.135 0.000 0.938 112 Q CA 0.918 56.697 55.803 -0.041 0.000 0.872 112 Q CB 0.233 28.961 28.738 -0.017 0.000 0.971 112 Q HN 0.595 nan 8.270 nan 0.000 0.494 113 K N 1.603 121.791 120.400 -0.354 0.000 2.646 113 K HA 0.313 4.631 4.320 -0.002 0.000 0.210 113 K C -2.519 173.680 176.600 -0.669 0.000 1.020 113 K CA -1.249 54.498 56.287 -0.900 0.000 1.040 113 K CB 1.945 33.833 32.500 -1.020 0.000 1.253 113 K HN 0.005 nan 8.250 nan 0.000 0.532 114 P HA 0.141 nan 4.420 nan 0.000 0.281 114 P C -0.786 176.497 177.300 -0.029 0.000 1.249 114 P CA -0.554 62.479 63.100 -0.111 0.000 0.810 114 P CB 0.652 32.498 31.700 0.244 0.000 1.008 115 F N 2.772 122.706 119.950 -0.026 0.000 2.445 115 F HA 0.263 4.789 4.527 -0.002 0.000 0.359 115 F C 0.107 175.926 175.800 0.032 0.000 1.101 115 F CA 0.199 58.191 58.000 -0.013 0.000 1.177 115 F CB 0.115 39.135 39.000 0.032 0.000 1.110 115 F HN 0.173 nan 8.300 nan 0.000 0.522 116 N N 5.134 123.487 118.700 -0.579 0.000 2.371 116 N HA 0.709 5.448 4.740 -0.002 0.000 0.291 116 N C -1.544 173.670 175.510 -0.494 0.000 1.053 116 N CA -0.546 52.312 53.050 -0.319 0.000 0.870 116 N CB 1.966 40.293 38.487 -0.266 0.000 1.503 116 N HN 0.665 nan 8.380 nan 0.000 0.485 117 A N 1.470 124.256 122.820 -0.056 0.000 2.610 117 A HA 0.627 4.946 4.320 -0.002 0.000 0.291 117 A C -1.486 176.377 177.584 0.465 0.000 1.086 117 A CA -0.770 51.293 52.037 0.043 0.000 0.677 117 A CB 1.832 20.738 19.000 -0.158 0.000 1.278 117 A HN 0.667 nan 8.150 nan 0.000 0.414 118 E N 0.728 121.162 120.200 0.390 0.000 2.343 118 E HA 0.725 5.073 4.350 -0.002 0.000 0.270 118 E C -3.015 173.719 176.600 0.223 0.000 0.895 118 E CA -2.206 54.404 56.400 0.351 0.000 0.767 118 E CB 2.625 32.532 29.700 0.345 0.000 1.248 118 E HN 0.332 nan 8.360 nan 0.000 0.440 119 P HA 0.185 nan 4.420 nan 0.000 0.272 119 P C -2.487 174.887 177.300 0.123 0.000 1.230 119 P CA -1.474 61.699 63.100 0.123 0.000 0.788 119 P CB -0.617 31.123 31.700 0.067 0.000 0.949 120 P HA -0.024 nan 4.420 nan 0.000 0.262 120 P C 0.765 178.134 177.300 0.115 0.000 1.182 120 P CA 0.441 63.619 63.100 0.130 0.000 0.761 120 P CB 0.051 31.843 31.700 0.152 0.000 0.795 121 A N 4.512 127.398 122.820 0.110 0.000 1.978 121 A HA -0.232 4.087 4.320 -0.002 0.000 0.220 121 A C 1.908 179.546 177.584 0.090 0.000 1.170 121 A CA 1.773 53.873 52.037 0.104 0.000 0.636 121 A CB -1.029 18.038 19.000 0.112 0.000 0.810 121 A HN 0.704 nan 8.150 nan 0.000 0.448 122 E N 0.095 120.352 120.200 0.095 0.000 2.265 122 E HA -0.141 4.208 4.350 -0.002 0.000 0.196 122 E C 1.559 178.219 176.600 0.099 0.000 0.996 122 E CA 1.258 57.712 56.400 0.090 0.000 0.832 122 E CB -0.344 29.417 29.700 0.103 0.000 0.756 122 E HN 0.648 nan 8.360 nan 0.000 0.491 123 L N 0.315 121.605 121.223 0.111 0.000 2.416 123 L HA 0.094 4.433 4.340 -0.002 0.000 0.216 123 L C 2.465 179.359 176.870 0.039 0.000 1.098 123 L CA -0.118 54.783 54.840 0.102 0.000 0.840 123 L CB -0.186 41.954 42.059 0.135 0.000 0.981 123 L HN 0.099 nan 8.230 nan 0.000 0.462 124 L N 0.722 121.969 121.223 0.040 0.000 2.010 124 L HA -0.269 4.069 4.340 -0.002 0.000 0.219 124 L C 2.205 179.031 176.870 -0.074 0.000 1.077 124 L CA 1.815 56.674 54.840 0.033 0.000 0.773 124 L CB -0.360 41.734 42.059 0.058 0.000 0.892 124 L HN 0.327 nan 8.230 nan 0.000 0.436 125 A N -1.768 120.952 122.820 -0.167 0.000 2.462 125 A HA 0.066 4.385 4.320 -0.002 0.000 0.261 125 A C 1.409 178.878 177.584 -0.191 0.000 1.323 125 A CA -0.093 51.755 52.037 -0.316 0.000 0.913 125 A CB -0.124 18.635 19.000 -0.401 0.000 1.028 125 A HN 0.240 nan 8.150 nan 0.000 0.511 126 E N 0.290 120.423 120.200 -0.110 0.000 2.502 126 E HA 0.041 4.390 4.350 -0.002 0.000 0.194 126 E C 0.520 177.044 176.600 -0.127 0.000 1.062 126 E CA 0.395 56.721 56.400 -0.123 0.000 0.867 126 E CB 0.095 29.711 29.700 -0.140 0.000 0.888 126 E HN 0.605 nan 8.360 nan 0.000 0.510 127 R N -0.660 119.812 120.500 -0.046 0.000 2.579 127 R HA 0.046 4.385 4.340 -0.002 0.000 0.260 127 R C 0.042 176.451 176.300 0.181 0.000 1.103 127 R CA -0.404 55.716 56.100 0.033 0.000 0.942 127 R CB 0.266 30.559 30.300 -0.011 0.000 1.251 127 R HN -0.119 nan 8.270 nan 0.000 0.450 128 F N 3.901 123.908 119.950 0.095 0.000 2.095 128 F HA 0.022 4.548 4.527 -0.002 0.000 0.298 128 F C 0.148 176.142 175.800 0.324 0.000 1.104 128 F CA 1.433 59.586 58.000 0.255 0.000 1.232 128 F CB 0.238 39.338 39.000 0.166 0.000 0.987 128 F HN 0.318 nan 8.300 nan 0.000 0.475 129 L N 1.460 122.707 121.223 0.039 0.000 2.275 129 L HA 0.268 4.607 4.340 -0.002 0.000 0.288 129 L C 0.063 176.891 176.870 -0.070 0.000 1.046 129 L CA -0.663 54.090 54.840 -0.146 0.000 0.805 129 L CB 1.246 43.237 42.059 -0.113 0.000 1.193 129 L HN -0.162 nan 8.230 nan 0.000 0.426 130 T N 3.984 118.464 114.554 -0.123 0.000 2.779 130 T HA 0.202 4.551 4.350 -0.002 0.000 0.296 130 T C -2.292 172.373 174.700 -0.058 0.000 0.938 130 T CA -1.150 60.905 62.100 -0.075 0.000 1.119 130 T CB 0.577 69.334 68.868 -0.186 0.000 0.891 130 T HN 0.317 nan 8.240 nan 0.000 0.526 131 P HA 0.016 nan 4.420 nan 0.000 0.264 131 P C 0.731 177.996 177.300 -0.059 0.000 1.179 131 P CA -0.060 62.992 63.100 -0.080 0.000 0.763 131 P CB 0.468 32.102 31.700 -0.111 0.000 0.806 132 N N 2.103 120.748 118.700 -0.092 0.000 2.137 132 N HA -0.177 4.562 4.740 -0.002 0.000 0.190 132 N C 1.217 176.737 175.510 0.017 0.000 1.017 132 N CA 1.483 54.469 53.050 -0.106 0.000 0.859 132 N CB -0.383 38.025 38.487 -0.131 0.000 1.002 132 N HN 0.541 nan 8.380 nan 0.000 0.428 133 E N -0.012 120.195 120.200 0.012 0.000 2.204 133 E HA -0.006 4.342 4.350 -0.002 0.000 0.194 133 E C 1.503 178.135 176.600 0.054 0.000 0.989 133 E CA 0.616 57.048 56.400 0.054 0.000 0.824 133 E CB -0.042 29.677 29.700 0.031 0.000 0.756 133 E HN 0.373 nan 8.360 nan 0.000 0.477 134 L N -0.584 120.632 121.223 -0.011 0.000 2.590 134 L HA 0.202 4.541 4.340 -0.002 0.000 0.227 134 L C 0.340 177.277 176.870 0.112 0.000 1.099 134 L CA -0.604 54.233 54.840 -0.004 0.000 0.872 134 L CB 0.162 42.138 42.059 -0.139 0.000 1.088 134 L HN 0.069 nan 8.230 nan 0.000 0.479 135 F N 2.554 122.486 119.950 -0.030 0.000 2.602 135 F HA -0.003 4.523 4.527 -0.002 0.000 0.385 135 F C 0.747 176.614 175.800 0.111 0.000 1.063 135 F CA -1.261 56.708 58.000 -0.053 0.000 1.233 135 F CB 0.180 38.984 39.000 -0.325 0.000 1.067 135 F HN -0.028 nan 8.300 nan 0.000 0.564 136 F N 4.057 124.012 119.950 0.007 0.000 2.628 136 F HA 0.335 4.861 4.527 -0.002 0.000 0.362 136 F C -0.196 175.838 175.800 0.389 0.000 1.148 136 F CA -0.645 57.426 58.000 0.119 0.000 1.352 136 F CB -0.296 38.612 39.000 -0.154 0.000 1.081 136 F HN 0.377 nan 8.300 nan 0.000 0.605 137 T N 5.560 120.242 114.554 0.213 0.000 2.812 137 T HA 0.389 4.738 4.350 -0.002 0.000 0.282 137 T C -0.689 174.125 174.700 0.188 0.000 0.990 137 T CA -0.755 61.408 62.100 0.105 0.000 0.960 137 T CB 1.055 70.091 68.868 0.280 0.000 0.948 137 T HN 0.629 nan 8.240 nan 0.000 0.438 138 R N 3.474 124.003 120.500 0.049 0.000 2.422 138 R HA 0.367 4.706 4.340 -0.002 0.000 0.307 138 R C -1.399 174.942 176.300 0.067 0.000 1.004 138 R CA -0.617 55.591 56.100 0.179 0.000 0.882 138 R CB 0.476 30.931 30.300 0.258 0.000 1.164 138 R HN 0.522 nan 8.270 nan 0.000 0.489 139 N N 2.106 120.872 118.700 0.110 0.000 2.392 139 N HA 0.215 4.954 4.740 -0.002 0.000 0.283 139 N C 0.176 175.731 175.510 0.074 0.000 1.003 139 N CA -0.463 52.683 53.050 0.160 0.000 0.892 139 N CB 1.432 40.087 38.487 0.280 0.000 1.193 139 N HN 0.493 nan 8.380 nan 0.000 0.487 140 H N 0.491 119.573 119.070 0.020 0.000 2.525 140 H HA 0.339 4.894 4.556 -0.002 0.000 0.275 140 H C 0.111 175.536 175.328 0.161 0.000 0.984 140 H CA 0.814 56.898 56.048 0.060 0.000 1.264 140 H CB 0.577 30.266 29.762 -0.122 0.000 1.432 140 H HN 0.339 nan 8.280 nan 0.000 0.549 141 L N -1.062 120.311 121.223 0.249 0.000 2.301 141 L HA 0.435 4.774 4.340 -0.002 0.000 0.249 141 L C -2.406 174.520 176.870 0.094 0.000 1.069 141 L CA -2.616 52.334 54.840 0.183 0.000 0.865 141 L CB 1.897 43.997 42.059 0.067 0.000 1.467 141 L HN -0.195 nan 8.230 nan 0.000 0.419 142 P HA 0.070 nan 4.420 nan 0.000 0.269 142 P C -0.910 176.157 177.300 -0.388 0.000 1.209 142 P CA -0.219 62.603 63.100 -0.462 0.000 0.776 142 P CB 0.481 31.683 31.700 -0.829 0.000 0.876 143 V N 5.208 124.918 119.914 -0.339 0.000 2.488 143 V HA 0.163 4.282 4.120 -0.002 0.000 0.277 143 V C -1.874 173.875 176.094 -0.575 0.000 1.046 143 V CA -1.404 60.530 62.300 -0.610 0.000 0.986 143 V CB 0.222 31.887 31.823 -0.264 0.000 0.989 143 V HN 0.571 nan 8.190 nan 0.000 0.475 144 P HA 0.220 nan 4.420 nan 0.000 0.268 144 P C -0.573 176.587 177.300 -0.234 0.000 1.204 144 P CA 0.038 62.859 63.100 -0.465 0.000 0.768 144 P CB 0.533 31.959 31.700 -0.456 0.000 0.842 145 A N 3.641 126.392 122.820 -0.114 0.000 2.260 145 A HA 0.488 4.806 4.320 -0.002 0.000 0.312 145 A C -0.381 177.230 177.584 0.046 0.000 1.321 145 A CA -0.394 51.630 52.037 -0.021 0.000 0.928 145 A CB 0.089 19.069 19.000 -0.034 0.000 1.158 145 A HN 0.366 nan 8.150 nan 0.000 0.542 146 V N 2.715 122.715 119.914 0.144 0.000 2.448 146 V HA 0.334 4.453 4.120 -0.002 0.000 0.295 146 V C -0.090 176.139 176.094 0.225 0.000 1.025 146 V CA -0.627 61.786 62.300 0.188 0.000 0.859 146 V CB 1.601 33.550 31.823 0.210 0.000 0.988 146 V HN 0.968 nan 8.190 nan 0.000 0.431 147 E N 7.194 127.493 120.200 0.166 0.000 2.152 147 E HA 0.350 4.699 4.350 -0.002 0.000 0.285 147 E C -1.677 175.025 176.600 0.171 0.000 1.043 147 E CA -1.838 54.653 56.400 0.153 0.000 0.839 147 E CB 1.601 31.361 29.700 0.099 0.000 1.069 147 E HN 0.360 nan 8.360 nan 0.000 0.399 148 P HA -0.244 nan 4.420 nan 0.000 0.215 148 P C 1.176 178.547 177.300 0.119 0.000 1.157 148 P CA 1.631 64.813 63.100 0.136 0.000 0.874 148 P CB 0.008 31.822 31.700 0.188 0.000 0.790 149 S N 0.008 115.767 115.700 0.100 0.000 2.382 149 S HA -0.147 4.322 4.470 -0.002 0.000 0.228 149 S C 2.097 176.745 174.600 0.079 0.000 1.027 149 S CA 1.850 60.095 58.200 0.075 0.000 0.991 149 S CB -1.583 61.649 63.200 0.054 0.000 0.823 149 S HN 0.338 nan 8.310 nan 0.000 0.469 150 S N -0.393 115.360 115.700 0.089 0.000 2.548 150 S HA 0.155 4.623 4.470 -0.002 0.000 0.215 150 S C 0.429 175.075 174.600 0.077 0.000 0.976 150 S CA -0.702 57.538 58.200 0.067 0.000 0.908 150 S CB -0.876 62.356 63.200 0.053 0.000 0.781 150 S HN 0.609 nan 8.310 nan 0.000 0.519 151 Y N 3.742 124.045 120.300 0.005 0.000 2.712 151 Y HA 0.392 4.941 4.550 -0.002 0.000 0.333 151 Y C 0.167 176.066 175.900 -0.003 0.000 1.225 151 Y CA -0.145 57.952 58.100 -0.005 0.000 1.499 151 Y CB 0.391 38.826 38.460 -0.041 0.000 1.288 151 Y HN 0.088 nan 8.280 nan 0.000 0.575 152 R N 6.345 126.323 120.500 -0.869 0.000 2.628 152 R HA 0.398 4.737 4.340 -0.002 0.000 0.288 152 R C -1.951 173.832 176.300 -0.863 0.000 0.980 152 R CA -1.273 54.426 56.100 -0.668 0.000 0.891 152 R CB 1.835 31.973 30.300 -0.270 0.000 1.188 152 R HN 0.761 nan 8.270 nan 0.000 0.450 153 L N 2.849 123.776 121.223 -0.494 0.000 2.265 153 L HA 0.455 4.794 4.340 -0.002 0.000 0.289 153 L C 0.120 176.954 176.870 -0.058 0.000 1.033 153 L CA -0.257 54.462 54.840 -0.200 0.000 0.814 153 L CB 0.849 42.929 42.059 0.035 0.000 1.203 153 L HN 0.509 nan 8.230 nan 0.000 0.423 154 R N 4.381 124.866 120.500 -0.025 0.000 2.308 154 R HA 0.683 5.022 4.340 -0.002 0.000 0.305 154 R C -1.649 174.699 176.300 0.080 0.000 1.053 154 R CA -0.491 55.625 56.100 0.028 0.000 0.957 154 R CB 1.027 31.342 30.300 0.025 0.000 1.022 154 R HN 0.557 nan 8.270 nan 0.000 0.461 155 V N 4.556 124.535 119.914 0.109 0.000 2.531 155 V HA 0.384 4.503 4.120 -0.002 0.000 0.301 155 V C -0.974 175.235 176.094 0.192 0.000 1.034 155 V CA -0.636 61.760 62.300 0.160 0.000 0.865 155 V CB 1.670 33.606 31.823 0.188 0.000 0.995 155 V HN 1.070 nan 8.190 nan 0.000 0.424 156 D N 2.255 122.793 120.400 0.230 0.000 2.639 156 D HA 0.856 5.495 4.640 -0.002 0.000 0.271 156 D C -0.361 176.169 176.300 0.383 0.000 1.254 156 D CA -0.184 53.974 54.000 0.263 0.000 0.810 156 D CB 2.048 42.942 40.800 0.156 0.000 1.351 156 D HN 1.032 nan 8.370 nan 0.000 0.427 157 G N -0.933 108.124 108.800 0.429 0.000 2.347 157 G HA2 0.404 4.363 3.960 -0.002 0.000 0.303 157 G HA3 0.404 4.363 3.960 -0.002 0.000 0.303 157 G C -3.157 172.000 174.900 0.429 0.000 1.481 157 G CA -1.056 44.323 45.100 0.464 0.000 0.914 157 G HN 0.514 nan 8.290 nan 0.000 0.638 158 P HA 0.367 nan 4.420 nan 0.000 0.266 158 P C 1.060 178.465 177.300 0.175 0.000 1.215 158 P CA 1.681 64.921 63.100 0.233 0.000 0.763 158 P CB 0.812 32.667 31.700 0.259 0.000 0.806 159 G N 1.999 110.807 108.800 0.014 0.000 2.141 159 G HA2 -0.080 3.879 3.960 -0.002 0.000 0.242 159 G HA3 -0.080 3.879 3.960 -0.002 0.000 0.242 159 G C 0.319 175.002 174.900 -0.361 0.000 0.982 159 G CA -0.256 44.779 45.100 -0.108 0.000 0.662 159 G HN 0.925 nan 8.290 nan 0.000 0.527 160 G N -0.932 107.543 108.800 -0.542 0.000 2.519 160 G HA2 0.757 4.716 3.960 -0.002 0.000 0.307 160 G HA3 0.757 4.716 3.960 -0.002 0.000 0.307 160 G C 0.181 174.828 174.900 -0.422 0.000 1.266 160 G CA 0.151 44.645 45.100 -1.010 0.000 0.970 160 G HN 1.218 nan 8.290 nan 0.000 0.481 161 G N 0.380 108.985 108.800 -0.325 0.000 2.355 161 G HA2 0.441 4.400 3.960 -0.002 0.000 0.276 161 G HA3 0.441 4.400 3.960 -0.002 0.000 0.276 161 G C 0.385 175.247 174.900 -0.063 0.000 1.198 161 G CA -0.068 44.942 45.100 -0.150 0.000 0.876 161 G HN 0.573 nan 8.290 nan 0.000 0.478 162 T N 2.932 117.480 114.554 -0.010 0.000 2.908 162 T HA 0.163 4.512 4.350 -0.002 0.000 0.301 162 T C 0.603 175.337 174.700 0.056 0.000 1.019 162 T CA 0.551 62.678 62.100 0.045 0.000 1.152 162 T CB 0.169 69.062 68.868 0.043 0.000 0.966 162 T HN 0.235 nan 8.240 nan 0.000 0.540 163 L N 2.212 123.492 121.223 0.095 0.000 2.330 163 L HA 0.671 5.010 4.340 -0.002 0.000 0.271 163 L C 0.476 177.395 176.870 0.082 0.000 1.013 163 L CA -0.848 54.059 54.840 0.110 0.000 0.816 163 L CB 1.946 44.114 42.059 0.181 0.000 1.287 163 L HN 0.509 nan 8.230 nan 0.000 0.435 164 S N 2.370 118.112 115.700 0.069 0.000 2.389 164 S HA 0.529 4.998 4.470 -0.002 0.000 0.201 164 S C -0.795 173.824 174.600 0.032 0.000 1.422 164 S CA -0.528 57.688 58.200 0.028 0.000 1.216 164 S CB 0.019 63.225 63.200 0.009 0.000 1.130 164 S HN 0.412 nan 8.310 nan 0.000 0.465 165 L N 3.797 125.047 121.223 0.044 0.000 2.292 165 L HA 0.530 4.868 4.340 -0.002 0.000 0.284 165 L C 0.941 177.832 176.870 0.034 0.000 1.065 165 L CA -0.562 54.321 54.840 0.072 0.000 0.806 165 L CB 1.571 43.722 42.059 0.155 0.000 1.175 165 L HN 0.618 nan 8.230 nan 0.000 0.431 166 S N 1.927 117.657 115.700 0.049 0.000 2.655 166 S HA 0.232 4.701 4.470 -0.002 0.000 0.265 166 S C 0.821 175.498 174.600 0.128 0.000 1.240 166 S CA -0.739 57.504 58.200 0.072 0.000 0.986 166 S CB 1.179 64.406 63.200 0.045 0.000 0.985 166 S HN 0.531 nan 8.310 nan 0.000 0.562 167 L N 1.254 122.570 121.223 0.155 0.000 2.017 167 L HA 0.051 4.390 4.340 -0.002 0.000 0.208 167 L C 2.714 179.548 176.870 -0.060 0.000 1.073 167 L CA 2.378 57.239 54.840 0.035 0.000 0.745 167 L CB -1.780 40.253 42.059 -0.043 0.000 0.894 167 L HN 0.947 nan 8.230 nan 0.000 0.432 168 A N -0.931 121.867 122.820 -0.036 0.000 1.908 168 A HA -0.260 4.059 4.320 -0.002 0.000 0.218 168 A C 2.182 179.732 177.584 -0.056 0.000 1.181 168 A CA 1.991 53.992 52.037 -0.060 0.000 0.627 168 A CB -0.639 18.340 19.000 -0.034 0.000 0.818 168 A HN 0.604 nan 8.150 nan 0.000 0.445 169 E N -0.996 119.194 120.200 -0.018 0.000 2.150 169 E HA -0.134 4.215 4.350 -0.002 0.000 0.193 169 E C 1.869 178.487 176.600 0.029 0.000 0.985 169 E CA 0.955 57.343 56.400 -0.021 0.000 0.814 169 E CB -0.182 29.524 29.700 0.010 0.000 0.752 169 E HN 0.498 nan 8.360 nan 0.000 0.466 170 L N 1.055 122.341 121.223 0.106 0.000 2.141 170 L HA -0.125 4.214 4.340 -0.002 0.000 0.209 170 L C 2.058 179.044 176.870 0.193 0.000 1.094 170 L CA 1.569 56.564 54.840 0.258 0.000 0.763 170 L CB -0.015 42.153 42.059 0.181 0.000 0.908 170 L HN -0.075 nan 8.230 nan 0.000 0.437 171 R N -1.243 119.200 120.500 -0.094 0.000 2.093 171 R HA -0.043 4.296 4.340 -0.002 0.000 0.224 171 R C 2.331 178.612 176.300 -0.031 0.000 1.101 171 R CA 1.378 57.374 56.100 -0.173 0.000 0.979 171 R CB -0.285 29.812 30.300 -0.338 0.000 0.877 171 R HN 0.582 nan 8.270 nan 0.000 0.441 172 S N 0.003 115.658 115.700 -0.075 0.000 2.456 172 S HA 0.055 4.524 4.470 -0.002 0.000 0.224 172 S C 1.878 176.355 174.600 -0.204 0.000 1.035 172 S CA -0.087 58.050 58.200 -0.104 0.000 0.940 172 S CB 0.128 63.268 63.200 -0.100 0.000 0.799 172 S HN 0.150 nan 8.310 nan 0.000 0.508 173 R N -0.126 120.129 120.500 -0.410 0.000 2.189 173 R HA 0.226 4.565 4.340 -0.002 0.000 0.218 173 R C -0.688 175.060 176.300 -0.921 0.000 1.074 173 R CA 0.642 56.253 56.100 -0.816 0.000 0.991 173 R CB -0.042 29.404 30.300 -1.424 0.000 0.883 173 R HN 0.418 nan 8.270 nan 0.000 0.457 174 F N 0.937 120.865 119.950 -0.037 0.000 2.507 174 F HA 0.355 4.881 4.527 -0.002 0.000 0.325 174 F C -2.047 173.782 175.800 0.050 0.000 1.116 174 F CA -3.723 54.285 58.000 0.014 0.000 0.930 174 F CB 1.004 40.026 39.000 0.038 0.000 1.146 174 F HN -0.232 nan 8.300 nan 0.000 0.447 175 P HA 0.028 nan 4.420 nan 0.000 0.267 175 P C -0.534 176.777 177.300 0.018 0.000 1.209 175 P CA -0.324 62.821 63.100 0.076 0.000 0.763 175 P CB 0.662 32.402 31.700 0.067 0.000 0.816 176 K N 3.292 123.668 120.400 -0.040 0.000 2.350 176 K HA 0.119 4.438 4.320 -0.002 0.000 0.279 176 K C -0.595 175.810 176.600 -0.325 0.000 1.027 176 K CA -0.175 56.084 56.287 -0.047 0.000 0.969 176 K CB 0.132 32.667 32.500 0.059 0.000 0.954 176 K HN 0.536 nan 8.250 nan 0.000 0.474 177 H N 1.751 120.828 119.070 0.011 0.000 2.572 177 H HA 0.278 4.833 4.556 -0.002 0.000 0.359 177 H C -0.958 174.358 175.328 -0.021 0.000 1.134 177 H CA -0.710 55.339 56.048 0.003 0.000 1.187 177 H CB 1.676 31.440 29.762 0.002 0.000 1.597 177 H HN 0.534 nan 8.280 nan 0.000 0.524 178 E N 1.956 122.224 120.200 0.114 0.000 2.187 178 E HA 0.477 4.825 4.350 -0.002 0.000 0.268 178 E C -1.108 175.562 176.600 0.115 0.000 0.896 178 E CA -0.825 55.619 56.400 0.072 0.000 0.766 178 E CB 2.613 32.338 29.700 0.040 0.000 1.142 178 E HN 0.160 nan 8.360 nan 0.000 0.408 179 V N 2.525 122.511 119.914 0.120 0.000 2.577 179 V HA 0.252 4.370 4.120 -0.002 0.000 0.303 179 V C -0.228 175.992 176.094 0.210 0.000 1.042 179 V CA -0.786 61.614 62.300 0.167 0.000 0.872 179 V CB 2.088 33.964 31.823 0.088 0.000 0.998 179 V HN 0.676 nan 8.190 nan 0.000 0.423 180 T N 4.750 119.441 114.554 0.228 0.000 2.728 180 T HA 0.703 5.052 4.350 -0.002 0.000 0.296 180 T C 0.054 174.911 174.700 0.262 0.000 0.940 180 T CA -0.033 62.169 62.100 0.169 0.000 1.013 180 T CB 0.984 69.955 68.868 0.172 0.000 0.912 180 T HN 0.992 nan 8.240 nan 0.000 0.484 181 A N 3.185 126.162 122.820 0.261 0.000 2.486 181 A HA 0.714 5.033 4.320 -0.002 0.000 0.300 181 A C 0.005 177.671 177.584 0.136 0.000 1.048 181 A CA -0.842 51.361 52.037 0.277 0.000 0.696 181 A CB 1.386 20.498 19.000 0.186 0.000 1.278 181 A HN 0.594 nan 8.150 nan 0.000 0.405 182 T N 2.666 117.208 114.554 -0.020 0.000 2.806 182 T HA 0.505 4.853 4.350 -0.002 0.000 0.290 182 T C -0.178 174.287 174.700 -0.391 0.000 0.966 182 T CA 0.098 61.936 62.100 -0.435 0.000 1.060 182 T CB 0.097 68.465 68.868 -0.833 0.000 0.927 182 T HN 0.418 nan 8.240 nan 0.000 0.485 183 L N 3.657 124.717 121.223 -0.271 0.000 2.295 183 L HA 0.509 4.848 4.340 -0.002 0.000 0.285 183 L C 0.218 176.891 176.870 -0.329 0.000 1.035 183 L CA -0.573 54.167 54.840 -0.167 0.000 0.806 183 L CB 1.457 43.598 42.059 0.137 0.000 1.214 183 L HN 0.534 nan 8.230 nan 0.000 0.426 184 Q N 2.862 122.399 119.800 -0.438 0.000 2.321 184 Q HA 0.270 4.609 4.340 -0.002 0.000 0.270 184 Q C -1.068 174.738 176.000 -0.324 0.000 1.032 184 Q CA -0.600 54.879 55.803 -0.540 0.000 0.784 184 Q CB 2.400 30.752 28.738 -0.644 0.000 1.264 184 Q HN 0.779 nan 8.270 nan 0.000 0.448 185 C N 2.793 121.831 119.300 -0.436 0.000 2.652 185 C HA 0.451 4.910 4.460 -0.002 0.000 0.412 185 C C 1.874 176.764 174.990 -0.167 0.000 1.294 185 C CA 0.511 59.380 59.018 -0.247 0.000 2.127 185 C CB -0.061 27.424 27.740 -0.426 0.000 2.691 185 C HN 1.019 nan 8.230 nan 0.000 0.615 186 A N 3.512 126.326 122.820 -0.010 0.000 2.019 186 A HA 0.068 4.387 4.320 -0.002 0.000 0.219 186 A C 1.976 179.638 177.584 0.131 0.000 1.164 186 A CA 1.908 54.008 52.037 0.106 0.000 0.644 186 A CB -0.802 18.364 19.000 0.278 0.000 0.805 186 A HN 1.359 nan 8.150 nan 0.000 0.449 187 G N -0.656 108.226 108.800 0.136 0.000 3.141 187 G HA2 0.082 4.041 3.960 -0.002 0.000 0.218 187 G HA3 0.082 4.041 3.960 -0.002 0.000 0.218 187 G C 0.465 175.407 174.900 0.070 0.000 1.170 187 G CA 0.027 45.260 45.100 0.221 0.000 0.769 187 G HN 0.478 nan 8.290 nan 0.000 0.546 188 N N 1.214 119.804 118.700 -0.183 0.000 2.356 188 N HA -0.035 4.704 4.740 -0.002 0.000 0.252 188 N C 1.063 176.576 175.510 0.003 0.000 1.241 188 N CA 0.265 53.183 53.050 -0.220 0.000 0.861 188 N CB 0.008 38.322 38.487 -0.288 0.000 1.075 188 N HN 0.330 nan 8.380 nan 0.000 0.461 189 R N 0.181 120.718 120.500 0.062 0.000 3.770 189 R HA -0.267 4.072 4.340 -0.002 0.000 0.305 189 R C 1.156 177.539 176.300 0.139 0.000 1.184 189 R CA 1.008 57.167 56.100 0.097 0.000 0.823 189 R CB -1.537 28.801 30.300 0.064 0.000 1.285 189 R HN 0.696 nan 8.270 nan 0.000 0.499 190 R N 0.803 121.419 120.500 0.193 0.000 2.120 190 R HA -0.096 4.243 4.340 -0.002 0.000 0.234 190 R C 1.527 177.922 176.300 0.159 0.000 1.123 190 R CA 2.033 58.242 56.100 0.180 0.000 0.975 190 R CB -0.109 30.331 30.300 0.234 0.000 0.866 190 R HN 0.253 nan 8.270 nan 0.000 0.446 191 S N 0.751 116.548 115.700 0.162 0.000 2.402 191 S HA -0.174 4.295 4.470 -0.002 0.000 0.233 191 S C 1.434 176.124 174.600 0.149 0.000 1.030 191 S CA 1.687 59.973 58.200 0.143 0.000 1.003 191 S CB -0.157 63.124 63.200 0.134 0.000 0.813 191 S HN 0.501 nan 8.310 nan 0.000 0.477 192 E N 0.407 120.700 120.200 0.155 0.000 2.204 192 E HA -0.019 4.330 4.350 -0.002 0.000 0.194 192 E C 2.031 178.740 176.600 0.182 0.000 0.989 192 E CA 0.750 57.247 56.400 0.163 0.000 0.824 192 E CB -0.079 29.721 29.700 0.168 0.000 0.756 192 E HN 0.441 nan 8.360 nan 0.000 0.477 193 M N 0.137 119.850 119.600 0.187 0.000 2.156 193 M HA -0.081 4.398 4.480 -0.002 0.000 0.264 193 M C 2.330 178.835 176.300 0.341 0.000 1.067 193 M CA 1.055 56.505 55.300 0.252 0.000 1.131 193 M CB -0.377 32.282 32.600 0.099 0.000 1.368 193 M HN -0.001 nan 8.290 nan 0.000 0.416 194 S N 0.068 115.914 115.700 0.243 0.000 2.400 194 S HA -0.100 4.369 4.470 -0.002 0.000 0.232 194 S C 1.944 176.665 174.600 0.203 0.000 1.025 194 S CA 0.880 59.222 58.200 0.236 0.000 0.993 194 S CB -0.295 63.003 63.200 0.163 0.000 0.808 194 S HN 0.323 nan 8.310 nan 0.000 0.478 195 R N 1.022 121.624 120.500 0.170 0.000 2.091 195 R HA -0.067 4.272 4.340 -0.002 0.000 0.238 195 R C 2.156 178.520 176.300 0.106 0.000 1.136 195 R CA 1.203 57.379 56.100 0.126 0.000 0.959 195 R CB -1.064 29.306 30.300 0.118 0.000 0.856 195 R HN 0.360 nan 8.270 nan 0.000 0.437 196 V N -0.105 119.885 119.914 0.128 0.000 2.283 196 V HA -0.068 4.051 4.120 -0.002 0.000 0.243 196 V C 1.226 177.293 176.094 -0.046 0.000 1.039 196 V CA 1.357 63.680 62.300 0.038 0.000 1.016 196 V CB -0.279 31.573 31.823 0.049 0.000 0.650 196 V HN 0.276 nan 8.190 nan 0.000 0.449 197 R N -0.449 120.086 120.500 0.059 0.000 2.579 197 R HA 0.291 4.630 4.340 -0.002 0.000 0.260 197 R C -3.167 173.376 176.300 0.405 0.000 1.103 197 R CA -1.581 54.545 56.100 0.044 0.000 0.942 197 R CB 2.193 32.222 30.300 -0.451 0.000 1.251 197 R HN 0.036 nan 8.270 nan 0.000 0.450 198 P HA -0.055 nan 4.420 nan 0.000 0.264 198 P C -0.708 176.860 177.300 0.448 0.000 1.183 198 P CA -0.092 63.196 63.100 0.312 0.000 0.763 198 P CB 0.620 32.447 31.700 0.213 0.000 0.807 199 V N 0.101 120.211 119.914 0.327 0.000 3.126 199 V HA 0.574 4.693 4.120 -0.002 0.000 0.314 199 V C -0.392 175.852 176.094 0.250 0.000 1.138 199 V CA -1.255 61.205 62.300 0.267 0.000 1.034 199 V CB 2.206 34.068 31.823 0.065 0.000 1.075 199 V HN 0.296 nan 8.190 nan 0.000 0.442 200 K N 0.901 121.495 120.400 0.323 0.000 2.253 200 K HA 0.706 5.025 4.320 -0.002 0.000 0.277 200 K C -0.136 176.581 176.600 0.194 0.000 1.053 200 K CA 0.607 57.050 56.287 0.260 0.000 0.892 200 K CB 0.629 33.341 32.500 0.352 0.000 1.102 200 K HN 1.616 nan 8.250 nan 0.000 0.469 201 G N 2.826 111.700 108.800 0.123 0.000 2.350 201 G HA2 0.071 4.030 3.960 -0.002 0.000 0.305 201 G HA3 0.071 4.030 3.960 -0.002 0.000 0.305 201 G C -1.325 173.587 174.900 0.019 0.000 1.479 201 G CA -1.113 44.053 45.100 0.111 0.000 0.949 201 G HN 0.525 nan 8.290 nan 0.000 0.651 202 L N 1.346 122.531 121.223 -0.062 0.000 2.514 202 L HA 0.252 4.591 4.340 -0.002 0.000 0.280 202 L C -1.379 175.282 176.870 -0.348 0.000 1.223 202 L CA -1.106 53.532 54.840 -0.338 0.000 0.864 202 L CB 0.711 42.349 42.059 -0.700 0.000 1.118 202 L HN 0.345 nan 8.230 nan 0.000 0.494 203 P HA 0.037 nan 4.420 nan 0.000 0.214 203 P C -0.913 176.329 177.300 -0.097 0.000 1.826 203 P CA -0.348 62.669 63.100 -0.137 0.000 0.977 203 P CB -0.323 31.325 31.700 -0.087 0.000 1.930 204 W N 1.114 122.430 121.300 0.027 0.000 2.170 204 W HA 0.103 4.762 4.660 -0.002 0.000 0.336 204 W C 1.273 177.804 176.519 0.019 0.000 1.283 204 W CA -0.268 57.084 57.345 0.011 0.000 1.224 204 W CB 0.399 29.855 29.460 -0.006 0.000 1.132 204 W HN 0.200 nan 8.180 nan 0.000 0.571 205 D N 1.341 121.919 120.400 0.296 0.000 2.311 205 D HA 0.089 4.728 4.640 -0.002 0.000 0.284 205 D C 1.164 177.541 176.300 0.129 0.000 1.182 205 D CA -0.106 54.002 54.000 0.180 0.000 1.111 205 D CB 0.210 41.100 40.800 0.150 0.000 1.176 205 D HN 0.353 nan 8.370 nan 0.000 0.539 206 I N -2.337 118.279 120.570 0.076 0.000 3.875 206 I HA 0.462 4.631 4.170 -0.002 0.000 0.329 206 I C 1.049 177.202 176.117 0.060 0.000 1.295 206 I CA -0.150 61.175 61.300 0.042 0.000 1.129 206 I CB 0.218 38.196 38.000 -0.037 0.000 1.008 206 I HN 0.175 nan 8.210 nan 0.000 0.413 207 G N 1.215 110.019 108.800 0.005 0.000 3.605 207 G HA2 0.488 4.446 3.960 -0.002 0.000 0.277 207 G HA3 0.488 4.446 3.960 -0.002 0.000 0.277 207 G C 0.729 175.394 174.900 -0.390 0.000 1.093 207 G CA 0.211 45.251 45.100 -0.100 0.000 0.821 207 G HN 0.449 nan 8.290 nan 0.000 0.532 208 A N 0.914 123.319 122.820 -0.692 0.000 3.135 208 A HA 0.680 4.999 4.320 -0.002 0.000 0.253 208 A C -0.171 176.298 177.584 -1.857 0.000 1.638 208 A CA -0.228 50.860 52.037 -1.581 0.000 1.295 208 A CB -0.549 17.312 19.000 -1.898 0.000 1.106 208 A HN 0.522 nan 8.150 nan 0.000 0.648 209 I N -0.801 118.863 120.570 -1.510 0.000 2.753 209 I HA 0.464 4.633 4.170 -0.002 0.000 0.291 209 I C -1.250 174.367 176.117 -0.832 0.000 1.425 209 I CA 0.094 60.738 61.300 -1.093 0.000 1.039 209 I CB 1.908 39.418 38.000 -0.817 0.000 1.349 209 I HN 0.169 nan 8.210 nan 0.000 0.430 210 S N 3.029 118.170 115.700 -0.932 0.000 2.588 210 S HA 0.691 5.160 4.470 -0.002 0.000 0.269 210 S C -1.321 172.473 174.600 -1.343 0.000 1.157 210 S CA -0.581 56.831 58.200 -1.314 0.000 0.824 210 S CB 2.402 64.460 63.200 -1.904 0.000 1.126 210 S HN 0.645 nan 8.310 nan 0.000 0.464 211 T N 1.410 115.263 114.554 -1.168 0.000 2.893 211 T HA 0.865 5.214 4.350 -0.002 0.000 0.293 211 T C -0.871 173.606 174.700 -0.371 0.000 1.027 211 T CA -0.472 61.150 62.100 -0.797 0.000 0.988 211 T CB 1.692 69.690 68.868 -1.451 0.000 1.043 211 T HN 0.911 nan 8.240 nan 0.000 0.461 212 A N 2.169 124.777 122.820 -0.354 0.000 2.594 212 A HA 0.845 5.164 4.320 -0.002 0.000 0.291 212 A C -0.992 176.131 177.584 -0.768 0.000 1.105 212 A CA -0.986 50.635 52.037 -0.693 0.000 0.694 212 A CB 1.489 19.664 19.000 -1.376 0.000 1.291 212 A HN 0.747 nan 8.150 nan 0.000 0.410 213 R N 0.738 120.851 120.500 -0.645 0.000 2.196 213 R HA 0.420 4.759 4.340 -0.002 0.000 0.340 213 R C -1.587 174.407 176.300 -0.509 0.000 1.043 213 R CA -0.154 55.711 56.100 -0.391 0.000 0.883 213 R CB 0.337 30.526 30.300 -0.185 0.000 1.078 213 R HN 0.646 nan 8.270 nan 0.000 0.462 214 W N 2.584 123.798 121.300 -0.143 0.000 2.381 214 W HA 0.540 5.199 4.660 -0.002 0.000 0.329 214 W C 0.566 176.973 176.519 -0.188 0.000 1.157 214 W CA -0.619 56.608 57.345 -0.197 0.000 1.240 214 W CB 1.777 31.096 29.460 -0.235 0.000 1.199 214 W HN 0.645 nan 8.180 nan 0.000 0.579 215 G N 0.633 109.418 108.800 -0.025 0.000 2.590 215 G HA2 0.707 4.666 3.960 -0.002 0.000 0.310 215 G HA3 0.707 4.666 3.960 -0.002 0.000 0.310 215 G C -0.752 173.839 174.900 -0.514 0.000 1.347 215 G CA -0.305 44.693 45.100 -0.169 0.000 0.963 215 G HN 0.841 nan 8.290 nan 0.000 0.494 216 G N -0.412 108.066 108.800 -0.537 0.000 2.427 216 G HA2 0.714 4.673 3.960 -0.002 0.000 0.306 216 G HA3 0.714 4.673 3.960 -0.002 0.000 0.306 216 G C -0.868 173.875 174.900 -0.261 0.000 1.280 216 G CA 0.185 44.743 45.100 -0.904 0.000 0.837 216 G HN 1.457 nan 8.290 nan 0.000 0.482 217 A N -0.190 122.582 122.820 -0.081 0.000 2.316 217 A HA 0.735 5.054 4.320 -0.002 0.000 0.284 217 A C 0.567 178.110 177.584 -0.068 0.000 1.115 217 A CA -0.334 51.733 52.037 0.050 0.000 0.812 217 A CB 0.355 19.368 19.000 0.022 0.000 1.064 217 A HN 0.617 nan 8.150 nan 0.000 0.489 218 R N 1.615 122.097 120.500 -0.031 0.000 2.491 218 R HA 0.129 4.468 4.340 -0.002 0.000 0.283 218 R C 1.044 177.236 176.300 -0.180 0.000 1.072 218 R CA -0.403 55.624 56.100 -0.121 0.000 1.048 218 R CB 0.536 30.748 30.300 -0.146 0.000 0.983 218 R HN 0.827 nan 8.270 nan 0.000 0.450 219 L N 3.331 124.446 121.223 -0.180 0.000 2.042 219 L HA -0.261 4.078 4.340 -0.002 0.000 0.210 219 L C 2.659 179.442 176.870 -0.145 0.000 1.076 219 L CA 1.759 56.501 54.840 -0.164 0.000 0.749 219 L CB -0.275 41.709 42.059 -0.125 0.000 0.893 219 L HN 0.698 nan 8.230 nan 0.000 0.432 220 R N -0.058 120.361 120.500 -0.134 0.000 2.096 220 R HA -0.241 4.098 4.340 -0.002 0.000 0.240 220 R C 1.784 178.054 176.300 -0.050 0.000 1.139 220 R CA 2.346 58.384 56.100 -0.103 0.000 0.952 220 R CB -0.251 29.992 30.300 -0.096 0.000 0.854 220 R HN 0.407 nan 8.270 nan 0.000 0.436 221 D N -0.292 120.075 120.400 -0.055 0.000 2.144 221 D HA -0.104 4.535 4.640 -0.002 0.000 0.200 221 D C 1.971 178.274 176.300 0.004 0.000 0.978 221 D CA 1.186 55.208 54.000 0.036 0.000 0.833 221 D CB -0.092 40.773 40.800 0.109 0.000 0.961 221 D HN 0.132 nan 8.370 nan 0.000 0.470 222 V N 0.994 120.728 119.914 -0.300 0.000 2.358 222 V HA -0.186 3.933 4.120 -0.002 0.000 0.246 222 V C 2.612 178.753 176.094 0.078 0.000 1.047 222 V CA 1.065 63.159 62.300 -0.344 0.000 1.035 222 V CB -0.421 31.104 31.823 -0.497 0.000 0.658 222 V HN 0.183 nan 8.190 nan 0.000 0.452 223 L N -0.850 120.418 121.223 0.075 0.000 2.056 223 L HA -0.136 4.203 4.340 -0.002 0.000 0.207 223 L C 2.418 179.471 176.870 0.307 0.000 1.078 223 L CA 1.384 56.366 54.840 0.237 0.000 0.749 223 L CB -0.484 41.612 42.059 0.061 0.000 0.901 223 L HN 0.283 nan 8.230 nan 0.000 0.433 224 L N -0.947 120.392 121.223 0.193 0.000 2.046 224 L HA -0.270 4.069 4.340 -0.002 0.000 0.208 224 L C 2.676 179.659 176.870 0.188 0.000 1.077 224 L CA 1.310 56.255 54.840 0.176 0.000 0.747 224 L CB -0.712 41.429 42.059 0.136 0.000 0.896 224 L HN 0.311 nan 8.230 nan 0.000 0.432 225 H N 0.244 119.416 119.070 0.171 0.000 2.390 225 H HA -0.182 4.372 4.556 -0.002 0.000 0.298 225 H C 2.004 177.404 175.328 0.120 0.000 1.106 225 H CA 1.569 57.735 56.048 0.196 0.000 1.297 225 H CB 0.099 30.109 29.762 0.414 0.000 1.375 225 H HN 0.316 nan 8.280 nan 0.000 0.509 226 A N -0.976 121.913 122.820 0.114 0.000 2.209 226 A HA 0.253 4.571 4.320 -0.002 0.000 0.212 226 A C 2.058 179.490 177.584 -0.252 0.000 1.158 226 A CA 1.021 53.026 52.037 -0.053 0.000 0.742 226 A CB -0.718 18.334 19.000 0.086 0.000 0.790 226 A HN 0.836 nan 8.150 nan 0.000 0.472 227 G N -2.350 106.347 108.800 -0.171 0.000 2.176 227 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.232 227 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.232 227 G C -0.024 174.753 174.900 -0.205 0.000 0.986 227 G CA -0.051 44.928 45.100 -0.201 0.000 0.643 227 G HN 0.283 nan 8.290 nan 0.000 0.522 228 F N 2.583 122.550 119.950 0.029 0.000 2.471 228 F HA 0.458 4.984 4.527 -0.002 0.000 0.353 228 F C -0.743 175.091 175.800 0.056 0.000 1.113 228 F CA -1.619 56.410 58.000 0.049 0.000 1.262 228 F CB 0.485 39.563 39.000 0.131 0.000 1.146 228 F HN -0.058 nan 8.300 nan 0.000 0.578 229 P HA 0.146 nan 4.420 nan 0.000 0.276 229 P C -0.017 177.404 177.300 0.202 0.000 1.252 229 P CA -0.307 62.873 63.100 0.134 0.000 0.802 229 P CB 0.821 32.537 31.700 0.027 0.000 1.035 230 E N -0.621 119.653 120.200 0.124 0.000 2.204 230 E HA -0.112 4.237 4.350 -0.002 0.000 0.194 230 E C 0.491 177.195 176.600 0.173 0.000 0.989 230 E CA 1.115 57.584 56.400 0.114 0.000 0.824 230 E CB 0.297 30.034 29.700 0.061 0.000 0.756 230 E HN 0.511 nan 8.360 nan 0.000 0.477 231 E N -0.174 120.107 120.200 0.135 0.000 2.356 231 E HA 0.396 4.745 4.350 -0.002 0.000 0.275 231 E C -1.626 174.915 176.600 -0.098 0.000 0.904 231 E CA -0.433 56.020 56.400 0.088 0.000 0.757 231 E CB 1.449 31.174 29.700 0.041 0.000 1.232 231 E HN -0.072 nan 8.360 nan 0.000 0.442 232 L N 2.766 123.838 121.223 -0.252 0.000 2.365 232 L HA 0.397 4.736 4.340 -0.002 0.000 0.273 232 L C -0.526 176.231 176.870 -0.189 0.000 1.000 232 L CA -1.210 53.338 54.840 -0.486 0.000 0.819 232 L CB 1.896 43.195 42.059 -1.267 0.000 1.284 232 L HN 0.461 nan 8.230 nan 0.000 0.418 233 Q N 1.818 121.560 119.800 -0.097 0.000 2.311 233 Q HA 0.496 4.834 4.340 -0.002 0.000 0.272 233 Q C 0.516 176.631 176.000 0.191 0.000 1.012 233 Q CA 1.224 57.054 55.803 0.045 0.000 0.891 233 Q CB 0.927 29.692 28.738 0.045 0.000 1.201 233 Q HN 0.815 nan 8.270 nan 0.000 0.391 234 G N 2.791 111.676 108.800 0.142 0.000 2.660 234 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.215 234 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.215 234 G C -1.090 173.907 174.900 0.160 0.000 1.345 234 G CA -0.688 44.494 45.100 0.138 0.000 0.877 234 G HN 0.582 nan 8.290 nan 0.000 0.549 235 E N -0.094 120.133 120.200 0.045 0.000 2.014 235 E HA 0.436 4.785 4.350 -0.002 0.000 0.275 235 E C -0.723 175.770 176.600 -0.179 0.000 0.997 235 E CA -0.232 56.148 56.400 -0.033 0.000 0.804 235 E CB 0.742 30.424 29.700 -0.029 0.000 1.090 235 E HN 0.386 nan 8.360 nan 0.000 0.401 236 W N 1.511 122.641 121.300 -0.283 0.000 2.576 236 W HA 0.348 5.007 4.660 -0.002 0.000 0.360 236 W C 0.609 176.862 176.519 -0.444 0.000 1.109 236 W CA -0.273 56.910 57.345 -0.270 0.000 1.237 236 W CB 1.081 30.317 29.460 -0.373 0.000 1.369 236 W HN 0.427 nan 8.180 nan 0.000 0.609 237 H N -0.117 119.080 119.070 0.212 0.000 2.928 237 H HA 0.575 5.130 4.556 -0.002 0.000 0.371 237 H C -1.295 174.067 175.328 0.058 0.000 1.186 237 H CA -0.887 55.217 56.048 0.092 0.000 1.134 237 H CB 1.911 31.649 29.762 -0.040 0.000 1.824 237 H HN 0.005 nan 8.280 nan 0.000 0.554 238 V N 2.027 121.937 119.914 -0.007 0.000 2.378 238 V HA 0.174 4.293 4.120 -0.002 0.000 0.288 238 V C 0.021 175.747 176.094 -0.613 0.000 1.016 238 V CA -0.511 61.642 62.300 -0.246 0.000 0.840 238 V CB 0.836 32.493 31.823 -0.277 0.000 0.994 238 V HN 0.751 nan 8.190 nan 0.000 0.431 239 C N 5.762 124.778 119.300 -0.472 0.000 2.350 239 C HA 0.743 5.202 4.460 -0.002 0.000 0.348 239 C C -0.214 174.491 174.990 -0.474 0.000 1.260 239 C CA -0.738 57.989 59.018 -0.486 0.000 1.966 239 C CB 0.116 27.742 27.740 -0.190 0.000 2.380 239 C HN 0.653 nan 8.230 nan 0.000 0.535 240 F N 1.234 121.188 119.950 0.006 0.000 2.522 240 F HA 0.582 5.108 4.527 -0.002 0.000 0.324 240 F C 0.358 176.177 175.800 0.032 0.000 1.077 240 F CA -0.974 57.035 58.000 0.015 0.000 0.944 240 F CB 0.958 39.961 39.000 0.004 0.000 1.175 240 F HN 0.525 nan 8.300 nan 0.000 0.468 241 E N 0.422 120.773 120.200 0.251 0.000 2.256 241 E HA 0.555 4.904 4.350 -0.002 0.000 0.268 241 E C -0.261 176.468 176.600 0.215 0.000 0.877 241 E CA -0.792 55.722 56.400 0.190 0.000 0.757 241 E CB 2.411 32.194 29.700 0.137 0.000 1.183 241 E HN 0.815 nan 8.360 nan 0.000 0.418 242 G N 1.358 110.310 108.800 0.254 0.000 2.522 242 G HA2 0.309 4.267 3.960 -0.002 0.000 0.304 242 G HA3 0.309 4.267 3.960 -0.002 0.000 0.304 242 G C 0.489 175.537 174.900 0.247 0.000 1.210 242 G CA -0.531 44.745 45.100 0.293 0.000 0.960 242 G HN 0.499 nan 8.290 nan 0.000 0.497 243 L N -0.027 121.354 121.223 0.263 0.000 2.492 243 L HA 0.124 4.462 4.340 -0.002 0.000 0.223 243 L C 0.510 177.405 176.870 0.041 0.000 1.132 243 L CA -0.015 54.912 54.840 0.145 0.000 0.850 243 L CB -0.260 41.889 42.059 0.149 0.000 0.966 243 L HN 0.527 nan 8.230 nan 0.000 0.454 244 D N 0.758 121.183 120.400 0.041 0.000 2.304 244 D HA 0.440 5.078 4.640 -0.002 0.000 0.250 244 D C -0.195 176.137 176.300 0.053 0.000 1.107 244 D CA -0.109 53.853 54.000 -0.063 0.000 0.885 244 D CB 1.910 42.621 40.800 -0.148 0.000 1.192 244 D HN 0.000 nan 8.370 nan 0.000 0.436 245 A N 2.031 124.862 122.820 0.017 0.000 2.556 245 A HA 0.535 4.854 4.320 -0.002 0.000 0.294 245 A C -0.717 176.908 177.584 0.068 0.000 1.091 245 A CA -0.904 51.181 52.037 0.080 0.000 0.704 245 A CB 1.357 20.393 19.000 0.059 0.000 1.300 245 A HN 0.673 nan 8.150 nan 0.000 0.406 246 D N 0.417 120.891 120.400 0.122 0.000 2.414 246 D HA 0.375 5.014 4.640 -0.002 0.000 0.251 246 D C -1.962 174.362 176.300 0.041 0.000 1.252 246 D CA -1.419 52.641 54.000 0.100 0.000 0.999 246 D CB -0.320 40.562 40.800 0.137 0.000 1.093 246 D HN 0.107 nan 8.370 nan 0.000 0.515 247 P HA 0.039 nan 4.420 nan 0.000 0.219 247 P C 1.345 178.650 177.300 0.008 0.000 1.146 247 P CA 1.591 64.695 63.100 0.006 0.000 0.808 247 P CB -0.014 31.691 31.700 0.009 0.000 0.779 248 G N -1.625 107.184 108.800 0.015 0.000 2.712 248 G HA2 0.238 4.197 3.960 -0.002 0.000 0.212 248 G HA3 0.238 4.197 3.960 -0.002 0.000 0.212 248 G C 1.138 176.048 174.900 0.016 0.000 1.142 248 G CA 0.557 45.663 45.100 0.010 0.000 0.789 248 G HN 0.419 nan 8.290 nan 0.000 0.535 249 G N -1.439 107.378 108.800 0.028 0.000 2.184 249 G HA2 0.149 4.107 3.960 -0.002 0.000 0.206 249 G HA3 0.149 4.107 3.960 -0.002 0.000 0.206 249 G C 0.456 175.390 174.900 0.056 0.000 0.995 249 G CA 0.126 45.246 45.100 0.034 0.000 0.651 249 G HN 1.268 nan 8.290 nan 0.000 0.511 250 A N 1.800 124.663 122.820 0.072 0.000 2.409 250 A HA 0.706 5.024 4.320 -0.002 0.000 0.267 250 A C -1.467 176.225 177.584 0.181 0.000 1.127 250 A CA -0.702 51.398 52.037 0.104 0.000 0.795 250 A CB 0.595 19.641 19.000 0.077 0.000 1.061 250 A HN 0.246 nan 8.150 nan 0.000 0.502 251 P HA 0.207 nan 4.420 nan 0.000 0.282 251 P C -0.843 176.651 177.300 0.323 0.000 1.259 251 P CA -0.427 62.803 63.100 0.217 0.000 0.826 251 P CB 0.627 32.425 31.700 0.162 0.000 1.064 252 Y N 1.233 121.625 120.300 0.152 0.000 2.610 252 Y HA 0.399 4.948 4.550 -0.002 0.000 0.332 252 Y C 0.536 176.523 175.900 0.145 0.000 1.201 252 Y CA 1.408 59.506 58.100 -0.004 0.000 1.465 252 Y CB 0.018 38.330 38.460 -0.248 0.000 1.283 252 Y HN 0.620 nan 8.280 nan 0.000 0.563 253 G N 2.495 110.982 108.800 -0.521 0.000 2.690 253 G HA2 0.794 4.753 3.960 -0.002 0.000 0.293 253 G HA3 0.794 4.753 3.960 -0.002 0.000 0.293 253 G C -2.043 172.667 174.900 -0.318 0.000 1.399 253 G CA -0.358 44.609 45.100 -0.222 0.000 0.890 253 G HN 1.038 nan 8.290 nan 0.000 0.485 254 A N -0.234 122.553 122.820 -0.056 0.000 2.557 254 A HA 0.992 5.310 4.320 -0.002 0.000 0.292 254 A C -0.335 177.232 177.584 -0.028 0.000 1.139 254 A CA 0.142 52.180 52.037 0.002 0.000 0.665 254 A CB 1.373 20.435 19.000 0.104 0.000 1.285 254 A HN 2.323 nan 8.150 nan 0.000 0.433 255 S N -0.869 114.798 115.700 -0.055 0.000 2.596 255 S HA 0.825 5.294 4.470 -0.002 0.000 0.270 255 S C -0.803 173.772 174.600 -0.042 0.000 1.155 255 S CA -0.143 57.937 58.200 -0.200 0.000 0.827 255 S CB 1.168 64.258 63.200 -0.183 0.000 1.130 255 S HN 2.025 nan 8.310 nan 0.000 0.467 256 I N -2.420 118.117 120.570 -0.055 0.000 2.730 256 I HA 0.708 4.877 4.170 -0.002 0.000 0.298 256 I C -3.240 172.934 176.117 0.096 0.000 1.089 256 I CA -3.075 58.267 61.300 0.069 0.000 1.041 256 I CB 2.035 40.091 38.000 0.093 0.000 1.235 256 I HN 0.318 nan 8.210 nan 0.000 0.423 257 P HA -0.045 nan 4.420 nan 0.000 0.266 257 P C -0.150 177.144 177.300 -0.009 0.000 1.193 257 P CA 0.318 63.404 63.100 -0.023 0.000 0.770 257 P CB 0.296 31.988 31.700 -0.013 0.000 0.836 258 Y N 2.888 123.098 120.300 -0.151 0.000 2.181 258 Y HA -0.183 4.366 4.550 -0.002 0.000 0.288 258 Y C 2.394 178.260 175.900 -0.056 0.000 1.146 258 Y CA 2.467 60.519 58.100 -0.081 0.000 1.164 258 Y CB -0.850 37.589 38.460 -0.034 0.000 0.982 258 Y HN 0.493 nan 8.280 nan 0.000 0.515 259 G N 0.054 108.923 108.800 0.115 0.000 2.469 259 G HA2 -0.364 3.595 3.960 -0.002 0.000 0.219 259 G HA3 -0.364 3.595 3.960 -0.002 0.000 0.219 259 G C 1.782 176.668 174.900 -0.022 0.000 1.150 259 G CA 1.112 46.245 45.100 0.055 0.000 0.763 259 G HN 0.426 nan 8.290 nan 0.000 0.561 260 R N 0.427 120.911 120.500 -0.028 0.000 2.093 260 R HA 0.188 4.527 4.340 -0.002 0.000 0.224 260 R C 2.852 179.100 176.300 -0.087 0.000 1.101 260 R CA 1.236 57.315 56.100 -0.034 0.000 0.979 260 R CB -0.345 29.950 30.300 -0.008 0.000 0.877 260 R HN 0.263 nan 8.270 nan 0.000 0.441 261 A N 1.051 123.788 122.820 -0.139 0.000 1.902 261 A HA -0.109 4.210 4.320 -0.002 0.000 0.217 261 A C 1.945 179.388 177.584 -0.236 0.000 1.181 261 A CA 0.980 52.907 52.037 -0.184 0.000 0.623 261 A CB -0.290 18.548 19.000 -0.271 0.000 0.818 261 A HN 0.291 nan 8.150 nan 0.000 0.443 262 L N -0.214 120.827 121.223 -0.305 0.000 2.509 262 L HA 0.102 4.441 4.340 -0.002 0.000 0.222 262 L C 1.351 178.154 176.870 -0.112 0.000 1.123 262 L CA 0.741 55.439 54.840 -0.236 0.000 0.856 262 L CB -1.022 40.856 42.059 -0.302 0.000 0.985 262 L HN 0.412 nan 8.230 nan 0.000 0.456 263 S N 1.320 116.971 115.700 -0.082 0.000 2.516 263 S HA 0.116 4.584 4.470 -0.002 0.000 0.282 263 S C -1.077 173.505 174.600 -0.030 0.000 1.286 263 S CA -1.029 57.153 58.200 -0.030 0.000 1.066 263 S CB 1.009 64.210 63.200 0.001 0.000 0.884 263 S HN 0.023 nan 8.310 nan 0.000 0.491 264 P HA 0.014 nan 4.420 nan 0.000 0.218 264 P C 1.073 178.380 177.300 0.011 0.000 1.149 264 P CA 1.178 64.264 63.100 -0.023 0.000 0.817 264 P CB -0.077 31.617 31.700 -0.010 0.000 0.785 265 A N 0.148 123.000 122.820 0.054 0.000 2.016 265 A HA 0.181 4.500 4.320 -0.002 0.000 0.217 265 A C 2.309 180.045 177.584 0.253 0.000 1.162 265 A CA 1.259 53.373 52.037 0.129 0.000 0.662 265 A CB -1.274 17.789 19.000 0.106 0.000 0.812 265 A HN 0.185 nan 8.150 nan 0.000 0.450 266 A N -0.857 122.052 122.820 0.150 0.000 2.067 266 A HA 0.024 4.343 4.320 -0.002 0.000 0.219 266 A C 0.798 178.298 177.584 -0.140 0.000 1.158 266 A CA 1.224 53.316 52.037 0.092 0.000 0.661 266 A CB -0.333 18.664 19.000 -0.004 0.000 0.801 266 A HN 0.437 nan 8.150 nan 0.000 0.452 267 D N -1.562 118.786 120.400 -0.088 0.000 2.911 267 D HA -0.125 4.514 4.640 -0.002 0.000 0.227 267 D C -0.266 175.846 176.300 -0.312 0.000 1.164 267 D CA 1.001 54.891 54.000 -0.183 0.000 0.782 267 D CB -1.919 38.794 40.800 -0.144 0.000 1.094 267 D HN 0.240 nan 8.370 nan 0.000 0.425 268 V N 0.988 120.738 119.914 -0.273 0.000 2.521 268 V HA 0.173 4.292 4.120 -0.002 0.000 0.286 268 V C 1.107 177.047 176.094 -0.258 0.000 1.034 268 V CA 0.106 62.236 62.300 -0.285 0.000 1.045 268 V CB 1.110 32.808 31.823 -0.208 0.000 0.974 268 V HN 0.082 nan 8.190 nan 0.000 0.480 269 L N 5.369 126.411 121.223 -0.302 0.000 2.319 269 L HA 0.581 4.920 4.340 -0.002 0.000 0.267 269 L C -0.398 176.284 176.870 -0.313 0.000 1.011 269 L CA -0.790 53.886 54.840 -0.272 0.000 0.818 269 L CB 2.056 43.962 42.059 -0.256 0.000 1.316 269 L HN 0.428 nan 8.230 nan 0.000 0.432 270 L N 2.501 123.569 121.223 -0.258 0.000 2.360 270 L HA 0.442 4.781 4.340 -0.002 0.000 0.265 270 L C 0.205 176.935 176.870 -0.233 0.000 1.066 270 L CA -0.362 54.336 54.840 -0.235 0.000 0.929 270 L CB 1.002 42.965 42.059 -0.159 0.000 1.306 270 L HN 0.621 nan 8.230 nan 0.000 0.434 271 A N 2.062 124.705 122.820 -0.295 0.000 2.363 271 A HA 0.408 4.727 4.320 -0.002 0.000 0.270 271 A C -0.033 177.430 177.584 -0.202 0.000 1.121 271 A CA -0.139 51.709 52.037 -0.315 0.000 0.800 271 A CB 0.135 18.997 19.000 -0.230 0.000 1.052 271 A HN 0.701 nan 8.150 nan 0.000 0.493 272 Y N -0.721 119.550 120.300 -0.049 0.000 2.563 272 Y HA 0.542 5.091 4.550 -0.002 0.000 0.250 272 Y C 0.006 175.899 175.900 -0.011 0.000 1.126 272 Y CA -0.629 57.432 58.100 -0.065 0.000 1.231 272 Y CB -0.117 38.295 38.460 -0.081 0.000 1.288 272 Y HN 0.565 nan 8.280 nan 0.000 0.537 273 E N 1.777 121.979 120.200 0.003 0.000 2.292 273 E HA 0.514 4.863 4.350 -0.002 0.000 0.272 273 E C -1.653 174.924 176.600 -0.039 0.000 0.881 273 E CA -0.925 55.490 56.400 0.025 0.000 0.754 273 E CB 2.724 32.439 29.700 0.026 0.000 1.201 273 E HN 0.251 nan 8.360 nan 0.000 0.425 274 M N 3.603 123.126 119.600 -0.128 0.000 2.151 274 M HA 0.334 4.813 4.480 -0.002 0.000 0.290 274 M C -1.150 174.918 176.300 -0.386 0.000 0.965 274 M CA -0.293 54.768 55.300 -0.398 0.000 0.930 274 M CB 0.878 33.217 32.600 -0.436 0.000 1.560 274 M HN 0.463 nan 8.290 nan 0.000 0.438 275 N N 3.685 122.117 118.700 -0.447 0.000 2.716 275 N HA -0.191 4.548 4.740 -0.002 0.000 0.250 275 N C 0.643 176.053 175.510 -0.166 0.000 1.033 275 N CA 1.758 54.630 53.050 -0.297 0.000 0.727 275 N CB -1.354 36.957 38.487 -0.293 0.000 0.950 275 N HN 1.215 nan 8.380 nan 0.000 0.541 276 G N -2.640 106.084 108.800 -0.126 0.000 2.199 276 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.254 276 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.254 276 G C 0.271 175.149 174.900 -0.038 0.000 0.982 276 G CA 1.369 46.431 45.100 -0.062 0.000 0.632 276 G HN 1.192 nan 8.290 nan 0.000 0.529 277 T N -1.551 112.973 114.554 -0.052 0.000 2.910 277 T HA 0.678 5.027 4.350 -0.002 0.000 0.287 277 T C 0.165 174.873 174.700 0.013 0.000 1.050 277 T CA 0.044 62.133 62.100 -0.019 0.000 1.011 277 T CB 2.032 70.881 68.868 -0.033 0.000 1.195 277 T HN 0.788 nan 8.240 nan 0.000 0.540 278 E N 0.731 120.963 120.200 0.054 0.000 2.418 278 E HA 0.277 4.626 4.350 -0.002 0.000 0.261 278 E C -0.582 176.091 176.600 0.122 0.000 1.070 278 E CA -0.950 55.527 56.400 0.129 0.000 0.931 278 E CB 0.208 30.028 29.700 0.201 0.000 0.954 278 E HN 0.378 nan 8.360 nan 0.000 0.439 279 L N 3.491 124.826 121.223 0.187 0.000 2.559 279 L HA 0.068 4.407 4.340 -0.002 0.000 0.274 279 L C -2.109 174.879 176.870 0.196 0.000 1.205 279 L CA -1.056 53.879 54.840 0.158 0.000 0.907 279 L CB -0.313 41.833 42.059 0.145 0.000 1.153 279 L HN 0.572 nan 8.230 nan 0.000 0.490 280 P HA 0.091 nan 4.420 nan 0.000 0.269 280 P C 0.401 177.781 177.300 0.133 0.000 1.215 280 P CA -0.181 62.971 63.100 0.086 0.000 0.780 280 P CB 0.509 32.287 31.700 0.130 0.000 0.898 281 R N 1.003 121.558 120.500 0.092 0.000 2.083 281 R HA -0.165 4.174 4.340 -0.002 0.000 0.237 281 R C 1.402 177.883 176.300 0.302 0.000 1.137 281 R CA 1.676 57.914 56.100 0.230 0.000 0.951 281 R CB -0.633 29.726 30.300 0.098 0.000 0.851 281 R HN 0.536 nan 8.270 nan 0.000 0.434 282 D N -0.421 120.014 120.400 0.059 0.000 2.263 282 D HA -0.110 4.529 4.640 -0.002 0.000 0.208 282 D C 0.896 176.947 176.300 -0.414 0.000 0.971 282 D CA 1.118 55.069 54.000 -0.082 0.000 0.867 282 D CB 0.011 40.631 40.800 -0.301 0.000 0.929 282 D HN 0.367 nan 8.370 nan 0.000 0.492 283 H N -1.456 117.550 119.070 -0.106 0.000 2.487 283 H HA 0.382 4.936 4.556 -0.002 0.000 0.290 283 H C 1.272 176.304 175.328 -0.493 0.000 1.081 283 H CA 0.552 56.408 56.048 -0.319 0.000 1.116 283 H CB 0.826 30.432 29.762 -0.261 0.000 1.560 283 H HN 0.131 nan 8.280 nan 0.000 0.548 284 G N 1.061 109.446 108.800 -0.692 0.000 2.154 284 G HA2 -0.256 3.702 3.960 -0.002 0.000 0.186 284 G HA3 -0.256 3.702 3.960 -0.002 0.000 0.186 284 G C 0.047 174.717 174.900 -0.383 0.000 1.000 284 G CA -0.436 44.018 45.100 -1.077 0.000 0.664 284 G HN 0.340 nan 8.290 nan 0.000 0.513 285 F N 2.725 122.613 119.950 -0.104 0.000 2.548 285 F HA 0.287 4.813 4.527 -0.002 0.000 0.403 285 F C -0.255 175.561 175.800 0.026 0.000 1.004 285 F CA 0.113 58.112 58.000 -0.001 0.000 1.177 285 F CB 0.976 40.010 39.000 0.057 0.000 0.974 285 F HN 0.048 nan 8.300 nan 0.000 0.541 286 P HA 0.100 nan 4.420 nan 0.000 0.252 286 P C -0.739 176.213 177.300 -0.581 0.000 1.211 286 P CA 0.501 62.800 63.100 -1.335 0.000 0.824 286 P CB 0.882 31.613 31.700 -1.615 0.000 1.077 287 V N 1.436 121.075 119.914 -0.459 0.000 2.733 287 V HA 0.450 4.569 4.120 -0.002 0.000 0.306 287 V C -0.105 175.835 176.094 -0.256 0.000 1.084 287 V CA -0.778 61.366 62.300 -0.259 0.000 0.905 287 V CB 2.794 34.517 31.823 -0.167 0.000 1.010 287 V HN 0.121 nan 8.190 nan 0.000 0.424 288 R N 2.776 123.103 120.500 -0.288 0.000 2.837 288 R HA 0.897 5.235 4.340 -0.002 0.000 0.271 288 R C -1.732 174.311 176.300 -0.428 0.000 0.993 288 R CA -0.758 55.111 56.100 -0.385 0.000 0.931 288 R CB 2.062 32.069 30.300 -0.488 0.000 1.206 288 R HN 0.330 nan 8.270 nan 0.000 0.474 289 V N 1.689 121.293 119.914 -0.516 0.000 2.607 289 V HA 0.345 4.463 4.120 -0.002 0.000 0.289 289 V C -0.385 175.338 176.094 -0.619 0.000 1.053 289 V CA -0.582 61.341 62.300 -0.628 0.000 0.996 289 V CB 1.574 32.817 31.823 -0.965 0.000 0.995 289 V HN 0.528 nan 8.190 nan 0.000 0.476 290 V N 5.010 124.557 119.914 -0.611 0.000 2.409 290 V HA 0.329 4.448 4.120 -0.002 0.000 0.290 290 V C -0.382 175.397 176.094 -0.525 0.000 1.017 290 V CA -0.477 61.401 62.300 -0.703 0.000 0.841 290 V CB 1.954 33.189 31.823 -0.980 0.000 1.003 290 V HN 0.615 nan 8.190 nan 0.000 0.426 291 V N 7.342 127.002 119.914 -0.423 0.000 2.277 291 V HA 0.323 4.441 4.120 -0.002 0.000 0.269 291 V C -2.284 173.609 176.094 -0.334 0.000 1.036 291 V CA -2.034 60.072 62.300 -0.323 0.000 0.821 291 V CB 1.036 32.756 31.823 -0.171 0.000 1.052 291 V HN 0.681 nan 8.190 nan 0.000 0.462 292 P HA 0.184 nan 4.420 nan 0.000 0.266 292 P C 1.108 178.236 177.300 -0.286 0.000 1.195 292 P CA 1.105 63.847 63.100 -0.597 0.000 0.768 292 P CB 0.634 31.397 31.700 -1.562 0.000 0.838 293 G N 0.557 109.529 108.800 0.287 0.000 2.168 293 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.257 293 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.257 293 G C -0.007 175.122 174.900 0.381 0.000 0.997 293 G CA 0.080 45.514 45.100 0.556 0.000 0.708 293 G HN 0.549 nan 8.290 nan 0.000 0.520 294 V N -0.455 119.613 119.914 0.256 0.000 2.962 294 V HA 0.664 4.783 4.120 -0.002 0.000 0.313 294 V C 0.887 177.052 176.094 0.117 0.000 1.099 294 V CA -0.452 61.943 62.300 0.159 0.000 0.971 294 V CB 2.034 33.888 31.823 0.053 0.000 1.028 294 V HN 0.533 nan 8.190 nan 0.000 0.430 295 V N 3.608 123.577 119.914 0.092 0.000 2.814 295 V HA 0.148 4.266 4.120 -0.002 0.000 0.307 295 V C 1.678 177.739 176.094 -0.054 0.000 1.089 295 V CA 1.502 63.814 62.300 0.019 0.000 1.212 295 V CB 1.320 33.151 31.823 0.014 0.000 0.912 295 V HN 1.118 nan 8.190 nan 0.000 0.497 296 G N 4.585 113.336 108.800 -0.082 0.000 2.469 296 G HA2 -0.279 3.679 3.960 -0.002 0.000 0.220 296 G HA3 -0.279 3.679 3.960 -0.002 0.000 0.220 296 G C 1.633 176.464 174.900 -0.115 0.000 1.136 296 G CA 1.150 46.201 45.100 -0.082 0.000 0.759 296 G HN 1.365 nan 8.290 nan 0.000 0.562 297 A N 0.590 123.300 122.820 -0.183 0.000 1.997 297 A HA -0.152 4.167 4.320 -0.002 0.000 0.221 297 A C 2.400 179.992 177.584 0.014 0.000 1.172 297 A CA 1.922 53.846 52.037 -0.188 0.000 0.645 297 A CB -0.287 18.341 19.000 -0.620 0.000 0.813 297 A HN 0.256 nan 8.150 nan 0.000 0.454 298 R N 0.324 120.821 120.500 -0.004 0.000 2.276 298 R HA 0.111 4.450 4.340 -0.002 0.000 0.203 298 R C 0.452 176.761 176.300 0.014 0.000 1.017 298 R CA 0.383 56.526 56.100 0.070 0.000 1.010 298 R CB -1.017 29.322 30.300 0.065 0.000 0.900 298 R HN 0.373 nan 8.270 nan 0.000 0.469 299 S N 1.504 117.134 115.700 -0.117 0.000 4.120 299 S HA 0.142 4.610 4.470 -0.002 0.000 0.196 299 S C 0.033 174.464 174.600 -0.282 0.000 1.447 299 S CA -0.314 57.717 58.200 -0.282 0.000 0.939 299 S CB 0.032 63.008 63.200 -0.374 0.000 1.496 299 S HN -0.108 nan 8.310 nan 0.000 0.460 300 V N 3.790 123.588 119.914 -0.193 0.000 2.509 300 V HA -0.007 4.112 4.120 -0.002 0.000 0.297 300 V C 0.785 176.728 176.094 -0.253 0.000 1.014 300 V CA 0.361 62.610 62.300 -0.086 0.000 1.127 300 V CB -0.187 31.693 31.823 0.096 0.000 0.925 300 V HN 0.545 nan 8.190 nan 0.000 0.480 301 K N 4.484 124.680 120.400 -0.340 0.000 2.090 301 K HA 0.291 4.610 4.320 -0.002 0.000 0.250 301 K C -0.099 176.330 176.600 -0.285 0.000 1.004 301 K CA -0.596 55.305 56.287 -0.643 0.000 0.919 301 K CB 0.574 32.239 32.500 -1.392 0.000 1.045 301 K HN 0.699 nan 8.250 nan 0.000 0.471 302 W N 0.990 122.251 121.300 -0.065 0.000 6.486 302 W HA -0.208 4.451 4.660 -0.002 0.000 0.411 302 W C -0.358 176.184 176.519 0.038 0.000 1.595 302 W CA -0.405 56.925 57.345 -0.025 0.000 1.075 302 W CB -1.948 27.515 29.460 0.005 0.000 2.798 302 W HN 0.396 nan 8.180 nan 0.000 1.534 303 L N 1.931 123.230 121.223 0.127 0.000 2.513 303 L HA 0.054 4.393 4.340 -0.002 0.000 0.272 303 L C 1.775 178.800 176.870 0.258 0.000 1.187 303 L CA 1.117 56.044 54.840 0.144 0.000 0.895 303 L CB 0.519 42.592 42.059 0.022 0.000 1.147 303 L HN 0.248 nan 8.230 nan 0.000 0.483 304 R N 3.608 124.229 120.500 0.202 0.000 2.287 304 R HA 0.316 4.655 4.340 -0.002 0.000 0.197 304 R C 0.424 176.778 176.300 0.090 0.000 0.900 304 R CA -0.264 55.920 56.100 0.140 0.000 1.052 304 R CB 0.284 30.661 30.300 0.128 0.000 1.117 304 R HN 0.539 nan 8.270 nan 0.000 0.568 305 R N 0.658 121.235 120.500 0.128 0.000 2.626 305 R HA 0.430 4.769 4.340 -0.002 0.000 0.274 305 R C -1.906 174.501 176.300 0.177 0.000 1.031 305 R CA -0.684 55.488 56.100 0.121 0.000 0.898 305 R CB 2.651 33.009 30.300 0.097 0.000 1.222 305 R HN 0.025 nan 8.270 nan 0.000 0.455 306 V N 2.969 122.982 119.914 0.165 0.000 2.407 306 V HA 0.742 4.861 4.120 -0.002 0.000 0.291 306 V C -0.609 175.542 176.094 0.096 0.000 1.018 306 V CA -0.558 61.857 62.300 0.192 0.000 0.842 306 V CB 1.360 33.307 31.823 0.206 0.000 0.996 306 V HN 0.883 nan 8.190 nan 0.000 0.426 307 A N 4.735 127.565 122.820 0.018 0.000 2.356 307 A HA 0.849 5.168 4.320 -0.002 0.000 0.310 307 A C -0.822 176.733 177.584 -0.049 0.000 1.075 307 A CA -0.565 51.481 52.037 0.015 0.000 0.746 307 A CB 1.780 20.800 19.000 0.033 0.000 1.221 307 A HN 0.583 nan 8.150 nan 0.000 0.443 308 V N 1.888 121.764 119.914 -0.064 0.000 2.498 308 V HA 0.642 4.761 4.120 -0.002 0.000 0.279 308 V C 0.566 176.759 176.094 0.164 0.000 1.048 308 V CA 0.247 62.518 62.300 -0.048 0.000 0.967 308 V CB 1.232 32.800 31.823 -0.424 0.000 0.988 308 V HN 0.998 nan 8.190 nan 0.000 0.473 309 S N 5.546 121.384 115.700 0.230 0.000 2.556 309 S HA 0.584 5.053 4.470 -0.002 0.000 0.271 309 S C -2.315 172.221 174.600 -0.107 0.000 1.135 309 S CA -1.175 57.093 58.200 0.113 0.000 0.858 309 S CB 2.479 65.685 63.200 0.011 0.000 1.114 309 S HN 0.458 nan 8.310 nan 0.000 0.468 310 P HA 0.160 nan 4.420 nan 0.000 0.229 310 P C -0.445 176.607 177.300 -0.414 0.000 1.160 310 P CA 0.831 63.234 63.100 -1.161 0.000 0.777 310 P CB -0.078 30.936 31.700 -1.143 0.000 0.814 311 D N -0.292 119.981 120.400 -0.210 0.000 2.340 311 D HA 0.199 4.838 4.640 -0.002 0.000 0.240 311 D C 0.160 176.303 176.300 -0.262 0.000 1.001 311 D CA -0.658 53.242 54.000 -0.168 0.000 0.888 311 D CB 1.778 42.476 40.800 -0.171 0.000 1.310 311 D HN -0.037 nan 8.370 nan 0.000 0.474 312 E N 0.127 119.984 120.200 -0.570 0.000 2.442 312 E HA 0.034 4.382 4.350 -0.002 0.000 0.260 312 E C 0.090 176.513 176.600 -0.295 0.000 1.148 312 E CA 0.125 56.122 56.400 -0.672 0.000 0.976 312 E CB 0.711 30.083 29.700 -0.546 0.000 0.967 312 E HN 0.239 nan 8.360 nan 0.000 0.454 313 S N 1.702 117.268 115.700 -0.223 0.000 2.558 313 S HA 0.027 4.496 4.470 -0.002 0.000 0.288 313 S C -1.673 172.858 174.600 -0.115 0.000 1.318 313 S CA -1.171 56.947 58.200 -0.137 0.000 1.056 313 S CB 0.616 63.749 63.200 -0.111 0.000 0.853 313 S HN 0.315 nan 8.310 nan 0.000 0.505 314 P HA 0.098 nan 4.420 nan 0.000 0.245 314 P C 0.417 177.676 177.300 -0.067 0.000 1.206 314 P CA -0.043 63.011 63.100 -0.076 0.000 0.781 314 P CB -0.116 31.548 31.700 -0.060 0.000 0.994 315 S N -0.035 115.635 115.700 -0.050 0.000 2.550 315 S HA -0.128 4.341 4.470 -0.002 0.000 0.285 315 S C 1.492 176.035 174.600 -0.095 0.000 1.326 315 S CA 0.084 58.269 58.200 -0.026 0.000 1.037 315 S CB 0.011 63.230 63.200 0.032 0.000 0.838 315 S HN 0.265 nan 8.310 nan 0.000 0.519 316 H N 3.752 122.627 119.070 -0.324 0.000 2.352 316 H HA -0.069 4.486 4.556 -0.002 0.000 0.299 316 H C 1.517 176.568 175.328 -0.463 0.000 1.097 316 H CA 2.545 58.275 56.048 -0.530 0.000 1.311 316 H CB -0.093 29.075 29.762 -0.989 0.000 1.377 316 H HN 0.763 nan 8.280 nan 0.000 0.504 317 W N 0.079 121.263 121.300 -0.194 0.000 2.678 317 W HA -0.006 4.653 4.660 -0.002 0.000 0.256 317 W C 1.923 178.429 176.519 -0.022 0.000 1.280 317 W CA 0.793 58.063 57.345 -0.125 0.000 1.345 317 W CB -0.195 29.299 29.460 0.058 0.000 1.118 317 W HN 0.429 nan 8.180 nan 0.000 0.629 318 Q N 0.258 120.102 119.800 0.074 0.000 2.297 318 Q HA -0.086 4.253 4.340 -0.002 0.000 0.203 318 Q C 2.181 178.174 176.000 -0.011 0.000 0.931 318 Q CA 1.226 57.061 55.803 0.054 0.000 0.885 318 Q CB -0.037 28.694 28.738 -0.013 0.000 0.991 318 Q HN -0.020 nan 8.270 nan 0.000 0.498 319 Q N -0.357 119.372 119.800 -0.119 0.000 2.226 319 Q HA 0.172 4.511 4.340 -0.002 0.000 0.199 319 Q C 0.311 176.182 176.000 -0.215 0.000 0.945 319 Q CA 0.761 56.493 55.803 -0.118 0.000 0.861 319 Q CB 0.438 29.100 28.738 -0.127 0.000 0.953 319 Q HN 0.371 nan 8.270 nan 0.000 0.490 320 N N 1.087 119.452 118.700 -0.558 0.000 2.467 320 N HA 0.150 4.889 4.740 -0.002 0.000 0.278 320 N C -0.937 173.742 175.510 -1.386 0.000 1.306 320 N CA 0.115 52.524 53.050 -1.069 0.000 0.905 320 N CB 1.273 39.336 38.487 -0.707 0.000 1.236 320 N HN 0.102 nan 8.380 nan 0.000 0.509 321 D N -0.880 119.055 120.400 -0.774 0.000 2.692 321 D HA 0.193 4.831 4.640 -0.002 0.000 0.290 321 D C -0.912 175.461 176.300 0.121 0.000 1.281 321 D CA -0.322 53.467 54.000 -0.353 0.000 0.804 321 D CB 0.551 41.065 40.800 -0.477 0.000 1.331 321 D HN -0.048 nan 8.370 nan 0.000 0.432 322 Y N -0.521 119.969 120.300 0.318 0.000 3.001 322 Y HA -0.221 4.328 4.550 -0.002 0.000 0.199 322 Y C 0.086 176.094 175.900 0.180 0.000 1.320 322 Y CA 0.806 59.053 58.100 0.246 0.000 0.974 322 Y CB -1.405 37.188 38.460 0.222 0.000 1.291 322 Y HN 0.153 nan 8.280 nan 0.000 0.465 323 K N -0.508 120.036 120.400 0.240 0.000 2.512 323 K HA 0.803 5.121 4.320 -0.002 0.000 0.263 323 K C 0.351 176.726 176.600 -0.376 0.000 0.966 323 K CA -0.649 55.579 56.287 -0.097 0.000 0.851 323 K CB 2.501 34.853 32.500 -0.246 0.000 1.395 323 K HN 0.199 nan 8.250 nan 0.000 0.440 324 G N 1.116 109.596 108.800 -0.534 0.000 2.388 324 G HA2 0.699 4.657 3.960 -0.002 0.000 0.330 324 G HA3 0.699 4.657 3.960 -0.002 0.000 0.330 324 G C -1.198 173.221 174.900 -0.802 0.000 1.142 324 G CA -0.338 44.486 45.100 -0.461 0.000 0.908 324 G HN 0.289 nan 8.290 nan 0.000 0.473 325 F N -0.030 119.836 119.950 -0.140 0.000 2.611 325 F HA 0.609 5.134 4.527 -0.002 0.000 0.324 325 F C 0.833 176.585 175.800 -0.080 0.000 1.061 325 F CA -0.903 57.011 58.000 -0.142 0.000 0.954 325 F CB 2.087 40.956 39.000 -0.218 0.000 1.301 325 F HN 0.455 nan 8.300 nan 0.000 0.482 326 S N 2.165 117.953 115.700 0.146 0.000 2.573 326 S HA 0.111 4.580 4.470 -0.002 0.000 0.277 326 S C -1.434 173.243 174.600 0.128 0.000 1.346 326 S CA -1.036 57.223 58.200 0.098 0.000 1.034 326 S CB 0.622 63.867 63.200 0.074 0.000 0.879 326 S HN 0.418 nan 8.310 nan 0.000 0.528 327 P HA -0.009 nan 4.420 nan 0.000 0.225 327 P C 1.577 178.992 177.300 0.193 0.000 1.148 327 P CA 0.858 64.102 63.100 0.239 0.000 0.779 327 P CB -0.703 31.115 31.700 0.197 0.000 0.780 328 C N -2.548 116.812 119.300 0.101 0.000 2.468 328 C HA 0.153 4.612 4.460 -0.002 0.000 0.277 328 C C 1.268 176.281 174.990 0.039 0.000 1.400 328 C CA -0.507 58.543 59.018 0.053 0.000 1.770 328 C CB -1.555 26.202 27.740 0.028 0.000 1.905 328 C HN -0.066 nan 8.230 nan 0.000 0.519 329 V N 2.989 122.922 119.914 0.031 0.000 2.637 329 V HA 0.300 4.419 4.120 -0.002 0.000 0.296 329 V C 0.042 176.076 176.094 -0.100 0.000 1.046 329 V CA 0.980 63.237 62.300 -0.071 0.000 1.066 329 V CB 0.660 32.383 31.823 -0.166 0.000 0.968 329 V HN 0.499 nan 8.190 nan 0.000 0.483 330 D N 2.118 122.434 120.400 -0.140 0.000 2.687 330 D HA 0.314 4.952 4.640 -0.002 0.000 0.264 330 D C 0.402 176.560 176.300 -0.236 0.000 1.091 330 D CA -0.651 53.254 54.000 -0.158 0.000 1.123 330 D CB 1.336 42.139 40.800 0.004 0.000 1.407 330 D HN 0.418 nan 8.370 nan 0.000 0.591 331 W N 0.241 121.549 121.300 0.014 0.000 2.374 331 W HA -0.109 4.550 4.660 -0.002 0.000 0.288 331 W C 1.808 178.316 176.519 -0.019 0.000 1.218 331 W CA 0.909 58.248 57.345 -0.010 0.000 1.245 331 W CB 0.018 29.489 29.460 0.018 0.000 1.126 331 W HN 0.427 nan 8.180 nan 0.000 0.545 332 D N -0.988 119.517 120.400 0.174 0.000 2.347 332 D HA -0.085 4.554 4.640 -0.002 0.000 0.215 332 D C 1.484 177.808 176.300 0.040 0.000 0.976 332 D CA 1.673 55.734 54.000 0.102 0.000 0.884 332 D CB -1.090 39.760 40.800 0.083 0.000 0.915 332 D HN 0.255 nan 8.370 nan 0.000 0.526 333 T N -3.226 111.321 114.554 -0.011 0.000 2.975 333 T HA 0.184 4.533 4.350 -0.002 0.000 0.261 333 T C 0.743 175.371 174.700 -0.120 0.000 0.984 333 T CA -0.304 61.767 62.100 -0.048 0.000 0.911 333 T CB -0.169 68.670 68.868 -0.049 0.000 1.127 333 T HN -0.005 nan 8.240 nan 0.000 0.514 334 V N 2.973 122.762 119.914 -0.208 0.000 2.617 334 V HA 0.295 4.414 4.120 -0.002 0.000 0.304 334 V C -0.645 175.315 176.094 -0.225 0.000 1.040 334 V CA 0.600 62.650 62.300 -0.416 0.000 1.149 334 V CB 0.666 32.116 31.823 -0.622 0.000 0.914 334 V HN 0.571 nan 8.190 nan 0.000 0.487 335 D N 5.199 125.451 120.400 -0.248 0.000 2.386 335 D HA 0.214 4.853 4.640 -0.002 0.000 0.247 335 D C 0.049 176.400 176.300 0.084 0.000 1.336 335 D CA -0.382 53.609 54.000 -0.015 0.000 0.976 335 D CB 0.819 41.627 40.800 0.012 0.000 1.257 335 D HN 0.519 nan 8.370 nan 0.000 0.570 336 Y N 2.082 122.456 120.300 0.123 0.000 2.651 336 Y HA -0.040 4.508 4.550 -0.002 0.000 0.296 336 Y C 1.943 177.931 175.900 0.147 0.000 1.150 336 Y CA 0.885 59.127 58.100 0.237 0.000 1.348 336 Y CB 0.188 38.734 38.460 0.143 0.000 0.983 336 Y HN 0.306 nan 8.280 nan 0.000 0.555 337 R N -1.147 119.469 120.500 0.192 0.000 2.276 337 R HA -0.043 4.296 4.340 -0.002 0.000 0.203 337 R C 2.042 178.390 176.300 0.080 0.000 1.017 337 R CA 1.371 57.537 56.100 0.111 0.000 1.010 337 R CB -0.387 29.957 30.300 0.074 0.000 0.900 337 R HN 0.303 nan 8.270 nan 0.000 0.469 338 T N -3.072 111.541 114.554 0.100 0.000 3.100 338 T HA 0.391 4.739 4.350 -0.002 0.000 0.253 338 T C 0.618 175.328 174.700 0.016 0.000 1.118 338 T CA 0.138 62.278 62.100 0.067 0.000 1.058 338 T CB 0.373 69.296 68.868 0.092 0.000 0.953 338 T HN 0.119 nan 8.240 nan 0.000 0.515 339 A N 2.007 124.808 122.820 -0.032 0.000 2.469 339 A HA 0.834 5.153 4.320 -0.002 0.000 0.299 339 A C -2.944 174.585 177.584 -0.091 0.000 1.098 339 A CA -2.087 49.856 52.037 -0.157 0.000 0.737 339 A CB 1.348 20.052 19.000 -0.494 0.000 1.312 339 A HN 0.213 nan 8.150 nan 0.000 0.414 340 P HA 0.492 nan 4.420 nan 0.000 0.284 340 P C -0.199 177.093 177.300 -0.014 0.000 1.258 340 P CA -0.108 62.976 63.100 -0.026 0.000 0.824 340 P CB 1.315 33.008 31.700 -0.012 0.000 1.038 341 A N 3.115 125.954 122.820 0.032 0.000 2.498 341 A HA 0.177 4.495 4.320 -0.002 0.000 0.239 341 A C 0.671 178.295 177.584 0.067 0.000 1.068 341 A CA -0.273 51.807 52.037 0.072 0.000 0.766 341 A CB -0.783 18.262 19.000 0.074 0.000 1.003 341 A HN 0.512 nan 8.150 nan 0.000 0.497 342 I N 2.291 122.920 120.570 0.098 0.000 2.618 342 I HA -0.003 4.166 4.170 -0.002 0.000 0.284 342 I C 1.086 177.252 176.117 0.082 0.000 1.146 342 I CA 0.145 61.496 61.300 0.086 0.000 1.425 342 I CB 0.469 38.537 38.000 0.115 0.000 1.383 342 I HN 0.760 nan 8.210 nan 0.000 0.562 343 Q N 4.516 124.361 119.800 0.075 0.000 2.160 343 Q HA 0.285 4.624 4.340 -0.002 0.000 0.166 343 Q C -0.075 175.981 176.000 0.093 0.000 0.592 343 Q CA -0.090 55.760 55.803 0.077 0.000 0.711 343 Q CB -0.082 28.700 28.738 0.074 0.000 1.157 343 Q HN 0.559 nan 8.270 nan 0.000 0.463 344 E N 1.385 121.639 120.200 0.091 0.000 2.398 344 E HA 0.192 4.540 4.350 -0.002 0.000 0.263 344 E C -0.389 176.280 176.600 0.116 0.000 1.046 344 E CA 0.061 56.525 56.400 0.108 0.000 0.908 344 E CB 0.611 30.354 29.700 0.072 0.000 0.963 344 E HN 0.148 nan 8.360 nan 0.000 0.431 345 L N 3.979 125.303 121.223 0.169 0.000 2.352 345 L HA 0.454 4.793 4.340 -0.002 0.000 0.269 345 L C -1.950 174.986 176.870 0.110 0.000 1.034 345 L CA -2.086 52.871 54.840 0.195 0.000 0.806 345 L CB 1.232 43.540 42.059 0.416 0.000 1.244 345 L HN 0.412 nan 8.230 nan 0.000 0.447 346 P HA 0.067 nan 4.420 nan 0.000 0.278 346 P C -0.480 176.869 177.300 0.082 0.000 1.266 346 P CA -0.339 62.800 63.100 0.065 0.000 0.807 346 P CB 1.366 33.109 31.700 0.071 0.000 1.094 347 V N 0.975 120.911 119.914 0.037 0.000 2.814 347 V HA 0.010 4.129 4.120 -0.002 0.000 0.307 347 V C 0.042 176.229 176.094 0.155 0.000 1.089 347 V CA 1.113 63.448 62.300 0.057 0.000 1.212 347 V CB 0.028 31.859 31.823 0.014 0.000 0.912 347 V HN 0.727 nan 8.190 nan 0.000 0.497 348 Q N 4.653 124.594 119.800 0.234 0.000 2.418 348 Q HA 0.755 5.094 4.340 -0.002 0.000 0.282 348 Q C -1.111 175.062 176.000 0.288 0.000 1.044 348 Q CA 0.008 55.983 55.803 0.286 0.000 0.813 348 Q CB 2.483 31.462 28.738 0.402 0.000 1.428 348 Q HN 1.212 nan 8.270 nan 0.000 0.402 349 S N 0.624 116.443 115.700 0.199 0.000 2.567 349 S HA 0.998 5.467 4.470 -0.002 0.000 0.270 349 S C -1.645 172.906 174.600 -0.081 0.000 1.152 349 S CA -0.232 58.020 58.200 0.086 0.000 0.835 349 S CB 1.148 64.402 63.200 0.090 0.000 1.115 349 S HN 1.317 nan 8.310 nan 0.000 0.459 350 A N 1.004 123.630 122.820 -0.324 0.000 2.604 350 A HA 0.750 5.069 4.320 -0.002 0.000 0.295 350 A C -1.224 176.390 177.584 0.051 0.000 1.067 350 A CA -0.728 51.162 52.037 -0.245 0.000 0.683 350 A CB 1.433 20.021 19.000 -0.686 0.000 1.281 350 A HN 1.403 nan 8.150 nan 0.000 0.407 351 V N 1.913 122.113 119.914 0.478 0.000 2.432 351 V HA 0.404 4.523 4.120 -0.002 0.000 0.275 351 V C 1.361 177.533 176.094 0.130 0.000 1.043 351 V CA 0.694 63.173 62.300 0.298 0.000 0.925 351 V CB 0.863 32.853 31.823 0.279 0.000 0.985 351 V HN 1.186 nan 8.190 nan 0.000 0.466 352 T N 0.727 115.241 114.554 -0.067 0.000 2.990 352 T HA 0.181 4.530 4.350 -0.002 0.000 0.250 352 T C 0.413 175.104 174.700 -0.015 0.000 1.041 352 T CA 0.054 62.143 62.100 -0.019 0.000 1.010 352 T CB 0.293 69.123 68.868 -0.062 0.000 1.003 352 T HN 0.555 nan 8.240 nan 0.000 0.499 353 Q N 1.813 121.574 119.800 -0.065 0.000 2.271 353 Q HA 0.440 4.779 4.340 -0.002 0.000 0.268 353 Q C -3.056 172.937 176.000 -0.013 0.000 1.021 353 Q CA -2.524 53.259 55.803 -0.034 0.000 0.802 353 Q CB 2.836 31.541 28.738 -0.057 0.000 1.282 353 Q HN 0.070 nan 8.270 nan 0.000 0.431 354 P HA 0.142 nan 4.420 nan 0.000 0.275 354 P C -0.906 176.415 177.300 0.036 0.000 1.266 354 P CA -0.246 62.867 63.100 0.022 0.000 0.793 354 P CB 0.869 32.581 31.700 0.020 0.000 1.074 355 R N 0.099 120.625 120.500 0.043 0.000 2.536 355 R HA 0.439 4.778 4.340 -0.002 0.000 0.279 355 R C -2.178 174.150 176.300 0.046 0.000 1.001 355 R CA -2.157 53.978 56.100 0.059 0.000 1.027 355 R CB -0.460 29.878 30.300 0.065 0.000 1.096 355 R HN 0.365 nan 8.270 nan 0.000 0.502 356 P HA -0.017 nan 4.420 nan 0.000 0.261 356 P C 0.638 177.959 177.300 0.036 0.000 1.183 356 P CA 0.960 64.084 63.100 0.040 0.000 0.761 356 P CB 0.306 32.041 31.700 0.057 0.000 0.785 357 G N 1.996 110.811 108.800 0.024 0.000 2.175 357 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.244 357 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.244 357 G C 0.468 175.379 174.900 0.019 0.000 0.982 357 G CA -0.042 45.072 45.100 0.022 0.000 0.641 357 G HN 0.845 nan 8.290 nan 0.000 0.527 358 A N -0.017 122.815 122.820 0.020 0.000 2.425 358 A HA 0.748 5.067 4.320 -0.002 0.000 0.242 358 A C 0.805 178.397 177.584 0.012 0.000 1.077 358 A CA 1.094 53.142 52.037 0.018 0.000 0.781 358 A CB 0.607 19.619 19.000 0.020 0.000 1.020 358 A HN 2.081 nan 8.150 nan 0.000 0.494 359 A N 1.824 124.650 122.820 0.010 0.000 2.399 359 A HA 0.540 4.859 4.320 -0.002 0.000 0.327 359 A C 0.045 177.632 177.584 0.005 0.000 1.367 359 A CA -0.194 51.847 52.037 0.006 0.000 0.842 359 A CB -0.251 18.752 19.000 0.005 0.000 1.142 359 A HN 1.971 nan 8.150 nan 0.000 0.495 360 V N 0.496 120.412 119.914 0.004 0.000 2.785 360 V HA 0.682 4.800 4.120 -0.002 0.000 0.300 360 V C -2.537 173.558 176.094 0.001 0.000 1.062 360 V CA -2.322 59.980 62.300 0.003 0.000 1.029 360 V CB 0.968 32.794 31.823 0.005 0.000 1.024 360 V HN 0.597 nan 8.190 nan 0.000 0.477 361 P HA 0.356 nan 4.420 nan 0.000 0.275 361 P C -2.713 174.586 177.300 -0.002 0.000 1.228 361 P CA -1.519 61.580 63.100 -0.002 0.000 0.786 361 P CB -0.227 31.470 31.700 -0.004 0.000 0.927 362 P HA 0.213 nan 4.420 nan 0.000 0.271 362 P C 0.853 178.150 177.300 -0.004 0.000 1.233 362 P CA 0.757 63.854 63.100 -0.004 0.000 0.789 362 P CB 0.034 31.732 31.700 -0.005 0.000 0.951 363 G N 0.494 109.292 108.800 -0.003 0.000 2.715 363 G HA2 -0.118 3.841 3.960 -0.002 0.000 0.221 363 G HA3 -0.118 3.841 3.960 -0.002 0.000 0.221 363 G C -1.038 173.861 174.900 -0.001 0.000 1.204 363 G CA -0.504 44.594 45.100 -0.003 0.000 1.063 363 G HN 0.550 nan 8.290 nan 0.000 0.586 364 E N 0.196 120.397 120.200 0.000 0.000 2.204 364 E HA 0.592 4.941 4.350 -0.002 0.000 0.276 364 E C -0.980 175.624 176.600 0.006 0.000 0.974 364 E CA -0.654 55.748 56.400 0.004 0.000 0.815 364 E CB 2.485 32.188 29.700 0.005 0.000 1.119 364 E HN 0.696 nan 8.360 nan 0.000 0.393 365 L N 0.955 122.185 121.223 0.010 0.000 2.409 365 L HA 0.365 4.703 4.340 -0.002 0.000 0.272 365 L C -0.942 175.941 176.870 0.022 0.000 0.980 365 L CA -0.178 54.670 54.840 0.014 0.000 0.826 365 L CB 2.220 44.286 42.059 0.013 0.000 1.268 365 L HN 0.282 nan 8.230 nan 0.000 0.407 366 T N 4.677 119.243 114.554 0.020 0.000 2.738 366 T HA 0.523 4.872 4.350 -0.002 0.000 0.298 366 T C -0.286 174.427 174.700 0.022 0.000 0.962 366 T CA -0.285 61.830 62.100 0.025 0.000 0.972 366 T CB 0.836 69.712 68.868 0.013 0.000 0.928 366 T HN 0.408 nan 8.240 nan 0.000 0.474 367 V N 5.334 125.283 119.914 0.058 0.000 2.465 367 V HA 0.474 4.592 4.120 -0.002 0.000 0.279 367 V C 0.192 176.260 176.094 -0.043 0.000 1.045 367 V CA -0.593 61.749 62.300 0.070 0.000 0.938 367 V CB 0.991 32.936 31.823 0.203 0.000 0.986 367 V HN 0.768 nan 8.190 nan 0.000 0.467 368 K N 2.606 122.813 120.400 -0.322 0.000 2.444 368 K HA 0.927 5.245 4.320 -0.002 0.000 0.252 368 K C -0.040 175.779 176.600 -1.302 0.000 0.993 368 K CA -0.714 55.112 56.287 -0.768 0.000 0.847 368 K CB 2.690 34.931 32.500 -0.433 0.000 1.340 368 K HN 0.888 nan 8.250 nan 0.000 0.446 369 G N 0.112 107.788 108.800 -1.873 0.000 2.427 369 G HA2 0.411 4.370 3.960 -0.002 0.000 0.306 369 G HA3 0.411 4.370 3.960 -0.002 0.000 0.306 369 G C -2.192 172.057 174.900 -1.084 0.000 1.280 369 G CA -0.680 43.611 45.100 -1.349 0.000 0.837 369 G HN 0.564 nan 8.290 nan 0.000 0.482 370 Y N -1.610 118.469 120.300 -0.367 0.000 2.602 370 Y HA 0.917 5.465 4.550 -0.002 0.000 0.342 370 Y C -0.193 175.918 175.900 0.351 0.000 1.029 370 Y CA -1.557 56.439 58.100 -0.174 0.000 1.080 370 Y CB 1.745 39.949 38.460 -0.426 0.000 1.284 370 Y HN 1.362 nan 8.280 nan 0.000 0.485 371 A N 1.396 124.581 122.820 0.608 0.000 2.549 371 A HA 0.737 5.056 4.320 -0.002 0.000 0.297 371 A C -2.256 175.708 177.584 0.633 0.000 1.061 371 A CA -0.554 51.798 52.037 0.526 0.000 0.690 371 A CB 1.181 20.383 19.000 0.336 0.000 1.287 371 A HN 1.097 nan 8.150 nan 0.000 0.402 372 W N 0.856 122.345 121.300 0.315 0.000 3.153 372 W HA 0.631 5.290 4.660 -0.002 0.000 0.316 372 W C -1.047 175.576 176.519 0.172 0.000 1.255 372 W CA 0.160 57.663 57.345 0.264 0.000 1.192 372 W CB 1.537 31.185 29.460 0.313 0.000 1.400 372 W HN 1.060 nan 8.180 nan 0.000 0.568 373 S N 1.713 116.983 115.700 -0.718 0.000 2.569 373 S HA 0.776 5.245 4.470 -0.002 0.000 0.280 373 S C -0.183 173.526 174.600 -1.484 0.000 1.111 373 S CA -0.055 57.695 58.200 -0.750 0.000 0.887 373 S CB 1.082 64.064 63.200 -0.363 0.000 1.095 373 S HN 0.996 nan 8.310 nan 0.000 0.476 374 G N 0.399 108.627 108.800 -0.953 0.000 2.588 374 G HA2 0.483 4.442 3.960 -0.002 0.000 0.281 374 G HA3 0.483 4.442 3.960 -0.002 0.000 0.281 374 G C 0.998 175.741 174.900 -0.261 0.000 1.236 374 G CA 0.019 44.733 45.100 -0.645 0.000 0.969 374 G HN 1.875 nan 8.290 nan 0.000 0.504 375 G N -1.985 106.826 108.800 0.018 0.000 2.179 375 G HA2 0.197 4.156 3.960 -0.002 0.000 0.257 375 G HA3 0.197 4.156 3.960 -0.002 0.000 0.257 375 G C 1.465 176.387 174.900 0.037 0.000 1.010 375 G CA 1.144 46.306 45.100 0.104 0.000 0.736 375 G HN 2.546 nan 8.290 nan 0.000 0.513 376 G N -1.467 107.301 108.800 -0.054 0.000 2.155 376 G HA2 -0.305 3.653 3.960 -0.002 0.000 0.257 376 G HA3 -0.305 3.653 3.960 -0.002 0.000 0.257 376 G C 0.397 175.045 174.900 -0.419 0.000 0.983 376 G CA 0.886 45.635 45.100 -0.585 0.000 0.676 376 G HN 1.042 nan 8.290 nan 0.000 0.528 377 R N 1.222 121.539 120.500 -0.306 0.000 2.248 377 R HA 0.390 4.729 4.340 -0.002 0.000 0.328 377 R C 0.947 177.087 176.300 -0.265 0.000 1.067 377 R CA 0.062 56.007 56.100 -0.258 0.000 0.924 377 R CB 0.498 30.670 30.300 -0.214 0.000 1.013 377 R HN 0.776 nan 8.270 nan 0.000 0.454 378 E N 1.593 121.662 120.200 -0.218 0.000 2.392 378 E HA 0.112 4.461 4.350 -0.002 0.000 0.259 378 E C -0.661 175.851 176.600 -0.146 0.000 1.108 378 E CA -0.726 55.577 56.400 -0.161 0.000 0.916 378 E CB 0.811 30.434 29.700 -0.128 0.000 0.989 378 E HN 0.110 nan 8.360 nan 0.000 0.432 379 V N 3.386 123.252 119.914 -0.080 0.000 2.455 379 V HA 0.007 4.126 4.120 -0.002 0.000 0.273 379 V C 1.042 177.082 176.094 -0.089 0.000 1.045 379 V CA 0.020 62.281 62.300 -0.065 0.000 0.976 379 V CB 0.894 32.734 31.823 0.030 0.000 0.993 379 V HN 0.737 nan 8.190 nan 0.000 0.475 380 V N 2.586 122.410 119.914 -0.149 0.000 3.644 380 V HA 0.463 4.581 4.120 -0.002 0.000 0.267 380 V C 0.675 176.696 176.094 -0.121 0.000 1.277 380 V CA 0.359 62.567 62.300 -0.153 0.000 1.096 380 V CB -0.256 31.416 31.823 -0.252 0.000 0.828 380 V HN 0.798 nan 8.190 nan 0.000 0.446 381 R N -0.719 119.705 120.500 -0.126 0.000 2.664 381 R HA 0.646 4.985 4.340 -0.002 0.000 0.260 381 R C -2.377 173.815 176.300 -0.179 0.000 1.062 381 R CA -0.413 55.610 56.100 -0.128 0.000 0.902 381 R CB 2.630 32.858 30.300 -0.121 0.000 1.258 381 R HN 0.068 nan 8.270 nan 0.000 0.465 382 V N 3.311 123.086 119.914 -0.232 0.000 2.443 382 V HA 0.329 4.448 4.120 -0.002 0.000 0.293 382 V C -0.940 174.917 176.094 -0.395 0.000 1.021 382 V CA -0.860 61.203 62.300 -0.395 0.000 0.848 382 V CB 1.836 33.257 31.823 -0.669 0.000 0.998 382 V HN 0.670 nan 8.190 nan 0.000 0.424 383 D N 3.342 123.505 120.400 -0.396 0.000 2.210 383 D HA 0.549 5.188 4.640 -0.002 0.000 0.249 383 D C -0.475 175.736 176.300 -0.148 0.000 1.078 383 D CA -0.010 53.822 54.000 -0.278 0.000 0.875 383 D CB 2.395 42.889 40.800 -0.510 0.000 1.175 383 D HN 0.261 nan 8.370 nan 0.000 0.440 384 V N 1.362 121.285 119.914 0.016 0.000 2.540 384 V HA 0.434 4.553 4.120 -0.002 0.000 0.302 384 V C 0.098 176.217 176.094 0.042 0.000 1.035 384 V CA -0.675 61.629 62.300 0.007 0.000 0.873 384 V CB 1.904 33.667 31.823 -0.099 0.000 0.992 384 V HN 0.499 nan 8.190 nan 0.000 0.428 385 S N 3.690 119.281 115.700 -0.183 0.000 2.532 385 S HA 0.705 5.174 4.470 -0.002 0.000 0.301 385 S C 0.215 174.645 174.600 -0.283 0.000 1.083 385 S CA -0.648 57.255 58.200 -0.495 0.000 1.025 385 S CB 1.487 63.936 63.200 -1.251 0.000 1.056 385 S HN 0.623 nan 8.310 nan 0.000 0.494 386 L N 2.150 123.229 121.223 -0.240 0.000 2.766 386 L HA 0.343 4.682 4.340 -0.002 0.000 0.242 386 L C 0.042 176.822 176.870 -0.150 0.000 1.136 386 L CA 0.020 54.773 54.840 -0.146 0.000 0.933 386 L CB 0.122 42.125 42.059 -0.092 0.000 1.241 386 L HN 0.668 nan 8.230 nan 0.000 0.522 387 D N -0.676 119.596 120.400 -0.213 0.000 2.788 387 D HA 0.229 4.868 4.640 -0.002 0.000 0.289 387 D C 1.097 177.289 176.300 -0.179 0.000 1.340 387 D CA -0.147 53.752 54.000 -0.168 0.000 0.831 387 D CB 0.384 41.090 40.800 -0.155 0.000 1.103 387 D HN 0.093 nan 8.370 nan 0.000 0.476 388 G N -0.215 108.476 108.800 -0.182 0.000 2.198 388 G HA2 -0.012 3.947 3.960 -0.002 0.000 0.260 388 G HA3 -0.012 3.947 3.960 -0.002 0.000 0.260 388 G C 1.116 175.925 174.900 -0.151 0.000 1.025 388 G CA 0.290 45.316 45.100 -0.123 0.000 0.769 388 G HN 1.497 nan 8.290 nan 0.000 0.507 389 G N -1.557 106.960 108.800 -0.471 0.000 2.141 389 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.231 389 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.231 389 G C 0.885 175.531 174.900 -0.424 0.000 0.984 389 G CA 1.071 45.795 45.100 -0.627 0.000 0.660 389 G HN 0.996 nan 8.290 nan 0.000 0.525 390 R N 0.396 120.662 120.500 -0.391 0.000 2.057 390 R HA 0.246 4.585 4.340 -0.002 0.000 0.224 390 R C 1.592 177.741 176.300 -0.251 0.000 1.136 390 R CA 1.980 57.966 56.100 -0.190 0.000 0.968 390 R CB 0.001 30.225 30.300 -0.126 0.000 0.863 390 R HN 0.609 nan 8.270 nan 0.000 0.433 391 T N -2.692 111.603 114.554 -0.432 0.000 2.908 391 T HA 0.548 4.897 4.350 -0.002 0.000 0.290 391 T C -1.127 173.227 174.700 -0.578 0.000 1.034 391 T CA -0.849 61.063 62.100 -0.313 0.000 1.010 391 T CB 1.515 70.294 68.868 -0.149 0.000 1.068 391 T HN 0.175 nan 8.240 nan 0.000 0.481 392 W N 0.481 121.726 121.300 -0.091 0.000 2.936 392 W HA 0.695 5.354 4.660 -0.002 0.000 0.338 392 W C -0.205 176.252 176.519 -0.102 0.000 1.121 392 W CA -0.927 56.343 57.345 -0.124 0.000 1.209 392 W CB 2.162 31.525 29.460 -0.162 0.000 1.420 392 W HN 0.608 nan 8.180 nan 0.000 0.516 393 K N 0.811 121.295 120.400 0.139 0.000 2.340 393 K HA 0.701 5.020 4.320 -0.002 0.000 0.244 393 K C -1.170 175.445 176.600 0.025 0.000 0.973 393 K CA -1.110 55.211 56.287 0.057 0.000 0.828 393 K CB 2.454 34.966 32.500 0.021 0.000 1.226 393 K HN 0.166 nan 8.250 nan 0.000 0.437 394 V N 2.170 122.081 119.914 -0.005 0.000 2.432 394 V HA 0.318 4.436 4.120 -0.002 0.000 0.275 394 V C 0.174 176.246 176.094 -0.036 0.000 1.043 394 V CA -0.633 61.641 62.300 -0.044 0.000 0.925 394 V CB 1.017 32.817 31.823 -0.038 0.000 0.985 394 V HN 0.901 nan 8.190 nan 0.000 0.466 395 A N 5.314 128.088 122.820 -0.078 0.000 2.304 395 A HA 0.591 4.910 4.320 -0.002 0.000 0.271 395 A C 0.363 177.971 177.584 0.040 0.000 1.091 395 A CA -0.506 51.530 52.037 -0.003 0.000 0.812 395 A CB 0.302 19.268 19.000 -0.057 0.000 1.056 395 A HN 0.870 nan 8.150 nan 0.000 0.489 396 R N 1.285 121.847 120.500 0.105 0.000 2.265 396 R HA 0.442 4.781 4.340 -0.002 0.000 0.314 396 R C -1.188 175.186 176.300 0.123 0.000 1.053 396 R CA -0.256 55.895 56.100 0.085 0.000 0.931 396 R CB 0.095 30.439 30.300 0.073 0.000 1.024 396 R HN 0.662 nan 8.270 nan 0.000 0.457 397 L N 6.219 127.491 121.223 0.082 0.000 2.265 397 L HA 0.303 4.641 4.340 -0.002 0.000 0.288 397 L C 0.152 177.057 176.870 0.058 0.000 1.058 397 L CA -0.641 54.257 54.840 0.096 0.000 0.809 397 L CB 1.282 43.377 42.059 0.060 0.000 1.179 397 L HN 0.553 nan 8.230 nan 0.000 0.429 398 M N 2.022 121.657 119.600 0.059 0.000 2.513 398 M HA 0.726 5.205 4.480 -0.002 0.000 0.291 398 M C 0.604 176.888 176.300 -0.027 0.000 1.190 398 M CA -0.452 54.851 55.300 0.004 0.000 0.960 398 M CB 1.006 33.601 32.600 -0.008 0.000 1.517 398 M HN 0.695 nan 8.290 nan 0.000 0.499 399 G N 0.841 109.575 108.800 -0.110 0.000 2.603 399 G HA2 -0.065 3.893 3.960 -0.002 0.000 0.686 399 G HA3 -0.065 3.893 3.960 -0.002 0.000 0.686 399 G C -1.694 173.098 174.900 -0.181 0.000 1.286 399 G CA -0.910 44.042 45.100 -0.246 0.000 0.871 399 G HN 0.657 nan 8.290 nan 0.000 0.568 400 D N 0.314 120.576 120.400 -0.231 0.000 2.198 400 D HA 0.545 5.184 4.640 -0.002 0.000 0.247 400 D C 0.580 176.839 176.300 -0.068 0.000 1.010 400 D CA -0.433 53.491 54.000 -0.127 0.000 0.880 400 D CB 1.775 42.501 40.800 -0.123 0.000 1.209 400 D HN 0.462 nan 8.370 nan 0.000 0.451 401 K N 0.343 120.716 120.400 -0.044 0.000 2.414 401 K HA 0.429 4.748 4.320 -0.002 0.000 0.272 401 K C -0.405 176.182 176.600 -0.023 0.000 0.993 401 K CA -0.069 56.200 56.287 -0.031 0.000 0.964 401 K CB 0.649 33.130 32.500 -0.033 0.000 0.925 401 K HN 0.460 nan 8.250 nan 0.000 0.487 402 A N 3.988 126.789 122.820 -0.032 0.000 2.350 402 A HA 0.669 4.988 4.320 -0.002 0.000 0.318 402 A C -2.479 175.062 177.584 -0.072 0.000 1.132 402 A CA -1.704 50.309 52.037 -0.040 0.000 0.811 402 A CB 0.513 19.478 19.000 -0.059 0.000 1.313 402 A HN 0.602 nan 8.150 nan 0.000 0.454 403 P HA 0.289 nan 4.420 nan 0.000 0.268 403 P C -2.556 174.667 177.300 -0.129 0.000 1.205 403 P CA -0.730 62.324 63.100 -0.077 0.000 0.771 403 P CB -0.369 31.302 31.700 -0.049 0.000 0.858 404 P HA -0.047 nan 4.420 nan 0.000 0.261 404 P C 1.072 178.273 177.300 -0.165 0.000 1.173 404 P CA 1.305 64.331 63.100 -0.122 0.000 0.760 404 P CB -0.009 31.643 31.700 -0.081 0.000 0.783 405 G N 3.221 111.890 108.800 -0.218 0.000 2.184 405 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.264 405 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.264 405 G C 0.708 175.294 174.900 -0.524 0.000 0.975 405 G CA 0.054 44.995 45.100 -0.266 0.000 0.642 405 G HN 0.590 nan 8.290 nan 0.000 0.536 406 R N -0.020 120.099 120.500 -0.636 0.000 2.659 406 R HA 0.537 4.876 4.340 -0.002 0.000 0.418 406 R C 0.839 176.420 176.300 -1.198 0.000 1.076 406 R CA 0.366 55.770 56.100 -1.160 0.000 1.093 406 R CB 0.867 30.882 30.300 -0.476 0.000 1.400 406 R HN 0.455 nan 8.270 nan 0.000 0.583 407 A N 0.479 122.822 122.820 -0.794 0.000 2.915 407 A HA 0.098 4.416 4.320 -0.002 0.000 0.292 407 A C 0.100 177.555 177.584 -0.215 0.000 1.632 407 A CA -0.522 51.291 52.037 -0.373 0.000 1.337 407 A CB -0.559 18.314 19.000 -0.213 0.000 1.111 407 A HN 0.605 nan 8.150 nan 0.000 0.569 408 W N 2.166 123.562 121.300 0.159 0.000 2.863 408 W HA 0.334 4.993 4.660 -0.002 0.000 0.258 408 W C 1.168 177.939 176.519 0.420 0.000 1.298 408 W CA 0.281 57.779 57.345 0.255 0.000 1.451 408 W CB 0.359 29.930 29.460 0.186 0.000 1.107 408 W HN 0.658 nan 8.180 nan 0.000 0.641 409 A N 0.921 124.064 122.820 0.537 0.000 2.312 409 A HA 0.490 4.809 4.320 -0.002 0.000 0.328 409 A C -0.479 177.523 177.584 0.697 0.000 1.158 409 A CA -0.832 51.491 52.037 0.476 0.000 0.821 409 A CB 0.099 19.364 19.000 0.442 0.000 1.170 409 A HN 0.201 nan 8.150 nan 0.000 0.490 410 W N 0.830 122.407 121.300 0.462 0.000 2.089 410 W HA 0.510 5.169 4.660 -0.002 0.000 0.355 410 W C -0.073 176.707 176.519 0.435 0.000 1.305 410 W CA -1.136 56.495 57.345 0.477 0.000 1.281 410 W CB -0.500 29.100 29.460 0.233 0.000 1.183 410 W HN 0.903 nan 8.180 nan 0.000 0.604 411 A N 3.431 126.590 122.820 0.564 0.000 2.273 411 A HA 0.640 4.959 4.320 -0.002 0.000 0.315 411 A C -0.685 177.011 177.584 0.186 0.000 1.256 411 A CA -0.934 51.307 52.037 0.339 0.000 0.851 411 A CB 0.158 19.313 19.000 0.259 0.000 1.172 411 A HN 0.681 nan 8.150 nan 0.000 0.508 412 L N 3.897 125.139 121.223 0.033 0.000 2.349 412 L HA 0.459 4.797 4.340 -0.002 0.000 0.275 412 L C 0.028 176.915 176.870 0.028 0.000 1.115 412 L CA -0.395 54.359 54.840 -0.142 0.000 0.820 412 L CB 0.605 42.533 42.059 -0.219 0.000 1.135 412 L HN 0.857 nan 8.230 nan 0.000 0.445 413 W N 3.253 124.516 121.300 -0.062 0.000 2.902 413 W HA 0.745 5.404 4.660 -0.002 0.000 0.346 413 W C -0.994 175.504 176.519 -0.036 0.000 1.139 413 W CA -0.837 56.486 57.345 -0.038 0.000 1.139 413 W CB 1.587 31.030 29.460 -0.029 0.000 1.439 413 W HN 0.671 nan 8.180 nan 0.000 0.558 414 E N 1.091 121.498 120.200 0.346 0.000 2.412 414 E HA 0.711 5.060 4.350 -0.002 0.000 0.279 414 E C -2.538 174.235 176.600 0.289 0.000 0.984 414 E CA -1.065 55.462 56.400 0.211 0.000 0.788 414 E CB 2.664 32.379 29.700 0.026 0.000 1.277 414 E HN 0.419 nan 8.360 nan 0.000 0.455 415 L N 1.001 122.367 121.223 0.238 0.000 2.562 415 L HA 0.460 4.799 4.340 -0.002 0.000 0.266 415 L C -1.568 175.366 176.870 0.106 0.000 0.949 415 L CA 0.130 55.070 54.840 0.167 0.000 0.879 415 L CB 2.509 44.676 42.059 0.181 0.000 1.278 415 L HN 0.740 nan 8.230 nan 0.000 0.404 416 T N 4.100 118.693 114.554 0.066 0.000 2.767 416 T HA 0.695 5.044 4.350 -0.002 0.000 0.288 416 T C -0.911 173.809 174.700 0.034 0.000 0.963 416 T CA -0.273 61.853 62.100 0.044 0.000 1.019 416 T CB 1.451 70.337 68.868 0.030 0.000 0.923 416 T HN 0.494 nan 8.240 nan 0.000 0.468 417 V N 5.509 125.439 119.914 0.027 0.000 2.925 417 V HA 0.666 4.785 4.120 -0.002 0.000 0.311 417 V C -2.556 173.543 176.094 0.008 0.000 1.104 417 V CA -2.682 59.628 62.300 0.016 0.000 0.954 417 V CB 2.743 34.575 31.823 0.015 0.000 1.022 417 V HN 0.647 nan 8.190 nan 0.000 0.427 418 P HA 0.327 nan 4.420 nan 0.000 0.281 418 P C -0.988 176.309 177.300 -0.004 0.000 1.252 418 P CA 0.047 63.146 63.100 -0.001 0.000 0.778 418 P CB 1.302 33.001 31.700 -0.003 0.000 0.895 419 V N 0.319 120.231 119.914 -0.004 0.000 2.604 419 V HA 0.531 4.650 4.120 -0.002 0.000 0.305 419 V C -0.106 175.984 176.094 -0.007 0.000 1.043 419 V CA -0.972 61.324 62.300 -0.007 0.000 0.888 419 V CB 2.029 33.849 31.823 -0.005 0.000 0.995 419 V HN 0.370 nan 8.190 nan 0.000 0.429 420 E N 2.623 122.817 120.200 -0.009 0.000 2.249 420 E HA 0.607 4.955 4.350 -0.002 0.000 0.280 420 E C 0.312 176.908 176.600 -0.008 0.000 1.016 420 E CA -0.514 55.880 56.400 -0.009 0.000 0.830 420 E CB 1.928 31.622 29.700 -0.010 0.000 1.081 420 E HN 1.096 nan 8.360 nan 0.000 0.395 421 A N 1.880 124.697 122.820 -0.007 0.000 2.561 421 A HA 0.299 4.618 4.320 -0.002 0.000 0.234 421 A C 1.259 178.839 177.584 -0.006 0.000 1.055 421 A CA 0.807 52.840 52.037 -0.006 0.000 0.756 421 A CB -0.413 18.584 19.000 -0.005 0.000 0.986 421 A HN 0.884 nan 8.150 nan 0.000 0.505 422 G N 1.981 110.778 108.800 -0.005 0.000 2.203 422 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.263 422 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.263 422 G C 0.367 175.263 174.900 -0.007 0.000 1.012 422 G CA 0.838 45.934 45.100 -0.005 0.000 0.749 422 G HN 1.332 nan 8.290 nan 0.000 0.512 423 T N 0.073 114.622 114.554 -0.008 0.000 2.936 423 T HA 0.649 4.998 4.350 -0.002 0.000 0.282 423 T C -0.352 174.342 174.700 -0.011 0.000 1.003 423 T CA -0.702 61.391 62.100 -0.011 0.000 1.005 423 T CB 2.049 70.909 68.868 -0.014 0.000 1.097 423 T HN 0.185 nan 8.240 nan 0.000 0.532 424 E N 1.606 121.798 120.200 -0.014 0.000 2.191 424 E HA 0.470 4.819 4.350 -0.002 0.000 0.263 424 E C -0.929 175.658 176.600 -0.021 0.000 0.881 424 E CA -0.449 55.943 56.400 -0.014 0.000 0.757 424 E CB 2.002 31.694 29.700 -0.012 0.000 1.147 424 E HN 0.452 nan 8.360 nan 0.000 0.414 425 L N 1.085 122.295 121.223 -0.022 0.000 2.330 425 L HA 0.492 4.831 4.340 -0.002 0.000 0.271 425 L C 0.308 177.157 176.870 -0.035 0.000 1.013 425 L CA -0.780 54.040 54.840 -0.033 0.000 0.816 425 L CB 1.722 43.763 42.059 -0.030 0.000 1.287 425 L HN 0.405 nan 8.230 nan 0.000 0.435 426 E N 2.671 122.840 120.200 -0.051 0.000 2.255 426 E HA 0.404 4.753 4.350 -0.002 0.000 0.245 426 E C -1.185 175.372 176.600 -0.073 0.000 0.909 426 E CA -0.465 55.905 56.400 -0.050 0.000 0.747 426 E CB 1.024 30.700 29.700 -0.040 0.000 1.215 426 E HN 0.493 nan 8.360 nan 0.000 0.424 427 I N 4.173 124.708 120.570 -0.059 0.000 2.416 427 I HA 0.221 4.390 4.170 -0.002 0.000 0.288 427 I C -0.363 175.725 176.117 -0.048 0.000 1.051 427 I CA -0.580 60.688 61.300 -0.053 0.000 1.375 427 I CB 1.206 39.202 38.000 -0.007 0.000 1.407 427 I HN 0.215 nan 8.210 nan 0.000 0.516 428 V N 5.547 125.427 119.914 -0.056 0.000 2.789 428 V HA 0.491 4.610 4.120 -0.002 0.000 0.311 428 V C -0.297 175.840 176.094 0.072 0.000 1.073 428 V CA -0.692 61.619 62.300 0.018 0.000 0.921 428 V CB 1.889 33.701 31.823 -0.017 0.000 1.009 428 V HN 0.995 nan 8.190 nan 0.000 0.426 429 C N 2.996 122.357 119.300 0.101 0.000 2.802 429 C HA 1.022 5.481 4.460 -0.002 0.000 0.307 429 C C -0.871 174.049 174.990 -0.117 0.000 1.222 429 C CA -0.922 58.068 59.018 -0.048 0.000 1.580 429 C CB 1.490 29.144 27.740 -0.145 0.000 2.119 429 C HN 1.094 nan 8.230 nan 0.000 0.479 430 K N 1.945 122.152 120.400 -0.320 0.000 2.542 430 K HA 0.833 5.152 4.320 -0.002 0.000 0.259 430 K C -1.103 175.311 176.600 -0.311 0.000 0.932 430 K CA -0.383 55.704 56.287 -0.334 0.000 0.820 430 K CB 1.853 33.950 32.500 -0.673 0.000 1.345 430 K HN 1.236 nan 8.250 nan 0.000 0.432 431 A N 1.741 124.461 122.820 -0.166 0.000 2.354 431 A HA 0.792 5.110 4.320 -0.002 0.000 0.321 431 A C -1.022 176.496 177.584 -0.110 0.000 1.125 431 A CA -0.848 51.101 52.037 -0.148 0.000 0.799 431 A CB 1.704 20.667 19.000 -0.060 0.000 1.293 431 A HN 0.401 nan 8.150 nan 0.000 0.452 432 V N 2.138 121.977 119.914 -0.124 0.000 2.588 432 V HA 0.445 4.563 4.120 -0.002 0.000 0.304 432 V C -0.738 175.259 176.094 -0.162 0.000 1.042 432 V CA -0.637 61.591 62.300 -0.119 0.000 0.877 432 V CB 1.713 33.464 31.823 -0.120 0.000 0.996 432 V HN 1.111 nan 8.190 nan 0.000 0.425 433 D N 2.451 122.750 120.400 -0.169 0.000 2.549 433 D HA 0.251 4.889 4.640 -0.002 0.000 0.270 433 D C 1.171 177.277 176.300 -0.324 0.000 1.181 433 D CA 0.000 53.876 54.000 -0.206 0.000 1.070 433 D CB 1.156 41.855 40.800 -0.169 0.000 1.154 433 D HN 0.429 nan 8.370 nan 0.000 0.602 434 S N -1.538 113.992 115.700 -0.284 0.000 2.561 434 S HA -0.061 4.407 4.470 -0.002 0.000 0.225 434 S C 1.248 175.710 174.600 -0.231 0.000 0.977 434 S CA 0.532 58.540 58.200 -0.319 0.000 0.926 434 S CB -0.813 62.256 63.200 -0.218 0.000 0.769 434 S HN 0.514 nan 8.310 nan 0.000 0.533 435 S N -0.704 114.912 115.700 -0.141 0.000 2.572 435 S HA 0.284 4.753 4.470 -0.002 0.000 0.228 435 S C 0.003 174.663 174.600 0.099 0.000 0.963 435 S CA -0.706 57.488 58.200 -0.010 0.000 0.939 435 S CB -1.000 62.190 63.200 -0.017 0.000 0.804 435 S HN 0.405 nan 8.310 nan 0.000 0.480 436 Y N 1.135 121.405 120.300 -0.050 0.000 3.589 436 Y HA -0.217 4.332 4.550 -0.002 0.000 0.218 436 Y C 0.298 176.173 175.900 -0.042 0.000 1.234 436 Y CA 0.086 58.156 58.100 -0.049 0.000 1.576 436 Y CB -2.595 35.837 38.460 -0.045 0.000 1.487 436 Y HN 0.409 nan 8.280 nan 0.000 0.616 437 N N 0.436 119.158 118.700 0.037 0.000 2.482 437 N HA 0.547 5.286 4.740 -0.002 0.000 0.260 437 N C 0.138 175.663 175.510 0.024 0.000 1.236 437 N CA 0.574 53.641 53.050 0.028 0.000 0.938 437 N CB 1.480 39.966 38.487 -0.002 0.000 1.128 437 N HN 0.193 nan 8.380 nan 0.000 0.448 438 V N -1.197 118.742 119.914 0.041 0.000 3.102 438 V HA 0.509 4.628 4.120 -0.002 0.000 0.312 438 V C -0.494 175.654 176.094 0.090 0.000 1.135 438 V CA -1.026 61.303 62.300 0.048 0.000 1.022 438 V CB 1.916 33.769 31.823 0.050 0.000 1.056 438 V HN 0.481 nan 8.190 nan 0.000 0.436 439 Q N 2.386 122.275 119.800 0.148 0.000 2.235 439 Q HA 0.523 4.862 4.340 -0.002 0.000 0.250 439 Q C -2.518 173.653 176.000 0.284 0.000 0.909 439 Q CA -1.811 54.125 55.803 0.222 0.000 0.910 439 Q CB 1.902 30.826 28.738 0.311 0.000 1.223 439 Q HN 0.688 nan 8.270 nan 0.000 0.432 440 P HA 0.059 nan 4.420 nan 0.000 0.277 440 P C -0.679 176.294 177.300 -0.545 0.000 1.240 440 P CA -0.223 62.823 63.100 -0.090 0.000 0.798 440 P CB 1.001 32.659 31.700 -0.070 0.000 0.979 441 D N 0.037 119.963 120.400 -0.790 0.000 2.117 441 D HA -0.088 4.551 4.640 -0.002 0.000 0.197 441 D C 0.990 176.720 176.300 -0.950 0.000 0.987 441 D CA 1.678 54.692 54.000 -1.643 0.000 0.829 441 D CB -0.225 39.969 40.800 -1.011 0.000 0.961 441 D HN 0.504 nan 8.370 nan 0.000 0.460 442 S N -1.488 113.941 115.700 -0.452 0.000 2.632 442 S HA 0.470 4.939 4.470 -0.002 0.000 0.289 442 S C 0.648 175.193 174.600 -0.092 0.000 1.115 442 S CA -0.893 57.173 58.200 -0.224 0.000 0.889 442 S CB 2.107 65.212 63.200 -0.158 0.000 1.116 442 S HN -0.142 nan 8.310 nan 0.000 0.486 443 V N 1.349 121.257 119.914 -0.011 0.000 2.649 443 V HA 0.061 4.179 4.120 -0.002 0.000 0.248 443 V C 2.919 179.082 176.094 0.115 0.000 1.054 443 V CA 1.788 64.131 62.300 0.072 0.000 1.073 443 V CB -1.440 30.455 31.823 0.120 0.000 0.699 443 V HN 1.015 nan 8.190 nan 0.000 0.463 444 A N 1.213 124.073 122.820 0.067 0.000 1.892 444 A HA -0.167 4.152 4.320 -0.002 0.000 0.218 444 A C 0.518 178.158 177.584 0.092 0.000 1.188 444 A CA 2.349 54.424 52.037 0.063 0.000 0.631 444 A CB -1.965 17.027 19.000 -0.014 0.000 0.822 444 A HN 0.570 nan 8.150 nan 0.000 0.447 445 P HA -0.026 nan 4.420 nan 0.000 0.226 445 P C 0.966 178.314 177.300 0.080 0.000 1.153 445 P CA 0.922 64.052 63.100 0.050 0.000 0.777 445 P CB -0.166 31.540 31.700 0.009 0.000 0.794 446 I N -7.466 113.165 120.570 0.101 0.000 3.974 446 I HA 0.370 4.539 4.170 -0.002 0.000 0.334 446 I C 0.476 176.686 176.117 0.155 0.000 1.437 446 I CA -0.903 60.456 61.300 0.100 0.000 1.113 446 I CB -0.410 37.628 38.000 0.064 0.000 1.063 446 I HN -0.233 nan 8.210 nan 0.000 0.400 447 W N 4.252 125.561 121.300 0.015 0.000 2.148 447 W HA 0.300 4.959 4.660 -0.002 0.000 0.347 447 W C -0.020 176.513 176.519 0.024 0.000 1.288 447 W CA 0.572 57.932 57.345 0.025 0.000 1.252 447 W CB 0.523 29.993 29.460 0.018 0.000 1.156 447 W HN 0.475 nan 8.180 nan 0.000 0.580 448 N N 3.460 121.761 118.700 -0.664 0.000 2.598 448 N HA 0.179 4.918 4.740 -0.002 0.000 0.263 448 N C 0.392 175.127 175.510 -1.292 0.000 1.254 448 N CA -0.602 52.063 53.050 -0.643 0.000 0.863 448 N CB 0.930 39.294 38.487 -0.205 0.000 1.586 448 N HN 0.523 nan 8.380 nan 0.000 0.491 449 L N -2.619 118.012 121.223 -0.987 0.000 2.263 449 L HA 0.032 4.371 4.340 -0.002 0.000 0.216 449 L C 1.192 177.795 176.870 -0.444 0.000 1.111 449 L CA 1.145 55.457 54.840 -0.880 0.000 0.773 449 L CB -0.347 41.032 42.059 -1.133 0.000 0.906 449 L HN 0.526 nan 8.230 nan 0.000 0.439 450 R N 0.843 121.170 120.500 -0.289 0.000 2.312 450 R HA 0.170 4.509 4.340 -0.002 0.000 0.205 450 R C 1.262 177.544 176.300 -0.030 0.000 0.904 450 R CA 0.721 56.819 56.100 -0.004 0.000 1.052 450 R CB 0.230 30.600 30.300 0.117 0.000 1.014 450 R HN 0.634 nan 8.270 nan 0.000 0.503 451 G N 1.812 110.481 108.800 -0.219 0.000 2.198 451 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.260 451 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.260 451 G C 0.407 175.309 174.900 0.003 0.000 1.025 451 G CA 0.629 45.641 45.100 -0.147 0.000 0.769 451 G HN 0.271 nan 8.290 nan 0.000 0.507 452 V N -2.861 117.064 119.914 0.019 0.000 3.369 452 V HA 0.780 4.899 4.120 -0.002 0.000 0.309 452 V C 1.687 177.816 176.094 0.058 0.000 1.069 452 V CA -0.462 61.894 62.300 0.094 0.000 1.042 452 V CB 1.258 33.174 31.823 0.156 0.000 1.192 452 V HN 1.104 nan 8.190 nan 0.000 0.447 453 L N -0.036 121.235 121.223 0.081 0.000 3.713 453 L HA -0.146 4.193 4.340 -0.002 0.000 0.499 453 L C 0.525 177.436 176.870 0.069 0.000 1.281 453 L CA 0.966 55.850 54.840 0.073 0.000 0.796 453 L CB -1.473 40.615 42.059 0.049 0.000 1.535 453 L HN 0.965 nan 8.230 nan 0.000 0.851 454 S N 0.214 115.963 115.700 0.081 0.000 2.464 454 S HA 0.499 4.968 4.470 -0.002 0.000 0.313 454 S C 0.926 175.591 174.600 0.108 0.000 1.078 454 S CA 0.181 58.436 58.200 0.090 0.000 1.096 454 S CB 0.380 63.637 63.200 0.095 0.000 1.032 454 S HN 0.463 nan 8.310 nan 0.000 0.498 455 T N 1.292 115.913 114.554 0.112 0.000 3.337 455 T HA 0.549 4.898 4.350 -0.002 0.000 0.299 455 T C 0.502 175.292 174.700 0.150 0.000 0.998 455 T CA -0.053 62.130 62.100 0.139 0.000 0.948 455 T CB 0.213 69.164 68.868 0.139 0.000 1.170 455 T HN 0.582 nan 8.240 nan 0.000 0.508 456 A N 1.162 124.052 122.820 0.118 0.000 2.386 456 A HA 0.509 4.828 4.320 -0.002 0.000 0.246 456 A C 0.237 177.958 177.584 0.229 0.000 1.089 456 A CA -0.667 51.412 52.037 0.071 0.000 0.790 456 A CB -0.075 18.925 19.000 -0.001 0.000 1.042 456 A HN 0.525 nan 8.150 nan 0.000 0.497 457 W N 0.650 122.026 121.300 0.125 0.000 2.257 457 W HA 0.092 4.751 4.660 -0.002 0.000 0.337 457 W C 0.898 177.537 176.519 0.201 0.000 1.321 457 W CA 0.138 57.576 57.345 0.155 0.000 1.267 457 W CB -0.677 28.891 29.460 0.180 0.000 1.187 457 W HN 0.686 nan 8.180 nan 0.000 0.565 458 H N 3.914 123.172 119.070 0.313 0.000 2.690 458 H HA 0.310 4.865 4.556 -0.002 0.000 0.314 458 H C -0.288 175.165 175.328 0.208 0.000 1.069 458 H CA -0.300 55.873 56.048 0.209 0.000 1.436 458 H CB 0.521 30.370 29.762 0.145 0.000 1.462 458 H HN 0.292 nan 8.280 nan 0.000 0.511 459 R N 4.143 124.621 120.500 -0.037 0.000 2.437 459 R HA 0.397 4.735 4.340 -0.002 0.000 0.310 459 R C -1.294 174.861 176.300 -0.241 0.000 0.955 459 R CA -0.896 55.154 56.100 -0.084 0.000 0.851 459 R CB 2.325 32.659 30.300 0.057 0.000 1.161 459 R HN 0.261 nan 8.270 nan 0.000 0.446 460 V N 4.161 123.949 119.914 -0.210 0.000 2.443 460 V HA 0.391 4.510 4.120 -0.002 0.000 0.293 460 V C -0.197 175.859 176.094 -0.063 0.000 1.021 460 V CA -0.851 61.356 62.300 -0.156 0.000 0.848 460 V CB 1.634 33.355 31.823 -0.170 0.000 0.998 460 V HN 0.673 nan 8.190 nan 0.000 0.424 461 R N 3.490 123.972 120.500 -0.031 0.000 2.312 461 R HA 0.806 5.145 4.340 -0.002 0.000 0.311 461 R C -0.606 175.690 176.300 -0.006 0.000 1.004 461 R CA -0.470 55.621 56.100 -0.016 0.000 0.902 461 R CB 1.931 32.229 30.300 -0.005 0.000 1.073 461 R HN 0.638 nan 8.270 nan 0.000 0.457 462 V N -1.346 118.564 119.914 -0.007 0.000 3.159 462 V HA 0.750 4.869 4.120 -0.002 0.000 0.308 462 V C -0.515 175.577 176.094 -0.003 0.000 1.190 462 V CA -0.960 61.340 62.300 -0.001 0.000 1.037 462 V CB 2.134 33.958 31.823 0.002 0.000 1.060 462 V HN 0.856 nan 8.190 nan 0.000 0.437 463 S N 0.485 116.185 115.700 -0.000 0.000 2.600 463 S HA 0.887 5.355 4.470 -0.002 0.000 0.300 463 S C -0.754 173.845 174.600 -0.002 0.000 1.087 463 S CA -0.734 57.465 58.200 -0.002 0.000 0.965 463 S CB 1.750 64.949 63.200 -0.001 0.000 1.089 463 S HN 1.388 nan 8.310 nan 0.000 0.496 464 V N 2.494 122.406 119.914 -0.004 0.000 2.427 464 V HA 0.360 4.478 4.120 -0.002 0.000 0.286 464 V C 0.219 176.311 176.094 -0.003 0.000 1.034 464 V CA -0.774 61.524 62.300 -0.003 0.000 0.893 464 V CB 1.172 32.992 31.823 -0.005 0.000 0.982 464 V HN 0.964 nan 8.190 nan 0.000 0.452 465 Q N 2.251 122.050 119.800 -0.002 0.000 2.269 465 Q HA 0.208 4.547 4.340 -0.002 0.000 0.300 465 Q C 0.637 176.635 176.000 -0.003 0.000 1.070 465 Q CA 0.870 56.672 55.803 -0.002 0.000 0.957 465 Q CB 0.217 28.954 28.738 -0.002 0.000 1.131 465 Q HN 0.948 nan 8.270 nan 0.000 0.377 466 D N 0.000 120.398 120.400 -0.003 0.000 6.856 466 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 466 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 466 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 466 D HN 0.000 nan 8.370 nan 0.000 0.683