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 2ih9_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPTcNTPSNR AcWSDGFDIN TDYEVSTPDT GVTQSYVFNL TEVDNWMGPD DATA SEQUENCE GVVKEKVMLI NGNIMGPNIV ANWGDTVEVT VINNLVTNGT SIHWHGIHQK DATA SEQUENCE DTNLHDGANG VTEcPIPPKG GQRTYRWRAR QYGTSWYHSH FSAQYGNGVV DATA SEQUENCE GTIQINGPAS LPYDIDLGVF PITDYYYRAA DDLVHFTQNN APPFSDNVLI DATA SEQUENCE NGTAVNPNTG EGQYANVTLT PGKRHRLRIL NTSTENHFQV SLVNHTMTVI DATA SEQUENCE AADMVPVNAM TVDSLFLAVG QRYDVVIDAS RAPDNYWFNV TFGGQAAcGG DATA SEQUENCE SLNPHPAAIF HYAGAPGGLP TDEGTPPVDH QcLDTLDVRP VVPRSVPVNS DATA SEQUENCE FVKRPDNTLP VALDLTGTPL FVWKVNGSDI NVDWGKPIID YILTGNTSYP DATA SEQUENCE VSDNIVQVDA VDQWTYWLIE NDPEGPFSLP HPMHLHGHDF LVLGRSPDVP DATA SEQUENCE AASQQRFVFD PAVDLARLNG DNPPRRDTTM LPAGGWLLLA FRTDNPGAWL DATA SEQUENCE FHCHIAWHVS GGLSVDFLER PADLRQRISQ EDEDDFNRVc DEWRAYWPTN DATA SEQUENCE PYPKIDSGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.320 176.600 -0.467 0.000 1.382 1 E CA 0.000 56.306 56.400 -0.157 0.000 0.976 1 E CB 0.000 29.631 29.700 -0.114 0.000 0.812 2 P HA 0.146 nan 4.420 nan 0.000 0.274 2 P C 0.174 177.179 177.300 -0.492 0.000 1.256 2 P CA -0.058 62.418 63.100 -1.041 0.000 0.795 2 P CB 1.125 31.966 31.700 -1.432 0.000 1.038 3 T N -4.652 109.677 114.554 -0.375 0.000 3.046 3 T HA 0.094 4.442 4.350 -0.002 0.000 0.270 3 T C 0.971 175.586 174.700 -0.142 0.000 0.920 3 T CA 0.313 62.291 62.100 -0.203 0.000 0.874 3 T CB -0.974 67.811 68.868 -0.138 0.000 1.214 3 T HN 0.623 nan 8.240 nan 0.000 0.536 4 c N 0.299 118.813 118.600 -0.143 0.000 3.596 4 c HA 0.493 5.062 4.570 -0.002 0.000 0.268 4 c C 0.243 174.310 174.090 -0.038 0.000 1.912 4 c CA -1.235 55.054 56.329 -0.066 0.000 1.721 4 c CB -1.708 40.790 42.510 -0.020 0.000 3.328 4 c HN 0.464 nan 8.230 nan 0.000 0.500 5 N N 3.198 121.856 118.700 -0.071 0.000 2.469 5 N HA 0.327 5.066 4.740 -0.002 0.000 0.239 5 N C -0.262 175.224 175.510 -0.040 0.000 1.053 5 N CA 0.658 53.709 53.050 0.001 0.000 0.937 5 N CB 0.995 39.536 38.487 0.089 0.000 1.163 5 N HN 0.770 nan 8.380 nan 0.000 0.509 6 T N 0.621 115.145 114.554 -0.050 0.000 2.942 6 T HA 0.411 4.759 4.350 -0.002 0.000 0.289 6 T C -2.111 172.522 174.700 -0.111 0.000 1.044 6 T CA -1.790 60.270 62.100 -0.068 0.000 1.023 6 T CB 1.967 70.804 68.868 -0.052 0.000 1.123 6 T HN 0.080 nan 8.240 nan 0.000 0.512 7 P HA -0.016 nan 4.420 nan 0.000 0.223 7 P C 1.397 178.620 177.300 -0.128 0.000 1.144 7 P CA 0.684 63.690 63.100 -0.156 0.000 0.783 7 P CB 0.158 31.798 31.700 -0.100 0.000 0.771 8 S N -1.935 113.715 115.700 -0.083 0.000 2.486 8 S HA 0.064 4.533 4.470 -0.002 0.000 0.220 8 S C 0.843 175.415 174.600 -0.046 0.000 1.011 8 S CA 0.043 58.210 58.200 -0.054 0.000 0.921 8 S CB -0.434 62.745 63.200 -0.034 0.000 0.785 8 S HN -0.032 nan 8.310 nan 0.000 0.517 9 N N 1.056 119.724 118.700 -0.053 0.000 2.727 9 N HA 0.331 5.070 4.740 -0.002 0.000 0.252 9 N C 0.208 175.700 175.510 -0.029 0.000 1.283 9 N CA -0.347 52.688 53.050 -0.026 0.000 0.782 9 N CB 0.485 38.969 38.487 -0.004 0.000 1.199 9 N HN 0.005 nan 8.380 nan 0.000 0.520 10 R N 0.808 121.272 120.500 -0.058 0.000 2.240 10 R HA 0.190 4.529 4.340 -0.002 0.000 0.203 10 R C 1.432 177.763 176.300 0.052 0.000 1.011 10 R CA 0.527 56.594 56.100 -0.056 0.000 1.007 10 R CB -0.373 29.819 30.300 -0.180 0.000 0.911 10 R HN 0.498 nan 8.270 nan 0.000 0.468 11 A N 0.392 123.248 122.820 0.060 0.000 2.015 11 A HA -0.104 4.215 4.320 -0.002 0.000 0.219 11 A C 1.231 178.894 177.584 0.131 0.000 1.163 11 A CA 0.643 52.734 52.037 0.090 0.000 0.646 11 A CB -0.286 18.761 19.000 0.078 0.000 0.806 11 A HN 0.339 nan 8.150 nan 0.000 0.448 12 c N -1.460 117.222 118.600 0.137 0.000 2.401 12 c HA 0.509 5.077 4.570 -0.002 0.000 0.365 12 c C 1.049 175.320 174.090 0.301 0.000 1.250 12 c CA -0.676 55.761 56.329 0.179 0.000 2.131 12 c CB 0.209 42.780 42.510 0.103 0.000 2.445 12 c HN 0.691 nan 8.230 nan 0.000 0.550 13 W N 2.645 124.001 121.300 0.092 0.000 4.019 13 W HA 0.279 4.938 4.660 -0.002 0.000 0.212 13 W C 0.413 176.988 176.519 0.093 0.000 0.900 13 W CA 0.625 58.034 57.345 0.106 0.000 2.352 13 W CB -0.311 29.273 29.460 0.206 0.000 1.066 13 W HN 0.798 nan 8.180 nan 0.000 0.765 14 S N 0.084 115.900 115.700 0.193 0.000 2.727 14 S HA 0.217 4.686 4.470 -0.002 0.000 0.278 14 S C -1.401 173.295 174.600 0.160 0.000 1.186 14 S CA -0.757 57.475 58.200 0.054 0.000 0.836 14 S CB 1.711 64.882 63.200 -0.048 0.000 1.186 14 S HN -0.005 nan 8.310 nan 0.000 0.499 15 D N 1.258 121.722 120.400 0.107 0.000 2.426 15 D HA 0.428 5.067 4.640 -0.002 0.000 0.261 15 D C 1.374 177.701 176.300 0.046 0.000 1.245 15 D CA 2.188 56.230 54.000 0.070 0.000 0.917 15 D CB 0.076 40.900 40.800 0.039 0.000 1.123 15 D HN 1.264 nan 8.370 nan 0.000 0.508 16 G N 2.059 110.809 108.800 -0.082 0.000 2.159 16 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.256 16 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.256 16 G C -0.020 174.460 174.900 -0.699 0.000 0.977 16 G CA -0.319 44.562 45.100 -0.364 0.000 0.652 16 G HN 0.405 nan 8.290 nan 0.000 0.531 17 F N 1.345 121.352 119.950 0.096 0.000 2.562 17 F HA 0.601 5.126 4.527 -0.002 0.000 0.319 17 F C 0.001 176.005 175.800 0.340 0.000 1.154 17 F CA -0.512 57.597 58.000 0.182 0.000 0.931 17 F CB 2.122 41.113 39.000 -0.015 0.000 1.198 17 F HN 0.254 nan 8.300 nan 0.000 0.444 18 D N 1.276 121.982 120.400 0.510 0.000 2.921 18 D HA 0.237 4.876 4.640 -0.002 0.000 0.329 18 D C 0.420 176.887 176.300 0.279 0.000 1.293 18 D CA -0.580 53.637 54.000 0.362 0.000 0.964 18 D CB 0.423 41.358 40.800 0.225 0.000 1.435 18 D HN 0.250 nan 8.370 nan 0.000 0.548 19 I N 0.134 120.811 120.570 0.178 0.000 2.614 19 I HA -0.012 4.157 4.170 -0.002 0.000 0.258 19 I C 0.932 177.184 176.117 0.224 0.000 1.189 19 I CA 1.304 62.709 61.300 0.175 0.000 1.462 19 I CB -0.830 37.253 38.000 0.139 0.000 1.092 19 I HN 0.403 nan 8.210 nan 0.000 0.442 20 N N -1.219 117.600 118.700 0.198 0.000 2.422 20 N HA 0.016 4.755 4.740 -0.002 0.000 0.181 20 N C 0.169 175.795 175.510 0.194 0.000 1.080 20 N CA 0.195 53.347 53.050 0.171 0.000 0.893 20 N CB 0.065 38.626 38.487 0.122 0.000 0.973 20 N HN 0.212 nan 8.380 nan 0.000 0.456 21 T N 0.874 115.596 114.554 0.280 0.000 2.901 21 T HA -0.037 4.312 4.350 -0.002 0.000 0.301 21 T C -0.184 174.724 174.700 0.348 0.000 1.012 21 T CA -0.071 62.225 62.100 0.327 0.000 1.135 21 T CB 0.888 70.073 68.868 0.529 0.000 0.936 21 T HN 0.011 nan 8.240 nan 0.000 0.539 22 D N 2.407 122.931 120.400 0.207 0.000 2.383 22 D HA 0.042 4.681 4.640 -0.002 0.000 0.245 22 D C 1.040 177.429 176.300 0.148 0.000 1.263 22 D CA -0.615 53.409 54.000 0.039 0.000 0.936 22 D CB 0.146 40.946 40.800 0.001 0.000 1.053 22 D HN 0.662 nan 8.370 nan 0.000 0.507 23 Y N 1.836 122.339 120.300 0.339 0.000 2.403 23 Y HA 0.008 4.557 4.550 -0.002 0.000 0.291 23 Y C 1.540 177.617 175.900 0.295 0.000 1.143 23 Y CA 0.584 58.948 58.100 0.441 0.000 1.257 23 Y CB -0.452 38.142 38.460 0.224 0.000 0.984 23 Y HN 0.303 nan 8.280 nan 0.000 0.550 24 E N 0.620 120.786 120.200 -0.056 0.000 2.274 24 E HA -0.065 4.283 4.350 -0.002 0.000 0.194 24 E C 1.785 178.443 176.600 0.097 0.000 0.996 24 E CA 1.576 58.007 56.400 0.051 0.000 0.840 24 E CB 0.089 29.746 29.700 -0.071 0.000 0.772 24 E HN 0.621 nan 8.360 nan 0.000 0.491 25 V N -3.661 116.313 119.914 0.101 0.000 3.548 25 V HA 0.267 4.385 4.120 -0.002 0.000 0.279 25 V C 0.505 176.692 176.094 0.154 0.000 1.446 25 V CA -0.433 61.931 62.300 0.105 0.000 1.023 25 V CB 1.359 33.219 31.823 0.061 0.000 0.820 25 V HN -0.091 nan 8.190 nan 0.000 0.438 26 S N 0.602 116.447 115.700 0.242 0.000 2.561 26 S HA 0.757 5.226 4.470 -0.002 0.000 0.303 26 S C -0.479 174.356 174.600 0.392 0.000 1.110 26 S CA -0.062 58.324 58.200 0.310 0.000 1.034 26 S CB 1.592 64.980 63.200 0.313 0.000 1.010 26 S HN 0.598 nan 8.310 nan 0.000 0.482 27 T N 6.266 120.948 114.554 0.213 0.000 2.881 27 T HA 0.554 4.903 4.350 -0.002 0.000 0.290 27 T C -2.853 171.580 174.700 -0.445 0.000 1.000 27 T CA -1.069 60.963 62.100 -0.114 0.000 0.978 27 T CB 1.804 70.680 68.868 0.012 0.000 0.997 27 T HN 0.431 nan 8.240 nan 0.000 0.443 28 P HA 0.296 nan 4.420 nan 0.000 0.279 28 P C -0.979 176.049 177.300 -0.455 0.000 1.239 28 P CA -0.332 62.112 63.100 -1.092 0.000 0.789 28 P CB 0.785 31.546 31.700 -1.565 0.000 0.933 29 D N 1.642 121.895 120.400 -0.246 0.000 2.347 29 D HA 0.135 4.774 4.640 -0.002 0.000 0.235 29 D C 1.153 177.380 176.300 -0.121 0.000 1.149 29 D CA -0.118 53.803 54.000 -0.131 0.000 0.850 29 D CB 0.725 41.489 40.800 -0.061 0.000 1.061 29 D HN 0.307 nan 8.370 nan 0.000 0.487 30 T N 0.207 114.695 114.554 -0.109 0.000 3.034 30 T HA 0.263 4.612 4.350 -0.002 0.000 0.248 30 T C 1.606 176.269 174.700 -0.063 0.000 1.040 30 T CA 0.584 62.634 62.100 -0.083 0.000 1.107 30 T CB 0.124 68.952 68.868 -0.066 0.000 0.932 30 T HN 0.498 nan 8.240 nan 0.000 0.474 31 G N 1.062 109.825 108.800 -0.062 0.000 2.179 31 G HA2 -0.228 3.730 3.960 -0.002 0.000 0.260 31 G HA3 -0.228 3.730 3.960 -0.002 0.000 0.260 31 G C 0.085 174.950 174.900 -0.058 0.000 0.977 31 G CA 0.123 45.190 45.100 -0.055 0.000 0.641 31 G HN 0.784 nan 8.290 nan 0.000 0.533 32 V N 0.978 120.856 119.914 -0.060 0.000 2.567 32 V HA 0.688 4.807 4.120 -0.002 0.000 0.289 32 V C 0.502 176.547 176.094 -0.082 0.000 1.049 32 V CA 0.187 62.449 62.300 -0.063 0.000 0.969 32 V CB 1.730 33.525 31.823 -0.048 0.000 0.995 32 V HN 0.254 nan 8.190 nan 0.000 0.471 33 T N 4.330 118.825 114.554 -0.099 0.000 2.840 33 T HA 0.362 4.710 4.350 -0.002 0.000 0.287 33 T C -0.675 173.933 174.700 -0.154 0.000 0.991 33 T CA -0.528 61.491 62.100 -0.136 0.000 0.964 33 T CB 1.324 70.108 68.868 -0.140 0.000 0.954 33 T HN 0.543 nan 8.240 nan 0.000 0.438 34 Q N 2.641 122.335 119.800 -0.176 0.000 2.368 34 Q HA 0.448 4.786 4.340 -0.002 0.000 0.256 34 Q C -0.178 175.644 176.000 -0.296 0.000 0.980 34 Q CA -0.410 55.266 55.803 -0.212 0.000 0.887 34 Q CB 1.489 30.174 28.738 -0.089 0.000 1.221 34 Q HN 0.817 nan 8.270 nan 0.000 0.458 35 S N 2.327 117.783 115.700 -0.407 0.000 2.509 35 S HA 0.818 5.286 4.470 -0.002 0.000 0.297 35 S C -0.730 173.522 174.600 -0.581 0.000 1.118 35 S CA -0.487 57.493 58.200 -0.368 0.000 1.074 35 S CB 1.067 64.126 63.200 -0.235 0.000 1.038 35 S HN 0.400 nan 8.310 nan 0.000 0.498 36 Y N -0.326 119.894 120.300 -0.134 0.000 2.615 36 Y HA 0.674 5.223 4.550 -0.002 0.000 0.341 36 Y C -0.648 175.201 175.900 -0.084 0.000 1.089 36 Y CA -1.212 56.855 58.100 -0.054 0.000 1.049 36 Y CB 1.974 40.441 38.460 0.012 0.000 1.296 36 Y HN 0.579 nan 8.280 nan 0.000 0.470 37 V N 2.546 122.599 119.914 0.232 0.000 2.531 37 V HA 0.412 4.531 4.120 -0.002 0.000 0.301 37 V C -1.358 174.996 176.094 0.432 0.000 1.034 37 V CA -0.847 61.565 62.300 0.185 0.000 0.865 37 V CB 1.513 33.417 31.823 0.136 0.000 0.995 37 V HN 0.449 nan 8.190 nan 0.000 0.424 38 F N 3.608 123.632 119.950 0.124 0.000 2.347 38 F HA 0.469 4.994 4.527 -0.002 0.000 0.366 38 F C 0.378 176.229 175.800 0.084 0.000 1.107 38 F CA -1.569 56.495 58.000 0.106 0.000 1.058 38 F CB 1.228 40.287 39.000 0.098 0.000 1.236 38 F HN 0.464 nan 8.300 nan 0.000 0.456 39 N N 4.941 123.786 118.700 0.242 0.000 2.485 39 N HA 0.290 5.029 4.740 -0.002 0.000 0.243 39 N C -1.102 174.468 175.510 0.099 0.000 0.987 39 N CA -0.237 52.898 53.050 0.143 0.000 0.940 39 N CB 0.567 39.120 38.487 0.110 0.000 1.122 39 N HN 0.474 nan 8.380 nan 0.000 0.509 40 L N 3.211 124.484 121.223 0.083 0.000 2.278 40 L HA 0.363 4.702 4.340 -0.002 0.000 0.287 40 L C 0.536 177.417 176.870 0.018 0.000 1.072 40 L CA -0.473 54.391 54.840 0.040 0.000 0.819 40 L CB 0.511 42.590 42.059 0.032 0.000 1.176 40 L HN 0.531 nan 8.230 nan 0.000 0.435 41 T N -0.717 113.840 114.554 0.004 0.000 2.908 41 T HA 0.411 4.760 4.350 -0.002 0.000 0.290 41 T C -0.531 174.159 174.700 -0.016 0.000 1.034 41 T CA -0.893 61.208 62.100 0.002 0.000 1.010 41 T CB 2.601 71.478 68.868 0.015 0.000 1.068 41 T HN 0.523 nan 8.240 nan 0.000 0.481 42 E N 1.500 121.699 120.200 -0.002 0.000 2.081 42 E HA 0.523 4.872 4.350 -0.002 0.000 0.276 42 E C -1.219 175.387 176.600 0.009 0.000 0.950 42 E CA -0.757 55.642 56.400 -0.001 0.000 0.776 42 E CB 0.822 30.536 29.700 0.023 0.000 1.094 42 E HN 0.543 nan 8.360 nan 0.000 0.402 43 V N 4.785 124.691 119.914 -0.013 0.000 2.417 43 V HA 0.284 4.403 4.120 -0.002 0.000 0.291 43 V C -0.233 175.898 176.094 0.061 0.000 1.024 43 V CA -0.927 61.390 62.300 0.029 0.000 0.861 43 V CB 1.633 33.467 31.823 0.019 0.000 0.985 43 V HN 0.683 nan 8.190 nan 0.000 0.436 44 D N 3.302 123.758 120.400 0.092 0.000 2.217 44 D HA 0.319 4.958 4.640 -0.002 0.000 0.248 44 D C 0.368 176.752 176.300 0.139 0.000 1.008 44 D CA -0.280 53.781 54.000 0.101 0.000 0.914 44 D CB 0.894 41.741 40.800 0.078 0.000 1.182 44 D HN 0.615 nan 8.370 nan 0.000 0.451 45 N N 0.754 119.536 118.700 0.138 0.000 2.705 45 N HA -0.244 4.495 4.740 -0.002 0.000 0.255 45 N C -0.805 174.818 175.510 0.189 0.000 1.008 45 N CA 0.361 53.490 53.050 0.131 0.000 0.742 45 N CB -1.110 37.423 38.487 0.078 0.000 0.906 45 N HN 0.516 nan 8.380 nan 0.000 0.541 46 W N 1.291 122.608 121.300 0.028 0.000 2.272 46 W HA 0.418 5.077 4.660 -0.002 0.000 0.318 46 W C 0.569 177.109 176.519 0.035 0.000 1.255 46 W CA -0.813 56.554 57.345 0.037 0.000 1.200 46 W CB 0.493 29.987 29.460 0.056 0.000 1.170 46 W HN 0.166 nan 8.180 nan 0.000 0.549 47 M N 7.038 126.373 119.600 -0.442 0.000 2.108 47 M HA 0.394 4.872 4.480 -0.002 0.000 0.347 47 M C 0.245 175.966 176.300 -0.966 0.000 1.326 47 M CA -0.107 54.892 55.300 -0.502 0.000 1.126 47 M CB -0.055 32.332 32.600 -0.355 0.000 1.606 47 M HN 0.476 nan 8.290 nan 0.000 0.462 48 G N 5.600 114.043 108.800 -0.595 0.000 2.580 48 G HA2 0.454 4.412 3.960 -0.002 0.000 0.278 48 G HA3 0.454 4.412 3.960 -0.002 0.000 0.278 48 G C -1.780 172.903 174.900 -0.363 0.000 1.212 48 G CA -1.034 43.744 45.100 -0.537 0.000 0.939 48 G HN 0.693 nan 8.290 nan 0.000 0.513 49 P HA -0.059 nan 4.420 nan 0.000 0.222 49 P C 0.482 177.678 177.300 -0.173 0.000 1.147 49 P CA 1.256 64.219 63.100 -0.229 0.000 0.790 49 P CB 0.233 31.794 31.700 -0.232 0.000 0.780 50 D N -1.937 118.391 120.400 -0.120 0.000 2.363 50 D HA 0.173 4.812 4.640 -0.002 0.000 0.214 50 D C 1.442 177.709 176.300 -0.055 0.000 1.093 50 D CA 0.232 54.194 54.000 -0.062 0.000 0.837 50 D CB -0.370 40.446 40.800 0.027 0.000 0.948 50 D HN 0.242 nan 8.370 nan 0.000 0.507 51 G N -0.462 108.281 108.800 -0.094 0.000 2.258 51 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.233 51 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.233 51 G C 0.171 174.996 174.900 -0.126 0.000 1.006 51 G CA 0.064 45.101 45.100 -0.106 0.000 0.620 51 G HN 0.370 nan 8.290 nan 0.000 0.511 52 V N 2.123 121.952 119.914 -0.142 0.000 2.555 52 V HA 0.456 4.575 4.120 -0.002 0.000 0.286 52 V C 1.102 177.083 176.094 -0.188 0.000 1.044 52 V CA -0.436 61.706 62.300 -0.263 0.000 1.026 52 V CB 1.678 33.099 31.823 -0.670 0.000 0.981 52 V HN 0.314 nan 8.190 nan 0.000 0.480 53 V N 6.386 126.203 119.914 -0.162 0.000 2.455 53 V HA 0.193 4.312 4.120 -0.002 0.000 0.273 53 V C 0.596 176.681 176.094 -0.015 0.000 1.045 53 V CA -0.587 61.672 62.300 -0.068 0.000 0.976 53 V CB 0.758 32.551 31.823 -0.051 0.000 0.993 53 V HN 0.712 nan 8.190 nan 0.000 0.475 54 K N 3.997 124.479 120.400 0.136 0.000 2.249 54 K HA 0.169 4.488 4.320 -0.002 0.000 0.280 54 K C 1.224 177.918 176.600 0.156 0.000 1.033 54 K CA -0.095 56.306 56.287 0.191 0.000 0.946 54 K CB 1.435 34.171 32.500 0.393 0.000 1.005 54 K HN 0.775 nan 8.250 nan 0.000 0.469 55 E N 2.640 122.899 120.200 0.099 0.000 2.038 55 E HA -0.177 4.172 4.350 -0.002 0.000 0.195 55 E C -0.168 176.484 176.600 0.086 0.000 1.000 55 E CA 1.544 57.990 56.400 0.076 0.000 0.803 55 E CB 0.377 30.108 29.700 0.051 0.000 0.750 55 E HN 0.397 nan 8.360 nan 0.000 0.448 56 K N -0.426 120.022 120.400 0.081 0.000 2.542 56 K HA 0.319 4.637 4.320 -0.002 0.000 0.259 56 K C -1.440 175.173 176.600 0.022 0.000 0.932 56 K CA -0.582 55.739 56.287 0.057 0.000 0.820 56 K CB 2.171 34.698 32.500 0.045 0.000 1.345 56 K HN 0.027 nan 8.250 nan 0.000 0.432 57 V N -0.189 119.698 119.914 -0.045 0.000 3.114 57 V HA 0.662 4.781 4.120 -0.002 0.000 0.308 57 V C -0.954 175.049 176.094 -0.150 0.000 1.168 57 V CA -1.109 61.095 62.300 -0.159 0.000 1.015 57 V CB 2.102 33.649 31.823 -0.460 0.000 1.050 57 V HN 0.814 nan 8.190 nan 0.000 0.433 58 M N 3.452 122.966 119.600 -0.142 0.000 2.022 58 M HA 0.589 5.068 4.480 -0.002 0.000 0.298 58 M C -1.274 174.954 176.300 -0.121 0.000 0.909 58 M CA -0.120 55.125 55.300 -0.091 0.000 0.914 58 M CB 1.586 34.172 32.600 -0.023 0.000 1.486 58 M HN 0.581 nan 8.290 nan 0.000 0.415 59 L N 3.295 124.430 121.223 -0.146 0.000 2.352 59 L HA 0.702 5.040 4.340 -0.002 0.000 0.269 59 L C -0.417 176.414 176.870 -0.066 0.000 1.034 59 L CA -0.998 53.760 54.840 -0.138 0.000 0.806 59 L CB 1.769 43.713 42.059 -0.191 0.000 1.244 59 L HN 0.590 nan 8.230 nan 0.000 0.447 60 I N 2.105 122.635 120.570 -0.066 0.000 2.339 60 I HA 0.264 4.432 4.170 -0.002 0.000 0.290 60 I C -0.190 175.910 176.117 -0.029 0.000 0.994 60 I CA -0.435 60.828 61.300 -0.062 0.000 1.191 60 I CB 1.144 39.030 38.000 -0.189 0.000 1.343 60 I HN 0.674 nan 8.210 nan 0.000 0.458 61 N N 4.836 123.551 118.700 0.025 0.000 2.714 61 N HA -0.209 4.529 4.740 -0.002 0.000 0.250 61 N C 0.959 176.503 175.510 0.057 0.000 1.117 61 N CA 1.387 54.472 53.050 0.058 0.000 0.719 61 N CB -1.173 37.362 38.487 0.080 0.000 1.081 61 N HN 1.161 nan 8.380 nan 0.000 0.557 62 G N -2.017 106.810 108.800 0.044 0.000 2.179 62 G HA2 -0.346 3.612 3.960 -0.002 0.000 0.260 62 G HA3 -0.346 3.612 3.960 -0.002 0.000 0.260 62 G C 0.090 175.055 174.900 0.107 0.000 0.977 62 G CA 0.530 45.672 45.100 0.071 0.000 0.641 62 G HN 0.538 nan 8.290 nan 0.000 0.533 63 N N -0.634 118.112 118.700 0.076 0.000 2.483 63 N HA 0.539 5.278 4.740 -0.002 0.000 0.285 63 N C 1.327 176.881 175.510 0.073 0.000 1.210 63 N CA -0.311 52.807 53.050 0.113 0.000 0.931 63 N CB 1.280 39.816 38.487 0.081 0.000 1.220 63 N HN 0.062 nan 8.380 nan 0.000 0.542 64 I N -0.394 120.267 120.570 0.152 0.000 2.454 64 I HA -0.047 4.121 4.170 -0.002 0.000 0.254 64 I C 0.196 176.319 176.117 0.010 0.000 1.156 64 I CA 1.315 62.679 61.300 0.106 0.000 1.433 64 I CB 0.217 38.378 38.000 0.268 0.000 1.082 64 I HN 0.358 nan 8.210 nan 0.000 0.432 65 M N -0.807 118.794 119.600 0.002 0.000 2.619 65 M HA 0.394 4.873 4.480 -0.002 0.000 0.297 65 M C 0.170 176.435 176.300 -0.059 0.000 1.229 65 M CA -0.581 54.691 55.300 -0.047 0.000 0.860 65 M CB 1.845 34.408 32.600 -0.061 0.000 1.741 65 M HN 0.005 nan 8.290 nan 0.000 0.462 66 G N 1.278 110.013 108.800 -0.108 0.000 2.616 66 G HA2 0.502 4.461 3.960 -0.002 0.000 0.268 66 G HA3 0.502 4.461 3.960 -0.002 0.000 0.268 66 G C -2.660 172.223 174.900 -0.027 0.000 1.213 66 G CA -0.887 44.132 45.100 -0.135 0.000 0.926 66 G HN 0.385 nan 8.290 nan 0.000 0.523 67 P HA 0.056 nan 4.420 nan 0.000 0.271 67 P C -0.378 176.988 177.300 0.111 0.000 1.216 67 P CA -0.253 62.903 63.100 0.092 0.000 0.771 67 P CB 0.540 32.352 31.700 0.186 0.000 0.864 68 N N 3.760 122.518 118.700 0.095 0.000 2.416 68 N HA 0.141 4.880 4.740 -0.002 0.000 0.265 68 N C 0.141 175.689 175.510 0.063 0.000 1.195 68 N CA -0.519 52.593 53.050 0.102 0.000 0.943 68 N CB 0.338 38.872 38.487 0.079 0.000 1.115 68 N HN 0.390 nan 8.380 nan 0.000 0.481 69 I N 2.263 122.854 120.570 0.035 0.000 2.598 69 I HA -0.012 4.157 4.170 -0.002 0.000 0.284 69 I C -0.054 176.129 176.117 0.111 0.000 1.140 69 I CA -0.183 61.035 61.300 -0.135 0.000 1.420 69 I CB 0.694 38.632 38.000 -0.102 0.000 1.387 69 I HN 0.305 nan 8.210 nan 0.000 0.553 70 V N 6.155 126.196 119.914 0.212 0.000 2.577 70 V HA 0.872 4.991 4.120 -0.002 0.000 0.303 70 V C -0.074 176.138 176.094 0.196 0.000 1.042 70 V CA -0.427 61.990 62.300 0.196 0.000 0.872 70 V CB 1.458 33.389 31.823 0.180 0.000 0.998 70 V HN 0.914 nan 8.190 nan 0.000 0.423 71 A N 4.192 127.107 122.820 0.158 0.000 2.581 71 A HA 0.807 5.126 4.320 -0.002 0.000 0.290 71 A C -1.149 176.537 177.584 0.169 0.000 1.119 71 A CA -0.855 51.262 52.037 0.133 0.000 0.670 71 A CB 1.531 20.579 19.000 0.079 0.000 1.280 71 A HN 0.775 nan 8.150 nan 0.000 0.425 72 N N -0.660 118.154 118.700 0.190 0.000 2.472 72 N HA 0.427 5.166 4.740 -0.002 0.000 0.289 72 N C -0.936 174.750 175.510 0.293 0.000 1.156 72 N CA -0.423 52.809 53.050 0.304 0.000 0.940 72 N CB 0.832 39.549 38.487 0.383 0.000 1.200 72 N HN 0.704 nan 8.380 nan 0.000 0.511 73 W N 1.486 122.820 121.300 0.057 0.000 2.505 73 W HA 0.238 4.897 4.660 -0.002 0.000 0.332 73 W C 1.007 177.525 176.519 -0.001 0.000 1.434 73 W CA 0.738 58.058 57.345 -0.041 0.000 1.320 73 W CB -0.942 28.332 29.460 -0.311 0.000 1.363 73 W HN 0.784 nan 8.180 nan 0.000 0.565 74 G N 3.369 112.235 108.800 0.111 0.000 2.195 74 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.224 74 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.224 74 G C 0.220 175.099 174.900 -0.034 0.000 0.990 74 G CA -0.022 45.021 45.100 -0.096 0.000 0.639 74 G HN 0.517 nan 8.290 nan 0.000 0.514 75 D N 0.583 120.996 120.400 0.021 0.000 2.414 75 D HA 0.583 5.222 4.640 -0.002 0.000 0.251 75 D C 0.491 176.756 176.300 -0.058 0.000 1.252 75 D CA 0.663 54.651 54.000 -0.021 0.000 0.999 75 D CB 0.576 41.372 40.800 -0.007 0.000 1.093 75 D HN 0.079 nan 8.370 nan 0.000 0.515 76 T N 0.046 114.523 114.554 -0.128 0.000 2.824 76 T HA 0.470 4.818 4.350 -0.002 0.000 0.282 76 T C -0.468 174.016 174.700 -0.359 0.000 0.993 76 T CA -0.634 61.336 62.100 -0.217 0.000 0.967 76 T CB 1.412 70.172 68.868 -0.180 0.000 0.960 76 T HN -0.031 nan 8.240 nan 0.000 0.441 77 V N 3.064 122.568 119.914 -0.684 0.000 2.483 77 V HA 0.563 4.681 4.120 -0.002 0.000 0.295 77 V C 0.005 175.550 176.094 -0.914 0.000 1.035 77 V CA -0.708 61.070 62.300 -0.870 0.000 0.896 77 V CB 1.635 32.578 31.823 -1.466 0.000 0.986 77 V HN 0.891 nan 8.190 nan 0.000 0.447 78 E N 3.305 123.170 120.200 -0.559 0.000 2.246 78 E HA 0.681 5.029 4.350 -0.002 0.000 0.266 78 E C -1.928 174.486 176.600 -0.310 0.000 0.880 78 E CA -0.445 55.703 56.400 -0.419 0.000 0.762 78 E CB 2.144 31.682 29.700 -0.270 0.000 1.180 78 E HN 0.473 nan 8.360 nan 0.000 0.416 79 V N 3.579 123.314 119.914 -0.298 0.000 2.483 79 V HA 0.337 4.455 4.120 -0.002 0.000 0.297 79 V C -0.367 175.677 176.094 -0.083 0.000 1.027 79 V CA -0.803 61.329 62.300 -0.279 0.000 0.855 79 V CB 2.009 33.475 31.823 -0.595 0.000 0.995 79 V HN 0.748 nan 8.190 nan 0.000 0.424 80 T N 4.490 118.996 114.554 -0.081 0.000 2.762 80 T HA 0.376 4.725 4.350 -0.002 0.000 0.303 80 T C -0.067 174.660 174.700 0.045 0.000 0.977 80 T CA -0.198 61.908 62.100 0.011 0.000 0.961 80 T CB 0.873 69.745 68.868 0.007 0.000 0.944 80 T HN 0.363 nan 8.240 nan 0.000 0.481 81 V N 6.174 126.170 119.914 0.136 0.000 2.385 81 V HA 0.363 4.482 4.120 -0.002 0.000 0.269 81 V C 0.238 176.419 176.094 0.144 0.000 1.043 81 V CA -0.591 61.828 62.300 0.199 0.000 0.906 81 V CB 0.384 32.405 31.823 0.330 0.000 0.995 81 V HN 0.778 nan 8.190 nan 0.000 0.467 82 I N 4.628 125.279 120.570 0.135 0.000 2.330 82 I HA 0.343 4.512 4.170 -0.002 0.000 0.289 82 I C 0.135 176.292 176.117 0.066 0.000 1.001 82 I CA -0.424 60.925 61.300 0.082 0.000 1.193 82 I CB 1.335 39.378 38.000 0.072 0.000 1.345 82 I HN 0.459 nan 8.210 nan 0.000 0.461 83 N N 6.079 124.793 118.700 0.024 0.000 2.439 83 N HA 0.141 4.880 4.740 -0.002 0.000 0.243 83 N C -0.096 175.398 175.510 -0.028 0.000 1.088 83 N CA 0.076 53.117 53.050 -0.015 0.000 0.940 83 N CB 0.331 38.778 38.487 -0.067 0.000 1.180 83 N HN 0.435 nan 8.380 nan 0.000 0.505 84 N N 3.290 121.984 118.700 -0.010 0.000 2.273 84 N HA 0.156 4.894 4.740 -0.002 0.000 0.231 84 N C -0.075 175.426 175.510 -0.015 0.000 1.134 84 N CA -0.093 52.952 53.050 -0.009 0.000 0.856 84 N CB 0.517 39.011 38.487 0.012 0.000 1.068 84 N HN 0.482 nan 8.380 nan 0.000 0.510 85 L N -0.198 121.005 121.223 -0.034 0.000 2.476 85 L HA 0.160 4.499 4.340 -0.002 0.000 0.255 85 L C 1.901 178.761 176.870 -0.017 0.000 1.218 85 L CA -0.415 54.410 54.840 -0.024 0.000 0.819 85 L CB 0.667 42.700 42.059 -0.043 0.000 1.119 85 L HN -0.168 nan 8.230 nan 0.000 0.485 86 V N -0.572 119.358 119.914 0.026 0.000 2.302 86 V HA -0.150 3.969 4.120 -0.002 0.000 0.243 86 V C 1.891 178.027 176.094 0.071 0.000 1.036 86 V CA 2.245 64.574 62.300 0.049 0.000 1.020 86 V CB -0.578 31.294 31.823 0.082 0.000 0.657 86 V HN 1.087 nan 8.190 nan 0.000 0.453 87 T N -4.297 110.340 114.554 0.138 0.000 2.989 87 T HA 0.166 4.515 4.350 -0.002 0.000 0.250 87 T C 0.701 175.559 174.700 0.264 0.000 0.981 87 T CA -0.186 62.066 62.100 0.253 0.000 0.980 87 T CB -0.340 68.763 68.868 0.391 0.000 1.133 87 T HN 0.356 nan 8.240 nan 0.000 0.489 88 N N 1.516 120.305 118.700 0.149 0.000 2.508 88 N HA 0.448 5.186 4.740 -0.002 0.000 0.264 88 N C 0.246 175.518 175.510 -0.396 0.000 1.216 88 N CA -0.115 52.918 53.050 -0.029 0.000 0.943 88 N CB 0.900 39.343 38.487 -0.074 0.000 1.113 88 N HN 0.491 nan 8.380 nan 0.000 0.447 89 G N -0.277 107.877 108.800 -1.076 0.000 2.537 89 G HA2 0.471 4.430 3.960 -0.002 0.000 0.297 89 G HA3 0.471 4.430 3.960 -0.002 0.000 0.297 89 G C -0.556 173.488 174.900 -1.426 0.000 1.310 89 G CA -0.087 44.377 45.100 -1.060 0.000 1.027 89 G HN 0.430 nan 8.290 nan 0.000 0.505 90 T N -1.816 112.251 114.554 -0.811 0.000 2.802 90 T HA 0.608 4.957 4.350 -0.002 0.000 0.311 90 T C -1.308 173.280 174.700 -0.187 0.000 1.405 90 T CA 0.056 61.898 62.100 -0.429 0.000 1.016 90 T CB 1.390 70.126 68.868 -0.220 0.000 1.352 90 T HN 1.537 nan 8.240 nan 0.000 0.498 91 S N 2.424 118.109 115.700 -0.025 0.000 2.584 91 S HA 0.579 5.048 4.470 -0.002 0.000 0.280 91 S C -1.446 173.155 174.600 0.001 0.000 1.162 91 S CA -0.943 57.309 58.200 0.086 0.000 0.951 91 S CB 0.782 64.032 63.200 0.082 0.000 1.108 91 S HN 0.625 nan 8.310 nan 0.000 0.464 92 I N 4.119 124.592 120.570 -0.162 0.000 2.315 92 I HA 0.348 4.517 4.170 -0.002 0.000 0.291 92 I C 0.212 175.711 176.117 -1.031 0.000 1.006 92 I CA -0.190 60.726 61.300 -0.640 0.000 1.265 92 I CB 0.538 38.031 38.000 -0.845 0.000 1.387 92 I HN 0.935 nan 8.210 nan 0.000 0.475 93 H N 6.495 124.989 119.070 -0.959 0.000 2.489 93 H HA 0.328 4.883 4.556 -0.002 0.000 0.322 93 H C -1.291 173.357 175.328 -1.134 0.000 1.091 93 H CA -0.596 54.915 56.048 -0.895 0.000 1.291 93 H CB 0.663 30.093 29.762 -0.554 0.000 1.436 93 H HN 0.400 nan 8.280 nan 0.000 0.480 94 W N 5.454 126.259 121.300 -0.824 0.000 2.120 94 W HA 0.183 4.842 4.660 -0.002 0.000 0.371 94 W C 0.053 175.977 176.519 -0.991 0.000 0.865 94 W CA -0.869 56.013 57.345 -0.773 0.000 1.529 94 W CB -0.516 28.461 29.460 -0.805 0.000 1.623 94 W HN 0.683 nan 8.180 nan 0.000 0.325 95 H N 1.688 120.059 119.070 -1.165 0.000 3.145 95 H HA 0.296 4.850 4.556 -0.002 0.000 0.288 95 H C 1.427 176.512 175.328 -0.404 0.000 0.969 95 H CA 1.603 57.131 56.048 -0.867 0.000 1.444 95 H CB 0.345 29.465 29.762 -1.071 0.000 1.500 95 H HN 0.754 nan 8.280 nan 0.000 0.552 96 G N 4.215 113.001 108.800 -0.024 0.000 2.339 96 G HA2 -0.260 3.698 3.960 -0.002 0.000 0.209 96 G HA3 -0.260 3.698 3.960 -0.002 0.000 0.209 96 G C -0.091 174.708 174.900 -0.168 0.000 1.015 96 G CA -0.045 45.056 45.100 0.003 0.000 0.635 96 G HN 0.567 nan 8.290 nan 0.000 0.499 97 I N 2.958 123.362 120.570 -0.276 0.000 2.363 97 I HA 0.400 4.569 4.170 -0.002 0.000 0.292 97 I C 1.462 177.463 176.117 -0.194 0.000 1.075 97 I CA -0.611 60.456 61.300 -0.389 0.000 1.333 97 I CB 1.102 38.629 38.000 -0.790 0.000 1.415 97 I HN 0.147 nan 8.210 nan 0.000 0.502 98 H N 4.562 123.485 119.070 -0.245 0.000 2.489 98 H HA -0.090 4.465 4.556 -0.002 0.000 0.295 98 H C 0.516 175.661 175.328 -0.305 0.000 1.082 98 H CA 0.553 56.410 56.048 -0.317 0.000 1.295 98 H CB -0.104 29.495 29.762 -0.271 0.000 1.380 98 H HN 0.476 nan 8.280 nan 0.000 0.548 99 Q N -0.086 119.711 119.800 -0.004 0.000 2.452 99 Q HA -0.227 4.112 4.340 -0.002 0.000 0.318 99 Q C 0.011 176.115 176.000 0.173 0.000 1.386 99 Q CA 0.460 56.343 55.803 0.134 0.000 0.872 99 Q CB -1.762 27.174 28.738 0.330 0.000 1.151 99 Q HN 0.520 nan 8.270 nan 0.000 0.417 100 K N 1.714 122.173 120.400 0.099 0.000 2.319 100 K HA -0.047 4.272 4.320 -0.002 0.000 0.277 100 K C 0.159 176.844 176.600 0.142 0.000 1.111 100 K CA 0.468 56.811 56.287 0.094 0.000 1.093 100 K CB 0.265 32.813 32.500 0.080 0.000 0.910 100 K HN 0.183 nan 8.250 nan 0.000 0.452 101 D N 1.931 122.442 120.400 0.186 0.000 3.076 101 D HA -0.141 4.498 4.640 -0.002 0.000 0.218 101 D C -0.414 175.997 176.300 0.185 0.000 1.156 101 D CA 1.780 55.884 54.000 0.174 0.000 0.921 101 D CB -1.241 39.631 40.800 0.119 0.000 1.113 101 D HN 0.719 nan 8.370 nan 0.000 0.418 102 T N -2.777 111.926 114.554 0.249 0.000 3.584 102 T HA 0.178 4.527 4.350 -0.002 0.000 0.259 102 T C 0.956 175.863 174.700 0.345 0.000 1.009 102 T CA -0.343 61.928 62.100 0.285 0.000 1.103 102 T CB 0.387 69.404 68.868 0.249 0.000 1.099 102 T HN 0.126 nan 8.240 nan 0.000 0.539 103 N N 1.251 120.098 118.700 0.245 0.000 2.137 103 N HA -0.092 4.647 4.740 -0.002 0.000 0.190 103 N C 1.483 177.011 175.510 0.029 0.000 1.017 103 N CA 1.106 54.169 53.050 0.023 0.000 0.859 103 N CB -0.139 38.145 38.487 -0.339 0.000 1.002 103 N HN 0.522 nan 8.380 nan 0.000 0.428 104 L N -0.126 121.127 121.223 0.051 0.000 2.456 104 L HA -0.093 4.245 4.340 -0.002 0.000 0.224 104 L C 1.321 178.189 176.870 -0.004 0.000 1.148 104 L CA 0.638 55.471 54.840 -0.012 0.000 0.825 104 L CB -0.268 41.737 42.059 -0.089 0.000 0.937 104 L HN 0.317 nan 8.230 nan 0.000 0.450 105 H N -2.314 116.913 119.070 0.262 0.000 2.549 105 H HA 0.016 4.571 4.556 -0.002 0.000 0.279 105 H C 0.994 176.687 175.328 0.609 0.000 1.018 105 H CA 0.119 56.440 56.048 0.455 0.000 1.175 105 H CB 0.492 30.508 29.762 0.422 0.000 1.485 105 H HN 0.277 nan 8.280 nan 0.000 0.543 106 D N 0.604 121.317 120.400 0.521 0.000 2.218 106 D HA -0.071 4.567 4.640 -0.002 0.000 0.204 106 D C 1.755 178.323 176.300 0.447 0.000 0.976 106 D CA 1.292 55.596 54.000 0.507 0.000 0.853 106 D CB 0.054 41.123 40.800 0.448 0.000 0.939 106 D HN 0.548 nan 8.370 nan 0.000 0.481 107 G N -0.812 108.236 108.800 0.414 0.000 2.147 107 G HA2 -0.185 3.774 3.960 -0.002 0.000 0.244 107 G HA3 -0.185 3.774 3.960 -0.002 0.000 0.244 107 G C 0.289 175.280 174.900 0.151 0.000 1.005 107 G CA 0.322 45.591 45.100 0.282 0.000 0.713 107 G HN 0.687 nan 8.290 nan 0.000 0.515 108 A N 1.005 123.879 122.820 0.090 0.000 2.621 108 A HA 0.587 4.906 4.320 -0.002 0.000 0.329 108 A C 0.717 178.276 177.584 -0.042 0.000 1.458 108 A CA 0.026 52.007 52.037 -0.093 0.000 1.052 108 A CB -0.369 18.538 19.000 -0.156 0.000 1.142 108 A HN 0.853 nan 8.150 nan 0.000 0.523 109 N N 1.714 120.411 118.700 -0.004 0.000 2.483 109 N HA 0.333 5.072 4.740 -0.002 0.000 0.264 109 N C 0.909 176.482 175.510 0.106 0.000 1.197 109 N CA 0.249 53.320 53.050 0.035 0.000 0.927 109 N CB 0.740 39.211 38.487 -0.027 0.000 1.065 109 N HN 0.964 nan 8.380 nan 0.000 0.461 110 G N 0.250 109.126 108.800 0.126 0.000 2.176 110 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.253 110 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.253 110 G C 0.355 175.282 174.900 0.044 0.000 0.979 110 G CA 0.413 45.584 45.100 0.119 0.000 0.641 110 G HN 0.519 nan 8.290 nan 0.000 0.530 111 V N 0.040 119.959 119.914 0.008 0.000 3.444 111 V HA 0.218 4.337 4.120 -0.002 0.000 0.210 111 V C 2.515 178.601 176.094 -0.013 0.000 1.217 111 V CA 2.362 64.631 62.300 -0.051 0.000 1.302 111 V CB -0.121 31.609 31.823 -0.155 0.000 1.341 111 V HN 0.715 nan 8.190 nan 0.000 0.522 112 T N -0.724 113.823 114.554 -0.012 0.000 3.065 112 T HA 0.218 4.567 4.350 -0.002 0.000 0.252 112 T C 0.346 175.157 174.700 0.185 0.000 1.099 112 T CA 0.522 62.629 62.100 0.010 0.000 1.063 112 T CB -0.130 68.721 68.868 -0.028 0.000 0.948 112 T HN 0.761 nan 8.240 nan 0.000 0.506 113 E N -1.015 119.316 120.200 0.219 0.000 2.422 113 E HA 0.408 4.757 4.350 -0.002 0.000 0.280 113 E C -1.634 174.977 176.600 0.018 0.000 1.091 113 E CA -1.134 55.399 56.400 0.221 0.000 0.849 113 E CB 0.545 30.317 29.700 0.120 0.000 1.353 113 E HN 0.077 nan 8.360 nan 0.000 0.449 114 c N 1.238 119.740 118.600 -0.163 0.000 2.398 114 c HA 0.532 5.101 4.570 -0.002 0.000 0.364 114 c C -2.150 171.704 174.090 -0.394 0.000 1.219 114 c CA -1.009 55.158 56.329 -0.271 0.000 2.312 114 c CB 0.279 42.659 42.510 -0.217 0.000 2.428 114 c HN 0.572 nan 8.230 nan 0.000 0.564 115 P HA 0.211 nan 4.420 nan 0.000 0.271 115 P C -0.595 176.404 177.300 -0.501 0.000 1.218 115 P CA 0.077 62.695 63.100 -0.802 0.000 0.780 115 P CB 0.264 31.072 31.700 -1.486 0.000 0.901 116 I N 4.826 125.218 120.570 -0.296 0.000 2.533 116 I HA 0.102 4.271 4.170 -0.002 0.000 0.284 116 I C -1.639 174.441 176.117 -0.061 0.000 1.109 116 I CA -1.746 59.483 61.300 -0.119 0.000 1.412 116 I CB 0.262 38.216 38.000 -0.077 0.000 1.396 116 I HN 0.206 nan 8.210 nan 0.000 0.543 117 P HA 0.197 nan 4.420 nan 0.000 0.274 117 P C -2.598 174.610 177.300 -0.153 0.000 1.231 117 P CA -1.375 61.773 63.100 0.081 0.000 0.790 117 P CB 0.298 32.071 31.700 0.121 0.000 0.951 118 P HA 0.083 nan 4.420 nan 0.000 0.297 118 P C -0.270 176.904 177.300 -0.210 0.000 1.303 118 P CA -0.177 62.756 63.100 -0.278 0.000 0.753 118 P CB 0.272 31.776 31.700 -0.326 0.000 1.281 119 K N -1.903 118.424 120.400 -0.122 0.000 3.160 119 K HA -0.176 4.143 4.320 -0.002 0.000 0.280 119 K C 0.798 177.379 176.600 -0.033 0.000 1.154 119 K CA 0.700 56.953 56.287 -0.058 0.000 0.822 119 K CB -2.432 30.044 32.500 -0.041 0.000 1.239 119 K HN 0.979 nan 8.250 nan 0.000 0.489 120 G N -1.295 107.486 108.800 -0.032 0.000 2.183 120 G HA2 -0.127 3.832 3.960 -0.002 0.000 0.168 120 G HA3 -0.127 3.832 3.960 -0.002 0.000 0.168 120 G C 0.301 175.197 174.900 -0.008 0.000 1.008 120 G CA -0.295 44.799 45.100 -0.010 0.000 0.677 120 G HN 0.675 nan 8.290 nan 0.000 0.498 121 G N 0.285 109.071 108.800 -0.023 0.000 2.398 121 G HA2 0.565 4.524 3.960 -0.002 0.000 0.246 121 G HA3 0.565 4.524 3.960 -0.002 0.000 0.246 121 G C 0.119 175.019 174.900 -0.001 0.000 1.289 121 G CA 0.863 45.956 45.100 -0.010 0.000 0.869 121 G HN 1.090 nan 8.290 nan 0.000 0.543 122 Q N 0.658 120.459 119.800 0.003 0.000 2.484 122 Q HA 0.803 5.142 4.340 -0.002 0.000 0.285 122 Q C -0.978 175.013 176.000 -0.015 0.000 1.097 122 Q CA -1.304 54.504 55.803 0.008 0.000 0.802 122 Q CB 2.590 31.338 28.738 0.016 0.000 1.444 122 Q HN 0.461 nan 8.270 nan 0.000 0.429 123 R N 0.643 121.131 120.500 -0.020 0.000 2.604 123 R HA 0.355 4.694 4.340 -0.002 0.000 0.261 123 R C -1.743 174.512 176.300 -0.076 0.000 1.080 123 R CA -0.267 55.775 56.100 -0.096 0.000 0.917 123 R CB 2.643 32.819 30.300 -0.206 0.000 1.252 123 R HN 0.908 nan 8.270 nan 0.000 0.456 124 T N 4.393 118.894 114.554 -0.088 0.000 2.770 124 T HA 0.409 4.758 4.350 -0.002 0.000 0.297 124 T C -0.759 173.957 174.700 0.027 0.000 0.997 124 T CA -0.211 61.884 62.100 -0.008 0.000 0.949 124 T CB 0.087 68.953 68.868 -0.002 0.000 0.941 124 T HN 0.239 nan 8.240 nan 0.000 0.457 125 Y N 2.351 122.731 120.300 0.134 0.000 2.299 125 Y HA 0.536 5.085 4.550 -0.002 0.000 0.326 125 Y C 0.946 176.834 175.900 -0.021 0.000 1.164 125 Y CA -0.632 57.636 58.100 0.281 0.000 1.234 125 Y CB 0.911 39.599 38.460 0.380 0.000 1.219 125 Y HN 0.365 nan 8.280 nan 0.000 0.497 126 R N 5.019 125.541 120.500 0.038 0.000 2.533 126 R HA 0.355 4.694 4.340 -0.002 0.000 0.288 126 R C -2.039 174.043 176.300 -0.364 0.000 1.039 126 R CA -0.585 55.313 56.100 -0.336 0.000 0.909 126 R CB 1.310 31.443 30.300 -0.278 0.000 1.195 126 R HN 0.913 nan 8.270 nan 0.000 0.438 127 W N 2.673 123.764 121.300 -0.347 0.000 3.213 127 W HA 0.480 5.139 4.660 -0.002 0.000 0.318 127 W C -1.541 174.871 176.519 -0.178 0.000 1.248 127 W CA -1.149 56.037 57.345 -0.265 0.000 1.187 127 W CB 0.665 29.974 29.460 -0.251 0.000 1.403 127 W HN 0.413 nan 8.180 nan 0.000 0.556 128 R N 1.693 122.333 120.500 0.234 0.000 2.349 128 R HA 0.551 4.890 4.340 -0.002 0.000 0.299 128 R C 0.011 176.498 176.300 0.312 0.000 1.027 128 R CA -0.070 56.128 56.100 0.163 0.000 0.958 128 R CB 1.347 31.708 30.300 0.102 0.000 1.047 128 R HN 0.557 nan 8.270 nan 0.000 0.468 129 A N 5.423 128.392 122.820 0.247 0.000 3.056 129 A HA 0.183 4.502 4.320 -0.002 0.000 0.274 129 A C 0.213 177.977 177.584 0.298 0.000 1.661 129 A CA -0.321 51.900 52.037 0.307 0.000 1.363 129 A CB -0.309 18.843 19.000 0.253 0.000 1.139 129 A HN 0.869 nan 8.150 nan 0.000 0.598 130 R N 0.209 120.860 120.500 0.251 0.000 2.319 130 R HA 0.091 4.430 4.340 -0.002 0.000 0.204 130 R C 0.103 176.599 176.300 0.328 0.000 0.954 130 R CA 0.415 56.706 56.100 0.318 0.000 1.066 130 R CB 0.177 30.611 30.300 0.224 0.000 0.991 130 R HN 0.748 nan 8.270 nan 0.000 0.486 131 Q N 0.238 120.107 119.800 0.115 0.000 2.345 131 Q HA 0.236 4.575 4.340 -0.002 0.000 0.275 131 Q C -1.765 174.046 176.000 -0.315 0.000 1.063 131 Q CA -1.006 54.644 55.803 -0.255 0.000 0.819 131 Q CB 2.115 30.614 28.738 -0.399 0.000 1.356 131 Q HN 0.126 nan 8.270 nan 0.000 0.418 132 Y N 0.262 120.137 120.300 -0.709 0.000 2.360 132 Y HA 0.941 5.490 4.550 -0.002 0.000 0.337 132 Y C 0.315 175.934 175.900 -0.469 0.000 1.039 132 Y CA -0.127 57.617 58.100 -0.593 0.000 1.109 132 Y CB 1.541 39.484 38.460 -0.861 0.000 1.201 132 Y HN 0.724 nan 8.280 nan 0.000 0.458 133 G N 1.032 109.709 108.800 -0.206 0.000 2.332 133 G HA2 0.280 4.239 3.960 -0.002 0.000 0.265 133 G HA3 0.280 4.239 3.960 -0.002 0.000 0.265 133 G C -1.523 173.314 174.900 -0.106 0.000 1.329 133 G CA -0.720 44.263 45.100 -0.195 0.000 0.949 133 G HN 0.681 nan 8.290 nan 0.000 0.476 134 T N 1.075 115.564 114.554 -0.107 0.000 2.758 134 T HA 0.787 5.136 4.350 -0.002 0.000 0.285 134 T C -0.094 174.575 174.700 -0.051 0.000 0.981 134 T CA 0.048 62.113 62.100 -0.060 0.000 0.965 134 T CB 1.388 70.217 68.868 -0.065 0.000 0.927 134 T HN 0.714 nan 8.240 nan 0.000 0.448 135 S N 1.749 117.459 115.700 0.016 0.000 2.851 135 S HA 0.844 5.313 4.470 -0.002 0.000 0.313 135 S C -1.597 173.124 174.600 0.202 0.000 1.163 135 S CA -0.976 57.275 58.200 0.084 0.000 0.850 135 S CB 1.500 64.720 63.200 0.033 0.000 1.245 135 S HN 0.816 nan 8.310 nan 0.000 0.558 136 W N 0.647 121.861 121.300 -0.144 0.000 3.025 136 W HA 0.697 5.356 4.660 -0.002 0.000 0.343 136 W C -2.397 174.078 176.519 -0.074 0.000 1.246 136 W CA -1.245 56.000 57.345 -0.166 0.000 1.178 136 W CB -0.110 29.164 29.460 -0.309 0.000 1.463 136 W HN 0.760 nan 8.180 nan 0.000 0.578 137 Y N -0.028 120.221 120.300 -0.085 0.000 2.576 137 Y HA 0.825 5.374 4.550 -0.002 0.000 0.346 137 Y C -0.741 174.905 175.900 -0.424 0.000 1.018 137 Y CA -1.318 56.508 58.100 -0.458 0.000 1.050 137 Y CB 1.699 39.979 38.460 -0.300 0.000 1.280 137 Y HN 0.776 nan 8.280 nan 0.000 0.474 138 H N -1.916 116.888 119.070 -0.443 0.000 2.987 138 H HA 0.516 5.071 4.556 -0.002 0.000 0.316 138 H C -1.408 173.747 175.328 -0.287 0.000 1.380 138 H CA -0.949 54.868 56.048 -0.386 0.000 1.160 138 H CB 0.863 30.148 29.762 -0.795 0.000 1.865 138 H HN 0.791 nan 8.280 nan 0.000 0.521 139 S N -0.640 115.097 115.700 0.061 0.000 2.593 139 S HA 0.108 4.577 4.470 -0.002 0.000 0.269 139 S C -0.055 174.645 174.600 0.167 0.000 1.334 139 S CA -0.282 57.974 58.200 0.093 0.000 1.015 139 S CB 0.183 63.487 63.200 0.173 0.000 0.912 139 S HN 0.798 nan 8.310 nan 0.000 0.541 140 H N 2.249 121.404 119.070 0.142 0.000 2.785 140 H HA 0.247 4.801 4.556 -0.002 0.000 0.268 140 H C -0.879 174.562 175.328 0.188 0.000 1.153 140 H CA -0.352 55.785 56.048 0.148 0.000 1.111 140 H CB -0.032 29.756 29.762 0.043 0.000 1.633 140 H HN 0.574 nan 8.280 nan 0.000 0.576 141 F N 2.143 122.181 119.950 0.146 0.000 2.566 141 F HA 0.213 4.739 4.527 -0.002 0.000 0.349 141 F C 0.951 176.877 175.800 0.210 0.000 1.245 141 F CA 0.289 58.330 58.000 0.068 0.000 1.169 141 F CB -0.239 38.681 39.000 -0.133 0.000 1.470 141 F HN 0.062 nan 8.300 nan 0.000 0.634 142 S N 2.382 118.192 115.700 0.184 0.000 4.059 142 S HA -0.329 4.140 4.470 -0.002 0.000 0.624 142 S C 0.753 175.478 174.600 0.208 0.000 2.019 142 S CA 1.061 59.367 58.200 0.176 0.000 4.197 142 S CB -1.416 61.870 63.200 0.143 0.000 0.215 142 S HN 1.054 nan 8.310 nan 0.000 0.609 143 A N 0.842 123.777 122.820 0.191 0.000 2.842 143 A HA 0.433 4.752 4.320 -0.002 0.000 0.298 143 A C 1.258 178.911 177.584 0.114 0.000 1.293 143 A CA 0.754 52.863 52.037 0.120 0.000 0.959 143 A CB -0.169 18.912 19.000 0.135 0.000 1.119 143 A HN 0.559 nan 8.150 nan 0.000 0.564 144 Q N -0.480 119.456 119.800 0.227 0.000 2.181 144 Q HA -0.240 4.099 4.340 -0.002 0.000 0.205 144 Q C 1.556 177.665 176.000 0.182 0.000 0.980 144 Q CA 2.234 58.171 55.803 0.223 0.000 0.862 144 Q CB -0.338 28.576 28.738 0.293 0.000 0.905 144 Q HN 0.989 nan 8.270 nan 0.000 0.429 145 Y N -2.172 118.183 120.300 0.091 0.000 2.483 145 Y HA 0.101 4.650 4.550 -0.002 0.000 0.291 145 Y C 1.680 177.621 175.900 0.069 0.000 1.143 145 Y CA 0.982 59.125 58.100 0.071 0.000 1.289 145 Y CB -0.730 37.768 38.460 0.064 0.000 0.983 145 Y HN 0.009 nan 8.280 nan 0.000 0.556 146 G N 0.641 109.299 108.800 -0.237 0.000 2.534 146 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.217 146 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.217 146 G C 1.181 176.091 174.900 0.017 0.000 1.128 146 G CA 0.556 45.555 45.100 -0.168 0.000 0.784 146 G HN 0.411 nan 8.290 nan 0.000 0.542 147 N N 0.233 118.951 118.700 0.030 0.000 2.353 147 N HA 0.154 4.892 4.740 -0.002 0.000 0.185 147 N C 1.597 177.091 175.510 -0.026 0.000 1.098 147 N CA 0.904 53.963 53.050 0.015 0.000 0.872 147 N CB 0.699 39.196 38.487 0.017 0.000 0.970 147 N HN 0.410 nan 8.380 nan 0.000 0.467 148 G N -0.820 107.993 108.800 0.021 0.000 2.227 148 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.168 148 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.168 148 G C -0.118 174.789 174.900 0.013 0.000 1.006 148 G CA -0.254 44.840 45.100 -0.010 0.000 0.684 148 G HN 0.116 nan 8.290 nan 0.000 0.489 149 V N 1.898 121.852 119.914 0.066 0.000 2.054 149 V HA 0.512 4.630 4.120 -0.002 0.000 0.243 149 V C 0.410 176.575 176.094 0.120 0.000 1.480 149 V CA 0.124 62.468 62.300 0.074 0.000 1.440 149 V CB 0.277 32.154 31.823 0.091 0.000 1.489 149 V HN 0.300 nan 8.190 nan 0.000 0.502 150 V N 1.446 121.388 119.914 0.048 0.000 3.114 150 V HA 1.025 5.144 4.120 -0.002 0.000 0.308 150 V C 0.304 176.219 176.094 -0.299 0.000 1.168 150 V CA -0.046 62.245 62.300 -0.015 0.000 1.015 150 V CB 2.369 34.289 31.823 0.161 0.000 1.050 150 V HN 0.690 nan 8.190 nan 0.000 0.433 151 G N 0.600 108.977 108.800 -0.704 0.000 2.441 151 G HA2 0.636 4.595 3.960 -0.002 0.000 0.294 151 G HA3 0.636 4.595 3.960 -0.002 0.000 0.294 151 G C -0.841 173.557 174.900 -0.836 0.000 1.393 151 G CA 0.193 44.746 45.100 -0.911 0.000 0.796 151 G HN 0.990 nan 8.290 nan 0.000 0.494 152 T N -2.044 112.290 114.554 -0.366 0.000 2.950 152 T HA 0.815 5.163 4.350 -0.002 0.000 0.288 152 T C -0.419 174.396 174.700 0.192 0.000 1.035 152 T CA -0.725 61.343 62.100 -0.054 0.000 1.028 152 T CB 1.764 70.618 68.868 -0.024 0.000 1.109 152 T HN 0.579 nan 8.240 nan 0.000 0.514 153 I N 1.116 121.812 120.570 0.209 0.000 2.499 153 I HA 0.380 4.548 4.170 -0.002 0.000 0.288 153 I C -0.600 175.607 176.117 0.151 0.000 1.048 153 I CA -0.647 60.808 61.300 0.258 0.000 1.062 153 I CB 2.307 40.513 38.000 0.342 0.000 1.238 153 I HN 0.690 nan 8.210 nan 0.000 0.426 154 Q N 7.101 126.985 119.800 0.140 0.000 2.394 154 Q HA 0.433 4.771 4.340 -0.002 0.000 0.261 154 Q C -1.565 174.502 176.000 0.112 0.000 1.023 154 Q CA -0.627 55.233 55.803 0.096 0.000 0.720 154 Q CB 1.353 30.141 28.738 0.083 0.000 1.241 154 Q HN 0.501 nan 8.270 nan 0.000 0.483 155 I N 3.777 124.400 120.570 0.088 0.000 2.291 155 I HA 0.243 4.412 4.170 -0.002 0.000 0.290 155 I C 0.053 176.199 176.117 0.048 0.000 1.050 155 I CA -0.543 60.816 61.300 0.099 0.000 1.245 155 I CB 0.531 38.593 38.000 0.104 0.000 1.405 155 I HN 0.571 nan 8.210 nan 0.000 0.478 156 N N 4.694 123.443 118.700 0.081 0.000 2.492 156 N HA 0.468 5.207 4.740 -0.002 0.000 0.260 156 N C 0.447 175.726 175.510 -0.385 0.000 1.215 156 N CA 0.338 53.400 53.050 0.019 0.000 0.923 156 N CB 1.808 40.448 38.487 0.255 0.000 1.092 156 N HN 0.879 nan 8.380 nan 0.000 0.448 157 G N 0.885 109.211 108.800 -0.789 0.000 2.489 157 G HA2 0.363 4.322 3.960 -0.002 0.000 0.305 157 G HA3 0.363 4.322 3.960 -0.002 0.000 0.305 157 G C -3.108 171.138 174.900 -1.091 0.000 1.311 157 G CA -0.610 43.462 45.100 -1.714 0.000 0.813 157 G HN 0.296 nan 8.290 nan 0.000 0.480 158 P HA 0.533 nan 4.420 nan 0.000 0.274 158 P C -0.405 176.855 177.300 -0.067 0.000 1.260 158 P CA 0.163 63.102 63.100 -0.268 0.000 0.793 158 P CB 1.509 33.102 31.700 -0.178 0.000 1.048 159 A N -0.237 122.634 122.820 0.085 0.000 2.566 159 A HA 0.496 4.814 4.320 -0.002 0.000 0.292 159 A C 0.741 178.410 177.584 0.142 0.000 1.112 159 A CA -0.153 51.987 52.037 0.172 0.000 0.707 159 A CB 0.621 19.827 19.000 0.343 0.000 1.302 159 A HN 0.463 nan 8.150 nan 0.000 0.409 160 S N -0.627 115.157 115.700 0.141 0.000 2.593 160 S HA 0.435 4.904 4.470 -0.002 0.000 0.217 160 S C -0.035 174.629 174.600 0.107 0.000 0.966 160 S CA 0.369 58.636 58.200 0.113 0.000 0.914 160 S CB -0.477 62.782 63.200 0.098 0.000 0.776 160 S HN 0.954 nan 8.310 nan 0.000 0.523 161 L N 1.679 122.984 121.223 0.137 0.000 2.545 161 L HA 0.549 4.888 4.340 -0.002 0.000 0.258 161 L C -2.793 174.165 176.870 0.148 0.000 0.942 161 L CA -1.690 53.227 54.840 0.129 0.000 0.855 161 L CB 2.093 44.232 42.059 0.133 0.000 1.374 161 L HN -0.168 nan 8.230 nan 0.000 0.411 162 P HA 0.330 nan 4.420 nan 0.000 0.275 162 P C -1.887 175.461 177.300 0.082 0.000 1.228 162 P CA 0.107 63.197 63.100 -0.016 0.000 0.786 162 P CB 0.633 32.318 31.700 -0.024 0.000 0.927 163 Y N -1.279 119.023 120.300 0.003 0.000 2.609 163 Y HA 0.454 5.003 4.550 -0.002 0.000 0.336 163 Y C 0.247 176.121 175.900 -0.044 0.000 1.129 163 Y CA -0.962 57.125 58.100 -0.022 0.000 1.040 163 Y CB 0.312 38.765 38.460 -0.011 0.000 1.310 163 Y HN 0.119 nan 8.280 nan 0.000 0.460 164 D N 1.200 121.657 120.400 0.094 0.000 2.369 164 D HA 0.201 4.840 4.640 -0.002 0.000 0.231 164 D C 0.134 176.455 176.300 0.036 0.000 0.967 164 D CA 1.207 55.199 54.000 -0.013 0.000 0.905 164 D CB 1.031 41.770 40.800 -0.101 0.000 1.044 164 D HN 0.479 nan 8.370 nan 0.000 0.487 165 I N 1.033 121.615 120.570 0.021 0.000 2.569 165 I HA 0.159 4.327 4.170 -0.002 0.000 0.296 165 I C -0.635 175.542 176.117 0.100 0.000 1.028 165 I CA -0.839 60.481 61.300 0.033 0.000 1.082 165 I CB 2.505 40.457 38.000 -0.080 0.000 1.264 165 I HN -0.295 nan 8.210 nan 0.000 0.429 166 D N 6.073 126.535 120.400 0.104 0.000 2.443 166 D HA 0.281 4.920 4.640 -0.002 0.000 0.221 166 D C 0.712 177.010 176.300 -0.004 0.000 1.097 166 D CA -0.199 53.814 54.000 0.023 0.000 0.865 166 D CB 1.123 41.986 40.800 0.106 0.000 1.034 166 D HN 0.440 nan 8.370 nan 0.000 0.511 167 L N 2.833 124.027 121.223 -0.048 0.000 2.456 167 L HA 0.117 4.456 4.340 -0.002 0.000 0.224 167 L C 1.591 178.417 176.870 -0.075 0.000 1.148 167 L CA 0.667 55.460 54.840 -0.078 0.000 0.825 167 L CB -0.749 41.214 42.059 -0.160 0.000 0.937 167 L HN 0.673 nan 8.230 nan 0.000 0.450 168 G N -0.273 108.496 108.800 -0.052 0.000 2.568 168 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.222 168 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.222 168 G C -0.226 174.666 174.900 -0.013 0.000 1.321 168 G CA -0.371 44.718 45.100 -0.018 0.000 0.893 168 G HN 0.234 nan 8.290 nan 0.000 0.569 169 V N -2.881 117.045 119.914 0.021 0.000 2.811 169 V HA 0.699 4.818 4.120 -0.002 0.000 0.302 169 V C 0.302 176.480 176.094 0.140 0.000 1.063 169 V CA 0.042 62.367 62.300 0.043 0.000 1.088 169 V CB 1.396 33.228 31.823 0.015 0.000 0.982 169 V HN 1.520 nan 8.190 nan 0.000 0.485 170 F N 6.106 125.982 119.950 -0.124 0.000 2.710 170 F HA 0.529 5.055 4.527 -0.002 0.000 0.345 170 F C -2.533 173.175 175.800 -0.154 0.000 1.362 170 F CA -2.784 55.126 58.000 -0.150 0.000 1.175 170 F CB 1.605 40.503 39.000 -0.170 0.000 1.561 170 F HN 0.481 nan 8.300 nan 0.000 0.593 171 P HA 0.215 nan 4.420 nan 0.000 0.282 171 P C -0.584 176.506 177.300 -0.349 0.000 1.274 171 P CA 0.015 62.950 63.100 -0.274 0.000 0.770 171 P CB 1.238 32.796 31.700 -0.236 0.000 0.867 172 I N 2.961 123.341 120.570 -0.317 0.000 2.354 172 I HA 0.475 4.644 4.170 -0.002 0.000 0.292 172 I C 0.824 176.870 176.117 -0.118 0.000 0.989 172 I CA -0.308 60.786 61.300 -0.343 0.000 1.188 172 I CB 1.097 38.811 38.000 -0.478 0.000 1.342 172 I HN 0.290 nan 8.210 nan 0.000 0.457 173 T N 4.019 118.529 114.554 -0.073 0.000 2.883 173 T HA 0.445 4.794 4.350 -0.002 0.000 0.301 173 T C -1.214 173.610 174.700 0.206 0.000 1.158 173 T CA -0.634 61.536 62.100 0.117 0.000 1.007 173 T CB 1.605 70.483 68.868 0.016 0.000 1.186 173 T HN 0.667 nan 8.240 nan 0.000 0.499 174 D N 1.438 121.984 120.400 0.244 0.000 2.313 174 D HA 0.315 4.953 4.640 -0.002 0.000 0.247 174 D C -1.063 175.269 176.300 0.055 0.000 1.094 174 D CA -0.159 53.916 54.000 0.125 0.000 0.925 174 D CB 0.446 41.268 40.800 0.037 0.000 1.188 174 D HN 0.430 nan 8.370 nan 0.000 0.430 175 Y N 0.809 120.914 120.300 -0.324 0.000 2.346 175 Y HA 0.389 4.937 4.550 -0.002 0.000 0.332 175 Y C -1.807 173.789 175.900 -0.506 0.000 0.985 175 Y CA -1.117 56.841 58.100 -0.238 0.000 1.112 175 Y CB 0.972 39.380 38.460 -0.087 0.000 1.170 175 Y HN 0.328 nan 8.280 nan 0.000 0.447 176 Y N 4.543 124.643 120.300 -0.334 0.000 2.487 176 Y HA 0.303 4.852 4.550 -0.002 0.000 0.337 176 Y C -0.091 175.555 175.900 -0.423 0.000 1.076 176 Y CA -0.778 57.101 58.100 -0.368 0.000 1.115 176 Y CB 0.907 39.286 38.460 -0.136 0.000 1.235 176 Y HN 0.571 nan 8.280 nan 0.000 0.468 177 Y N -0.358 119.867 120.300 -0.126 0.000 2.420 177 Y HA 0.166 4.715 4.550 -0.002 0.000 0.292 177 Y C 0.824 176.688 175.900 -0.061 0.000 1.119 177 Y CA -0.188 57.830 58.100 -0.137 0.000 1.229 177 Y CB -0.115 38.302 38.460 -0.073 0.000 1.026 177 Y HN 0.314 nan 8.280 nan 0.000 0.554 178 R N 0.472 121.034 120.500 0.103 0.000 2.441 178 R HA 0.508 4.847 4.340 -0.002 0.000 0.284 178 R C 0.267 176.576 176.300 0.016 0.000 1.070 178 R CA -0.237 55.877 56.100 0.024 0.000 1.047 178 R CB 0.699 30.961 30.300 -0.064 0.000 1.016 178 R HN 0.088 nan 8.270 nan 0.000 0.477 179 A N 1.874 124.699 122.820 0.008 0.000 2.425 179 A HA 0.324 4.642 4.320 -0.002 0.000 0.242 179 A C 1.269 178.857 177.584 0.006 0.000 1.077 179 A CA 0.334 52.382 52.037 0.017 0.000 0.781 179 A CB 0.374 19.385 19.000 0.018 0.000 1.020 179 A HN 0.934 nan 8.150 nan 0.000 0.494 180 A N 0.643 123.491 122.820 0.047 0.000 1.940 180 A HA -0.171 4.147 4.320 -0.002 0.000 0.219 180 A C 1.578 179.216 177.584 0.090 0.000 1.176 180 A CA 2.087 54.181 52.037 0.096 0.000 0.631 180 A CB -0.524 18.547 19.000 0.118 0.000 0.814 180 A HN 0.831 nan 8.150 nan 0.000 0.446 181 D N -0.751 119.691 120.400 0.070 0.000 2.183 181 D HA -0.120 4.519 4.640 -0.002 0.000 0.203 181 D C 1.517 177.842 176.300 0.041 0.000 0.969 181 D CA 1.585 55.625 54.000 0.068 0.000 0.842 181 D CB -0.231 40.592 40.800 0.038 0.000 0.957 181 D HN 0.639 nan 8.370 nan 0.000 0.484 182 D N 0.203 120.604 120.400 0.001 0.000 2.183 182 D HA -0.060 4.579 4.640 -0.002 0.000 0.203 182 D C 2.202 178.494 176.300 -0.012 0.000 0.969 182 D CA 0.511 54.511 54.000 -0.000 0.000 0.842 182 D CB -0.006 40.773 40.800 -0.034 0.000 0.957 182 D HN 0.095 nan 8.370 nan 0.000 0.484 183 L N -0.388 120.753 121.223 -0.136 0.000 2.156 183 L HA -0.039 4.300 4.340 -0.002 0.000 0.208 183 L C 2.451 179.069 176.870 -0.419 0.000 1.095 183 L CA 0.297 54.899 54.840 -0.397 0.000 0.770 183 L CB -0.115 41.517 42.059 -0.712 0.000 0.914 183 L HN 0.026 nan 8.230 nan 0.000 0.439 184 V N -0.702 119.131 119.914 -0.134 0.000 2.427 184 V HA -0.311 3.808 4.120 -0.002 0.000 0.248 184 V C 2.426 178.543 176.094 0.038 0.000 1.051 184 V CA 1.953 64.268 62.300 0.025 0.000 1.048 184 V CB -0.577 31.350 31.823 0.174 0.000 0.666 184 V HN 0.504 nan 8.190 nan 0.000 0.456 185 H N -0.711 118.355 119.070 -0.007 0.000 2.353 185 H HA -0.207 4.348 4.556 -0.002 0.000 0.300 185 H C 1.933 177.275 175.328 0.023 0.000 1.090 185 H CA 2.188 58.248 56.048 0.021 0.000 1.327 185 H CB -0.228 29.551 29.762 0.028 0.000 1.383 185 H HN 0.385 nan 8.280 nan 0.000 0.508 186 F N 1.050 120.918 119.950 -0.136 0.000 2.146 186 F HA -0.158 4.368 4.527 -0.001 0.000 0.298 186 F C 2.535 178.193 175.800 -0.236 0.000 1.096 186 F CA 1.941 59.826 58.000 -0.191 0.000 1.275 186 F CB -0.807 38.067 39.000 -0.210 0.000 1.008 186 F HN 0.309 nan 8.300 nan 0.000 0.480 187 T N -2.145 112.243 114.554 -0.277 0.000 3.072 187 T HA -0.133 4.216 4.350 -0.002 0.000 0.266 187 T C 1.646 176.248 174.700 -0.163 0.000 1.127 187 T CA 1.087 62.980 62.100 -0.344 0.000 1.107 187 T CB -0.457 68.197 68.868 -0.358 0.000 0.910 187 T HN 0.474 nan 8.240 nan 0.000 0.513 188 Q N 0.822 120.564 119.800 -0.096 0.000 2.245 188 Q HA 0.082 4.421 4.340 -0.002 0.000 0.201 188 Q C 1.124 177.189 176.000 0.108 0.000 0.955 188 Q CA 1.103 56.925 55.803 0.031 0.000 0.870 188 Q CB 0.016 28.719 28.738 -0.059 0.000 0.945 188 Q HN 0.648 nan 8.270 nan 0.000 0.461 189 N N -0.780 117.906 118.700 -0.022 0.000 2.143 189 N HA 0.121 4.859 4.740 -0.002 0.000 0.222 189 N C -0.871 174.653 175.510 0.023 0.000 1.264 189 N CA -0.083 52.984 53.050 0.029 0.000 0.897 189 N CB 0.857 39.273 38.487 -0.118 0.000 1.092 189 N HN 0.007 nan 8.380 nan 0.000 0.516 190 N N 0.055 118.585 118.700 -0.283 0.000 2.455 190 N HA 0.466 5.205 4.740 -0.002 0.000 0.278 190 N C -1.179 173.912 175.510 -0.699 0.000 1.291 190 N CA -0.605 52.130 53.050 -0.524 0.000 0.780 190 N CB 1.816 39.573 38.487 -1.217 0.000 1.520 190 N HN -0.070 nan 8.380 nan 0.000 0.486 191 A N 1.561 124.102 122.820 -0.466 0.000 2.425 191 A HA 0.340 4.659 4.320 -0.002 0.000 0.249 191 A C -2.007 175.470 177.584 -0.179 0.000 1.084 191 A CA -0.814 51.012 52.037 -0.352 0.000 0.781 191 A CB -0.520 18.398 19.000 -0.135 0.000 1.019 191 A HN 0.389 nan 8.150 nan 0.000 0.490 192 P HA 0.150 nan 4.420 nan 0.000 0.265 192 P C -2.433 174.972 177.300 0.176 0.000 1.193 192 P CA -0.485 62.636 63.100 0.034 0.000 0.765 192 P CB -0.118 31.687 31.700 0.175 0.000 0.823 193 P HA 0.267 nan 4.420 nan 0.000 0.276 193 P C -0.361 177.178 177.300 0.398 0.000 1.261 193 P CA -0.376 62.848 63.100 0.207 0.000 0.800 193 P CB 0.572 32.302 31.700 0.050 0.000 1.066 194 F N 0.310 120.296 119.950 0.059 0.000 2.406 194 F HA 0.129 4.655 4.527 -0.002 0.000 0.327 194 F C 1.530 177.341 175.800 0.020 0.000 1.153 194 F CA -0.769 57.227 58.000 -0.005 0.000 1.218 194 F CB 0.232 39.172 39.000 -0.101 0.000 1.215 194 F HN 0.266 nan 8.300 nan 0.000 0.570 195 S N 0.994 116.689 115.700 -0.008 0.000 2.576 195 S HA 0.107 4.576 4.470 -0.002 0.000 0.276 195 S C 0.596 175.020 174.600 -0.294 0.000 1.339 195 S CA -0.737 57.225 58.200 -0.396 0.000 1.039 195 S CB 0.876 63.792 63.200 -0.473 0.000 0.902 195 S HN 0.540 nan 8.310 nan 0.000 0.516 196 D N 0.886 121.001 120.400 -0.476 0.000 2.183 196 D HA 0.062 4.701 4.640 -0.002 0.000 0.203 196 D C 0.491 176.636 176.300 -0.258 0.000 0.969 196 D CA 1.087 54.800 54.000 -0.478 0.000 0.842 196 D CB -0.118 39.958 40.800 -1.206 0.000 0.957 196 D HN 0.525 nan 8.370 nan 0.000 0.484 197 N N -1.212 117.385 118.700 -0.172 0.000 3.116 197 N HA 0.192 4.930 4.740 -0.002 0.000 0.244 197 N C -1.987 173.522 175.510 -0.001 0.000 1.485 197 N CA -0.482 52.558 53.050 -0.017 0.000 0.884 197 N CB 1.995 40.539 38.487 0.095 0.000 1.415 197 N HN -0.346 nan 8.380 nan 0.000 0.524 198 V N 2.057 121.966 119.914 -0.008 0.000 2.447 198 V HA 0.458 4.577 4.120 -0.002 0.000 0.292 198 V C -0.234 175.783 176.094 -0.128 0.000 1.021 198 V CA -0.635 61.645 62.300 -0.033 0.000 0.850 198 V CB 1.361 33.149 31.823 -0.058 0.000 1.005 198 V HN 0.445 nan 8.190 nan 0.000 0.426 199 L N 5.835 126.971 121.223 -0.145 0.000 2.349 199 L HA 0.562 4.901 4.340 -0.002 0.000 0.275 199 L C -0.424 176.287 176.870 -0.265 0.000 1.115 199 L CA -0.203 54.510 54.840 -0.213 0.000 0.820 199 L CB 1.084 43.002 42.059 -0.233 0.000 1.135 199 L HN 0.467 nan 8.230 nan 0.000 0.445 200 I N 3.646 124.044 120.570 -0.287 0.000 2.420 200 I HA 0.190 4.359 4.170 -0.002 0.000 0.282 200 I C 0.010 175.854 176.117 -0.455 0.000 1.019 200 I CA -0.472 60.561 61.300 -0.444 0.000 1.130 200 I CB 1.241 39.020 38.000 -0.368 0.000 1.262 200 I HN 0.713 nan 8.210 nan 0.000 0.454 201 N N 5.274 123.669 118.700 -0.508 0.000 2.714 201 N HA -0.199 4.540 4.740 -0.002 0.000 0.253 201 N C 0.810 176.213 175.510 -0.178 0.000 1.024 201 N CA 1.302 54.157 53.050 -0.324 0.000 0.726 201 N CB -0.707 37.618 38.487 -0.270 0.000 0.908 201 N HN 1.108 nan 8.380 nan 0.000 0.542 202 G N -2.159 106.539 108.800 -0.170 0.000 2.179 202 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.260 202 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.260 202 G C 0.311 175.129 174.900 -0.136 0.000 0.977 202 G CA 1.090 46.120 45.100 -0.117 0.000 0.641 202 G HN 1.147 nan 8.290 nan 0.000 0.533 203 T N -1.073 113.386 114.554 -0.159 0.000 2.843 203 T HA 0.909 5.257 4.350 -0.002 0.000 0.302 203 T C -0.748 173.856 174.700 -0.159 0.000 1.232 203 T CA 0.849 62.854 62.100 -0.158 0.000 1.009 203 T CB 1.539 70.343 68.868 -0.107 0.000 1.254 203 T HN 1.968 nan 8.240 nan 0.000 0.504 204 A N 1.545 124.261 122.820 -0.173 0.000 2.586 204 A HA 0.707 5.026 4.320 -0.002 0.000 0.291 204 A C -1.593 175.858 177.584 -0.221 0.000 1.062 204 A CA -0.568 51.366 52.037 -0.171 0.000 0.666 204 A CB 1.035 19.945 19.000 -0.149 0.000 1.281 204 A HN 0.787 nan 8.150 nan 0.000 0.421 205 V N 1.936 121.665 119.914 -0.308 0.000 2.539 205 V HA 0.349 4.468 4.120 -0.002 0.000 0.292 205 V C 0.382 176.384 176.094 -0.153 0.000 1.045 205 V CA -0.923 61.180 62.300 -0.328 0.000 0.945 205 V CB 1.712 33.152 31.823 -0.637 0.000 0.993 205 V HN 0.822 nan 8.190 nan 0.000 0.464 206 N N 6.148 124.794 118.700 -0.089 0.000 2.442 206 N HA 0.164 4.902 4.740 -0.002 0.000 0.265 206 N C -1.472 174.034 175.510 -0.008 0.000 1.138 206 N CA -1.422 51.625 53.050 -0.005 0.000 0.956 206 N CB 1.873 40.367 38.487 0.012 0.000 1.067 206 N HN 0.399 nan 8.380 nan 0.000 0.474 207 P HA -0.033 nan 4.420 nan 0.000 0.234 207 P C -0.144 177.175 177.300 0.032 0.000 1.167 207 P CA 1.051 64.165 63.100 0.024 0.000 0.763 207 P CB 0.569 32.285 31.700 0.027 0.000 0.835 208 N N -0.464 118.257 118.700 0.034 0.000 2.511 208 N HA -0.039 4.700 4.740 -0.002 0.000 0.190 208 N C 1.755 177.277 175.510 0.021 0.000 1.037 208 N CA 1.148 54.218 53.050 0.032 0.000 0.895 208 N CB -0.443 38.069 38.487 0.043 0.000 1.149 208 N HN 0.092 nan 8.380 nan 0.000 0.437 209 T N -2.695 111.867 114.554 0.013 0.000 3.057 209 T HA 0.272 4.620 4.350 -0.002 0.000 0.254 209 T C 1.650 176.346 174.700 -0.007 0.000 1.094 209 T CA 0.689 62.789 62.100 -0.000 0.000 1.088 209 T CB 0.197 69.058 68.868 -0.012 0.000 0.934 209 T HN 0.323 nan 8.240 nan 0.000 0.497 210 G N 1.173 109.966 108.800 -0.011 0.000 2.184 210 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.264 210 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.264 210 G C -0.100 174.771 174.900 -0.048 0.000 0.975 210 G CA 0.307 45.394 45.100 -0.021 0.000 0.642 210 G HN 0.672 nan 8.290 nan 0.000 0.536 211 E N 0.046 120.215 120.200 -0.051 0.000 2.392 211 E HA 0.490 4.839 4.350 -0.002 0.000 0.256 211 E C 0.992 177.532 176.600 -0.100 0.000 1.145 211 E CA 0.522 56.882 56.400 -0.066 0.000 0.929 211 E CB 0.763 30.427 29.700 -0.060 0.000 0.998 211 E HN 1.465 nan 8.360 nan 0.000 0.442 212 G N 0.578 109.315 108.800 -0.106 0.000 2.500 212 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.209 212 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.209 212 G C -1.131 173.685 174.900 -0.139 0.000 1.283 212 G CA -0.379 44.642 45.100 -0.133 0.000 0.960 212 G HN 0.534 nan 8.290 nan 0.000 0.528 213 Q N -1.257 118.448 119.800 -0.157 0.000 2.377 213 Q HA 0.588 4.927 4.340 -0.002 0.000 0.279 213 Q C -1.480 174.460 176.000 -0.101 0.000 1.049 213 Q CA -0.839 54.901 55.803 -0.104 0.000 0.825 213 Q CB 1.750 30.462 28.738 -0.043 0.000 1.401 213 Q HN 0.615 nan 8.270 nan 0.000 0.404 214 Y N 0.392 120.721 120.300 0.048 0.000 2.304 214 Y HA 0.460 5.009 4.550 -0.002 0.000 0.327 214 Y C 0.622 176.555 175.900 0.054 0.000 1.209 214 Y CA -0.004 58.149 58.100 0.087 0.000 1.299 214 Y CB 1.233 39.815 38.460 0.204 0.000 1.249 214 Y HN 0.659 nan 8.280 nan 0.000 0.519 215 A N 2.935 125.888 122.820 0.221 0.000 2.520 215 A HA 0.149 4.467 4.320 -0.002 0.000 0.245 215 A C -0.098 177.572 177.584 0.143 0.000 1.072 215 A CA -0.255 51.856 52.037 0.124 0.000 0.761 215 A CB -0.264 18.779 19.000 0.071 0.000 1.004 215 A HN 0.709 nan 8.150 nan 0.000 0.499 216 N N 2.263 120.991 118.700 0.047 0.000 2.479 216 N HA 0.440 5.179 4.740 -0.002 0.000 0.261 216 N C -1.387 174.029 175.510 -0.156 0.000 0.979 216 N CA -0.280 52.753 53.050 -0.029 0.000 0.930 216 N CB 1.440 39.912 38.487 -0.026 0.000 1.172 216 N HN 0.256 nan 8.380 nan 0.000 0.499 217 V N 2.665 122.360 119.914 -0.364 0.000 2.398 217 V HA 0.405 4.524 4.120 -0.002 0.000 0.286 217 V C 0.330 176.157 176.094 -0.445 0.000 1.026 217 V CA -0.576 61.354 62.300 -0.615 0.000 0.868 217 V CB 1.425 32.373 31.823 -1.459 0.000 0.982 217 V HN 0.551 nan 8.190 nan 0.000 0.443 218 T N 7.097 121.482 114.554 -0.282 0.000 2.738 218 T HA 0.525 4.874 4.350 -0.002 0.000 0.298 218 T C -0.116 174.433 174.700 -0.252 0.000 0.962 218 T CA -0.136 61.877 62.100 -0.145 0.000 0.972 218 T CB 0.183 69.044 68.868 -0.011 0.000 0.928 218 T HN 0.337 nan 8.240 nan 0.000 0.474 219 L N 3.176 124.186 121.223 -0.354 0.000 2.334 219 L HA 0.414 4.752 4.340 -0.002 0.000 0.277 219 L C 0.701 177.399 176.870 -0.285 0.000 1.075 219 L CA -0.774 53.729 54.840 -0.562 0.000 0.804 219 L CB 1.099 42.637 42.059 -0.869 0.000 1.174 219 L HN 0.513 nan 8.230 nan 0.000 0.438 220 T N 3.177 117.760 114.554 0.047 0.000 2.743 220 T HA 0.263 4.612 4.350 -0.002 0.000 0.293 220 T C -2.383 172.344 174.700 0.044 0.000 0.945 220 T CA -1.234 60.910 62.100 0.075 0.000 1.030 220 T CB 1.089 70.024 68.868 0.113 0.000 0.912 220 T HN 0.294 nan 8.240 nan 0.000 0.483 221 P HA 0.170 nan 4.420 nan 0.000 0.261 221 P C 1.039 178.402 177.300 0.105 0.000 1.183 221 P CA 0.904 64.078 63.100 0.123 0.000 0.761 221 P CB 0.247 32.055 31.700 0.180 0.000 0.785 222 G N 1.450 110.327 108.800 0.128 0.000 2.155 222 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.257 222 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.257 222 G C 0.095 175.028 174.900 0.055 0.000 0.983 222 G CA -0.045 45.109 45.100 0.090 0.000 0.676 222 G HN 0.467 nan 8.290 nan 0.000 0.528 223 K N -0.385 120.049 120.400 0.056 0.000 2.208 223 K HA 0.647 4.966 4.320 -0.002 0.000 0.247 223 K C 0.225 176.792 176.600 -0.056 0.000 0.953 223 K CA -1.051 55.200 56.287 -0.059 0.000 0.837 223 K CB 1.278 33.649 32.500 -0.215 0.000 1.131 223 K HN 0.170 nan 8.250 nan 0.000 0.431 224 R N 1.280 121.717 120.500 -0.104 0.000 2.254 224 R HA 0.295 4.634 4.340 -0.002 0.000 0.318 224 R C -0.660 175.571 176.300 -0.114 0.000 1.031 224 R CA -0.320 55.784 56.100 0.005 0.000 0.905 224 R CB 0.282 30.620 30.300 0.064 0.000 1.050 224 R HN 0.463 nan 8.270 nan 0.000 0.456 225 H N 0.505 119.577 119.070 0.003 0.000 2.489 225 H HA 0.367 4.922 4.556 -0.002 0.000 0.343 225 H C -0.457 174.795 175.328 -0.126 0.000 1.086 225 H CA -0.830 55.189 56.048 -0.047 0.000 1.198 225 H CB 1.468 31.176 29.762 -0.089 0.000 1.490 225 H HN 0.246 nan 8.280 nan 0.000 0.504 226 R N 2.973 123.383 120.500 -0.150 0.000 2.254 226 R HA 0.376 4.714 4.340 -0.002 0.000 0.318 226 R C -1.317 174.861 176.300 -0.203 0.000 1.031 226 R CA -0.862 55.033 56.100 -0.343 0.000 0.905 226 R CB 0.399 30.170 30.300 -0.882 0.000 1.050 226 R HN 0.461 nan 8.270 nan 0.000 0.456 227 L N 4.878 126.007 121.223 -0.156 0.000 2.333 227 L HA 0.444 4.783 4.340 -0.002 0.000 0.280 227 L C -0.706 176.114 176.870 -0.083 0.000 1.004 227 L CA -0.397 54.356 54.840 -0.145 0.000 0.820 227 L CB 1.591 43.550 42.059 -0.167 0.000 1.247 227 L HN 0.596 nan 8.230 nan 0.000 0.416 228 R N 6.493 126.960 120.500 -0.057 0.000 2.369 228 R HA 0.474 4.813 4.340 -0.002 0.000 0.310 228 R C -0.861 175.467 176.300 0.045 0.000 1.141 228 R CA -0.362 55.729 56.100 -0.015 0.000 1.116 228 R CB 0.176 30.458 30.300 -0.031 0.000 1.135 228 R HN 0.556 nan 8.270 nan 0.000 0.529 229 I N 4.291 124.910 120.570 0.082 0.000 2.416 229 I HA 0.164 4.332 4.170 -0.002 0.000 0.288 229 I C -0.299 175.813 176.117 -0.007 0.000 1.051 229 I CA -0.460 60.914 61.300 0.125 0.000 1.375 229 I CB 0.569 38.699 38.000 0.215 0.000 1.407 229 I HN 0.224 nan 8.210 nan 0.000 0.516 230 L N 6.102 127.265 121.223 -0.100 0.000 2.354 230 L HA 0.483 4.822 4.340 -0.002 0.000 0.264 230 L C -0.178 176.499 176.870 -0.321 0.000 1.008 230 L CA -0.534 54.138 54.840 -0.281 0.000 0.819 230 L CB 1.342 43.167 42.059 -0.390 0.000 1.339 230 L HN 0.436 nan 8.230 nan 0.000 0.420 231 N N -0.063 118.353 118.700 -0.473 0.000 2.626 231 N HA 0.238 4.976 4.740 -0.002 0.000 0.242 231 N C 0.114 175.150 175.510 -0.790 0.000 1.005 231 N CA -0.212 52.594 53.050 -0.406 0.000 0.905 231 N CB 1.101 39.380 38.487 -0.346 0.000 1.128 231 N HN 0.732 nan 8.380 nan 0.000 0.512 232 T N -0.975 113.156 114.554 -0.706 0.000 3.206 232 T HA 0.245 4.594 4.350 -0.002 0.000 0.253 232 T C 0.574 175.079 174.700 -0.326 0.000 1.042 232 T CA -0.350 61.174 62.100 -0.959 0.000 0.931 232 T CB -0.231 68.236 68.868 -0.669 0.000 1.029 232 T HN 0.150 nan 8.240 nan 0.000 0.564 233 S N 2.175 117.734 115.700 -0.235 0.000 2.596 233 S HA 0.259 4.728 4.470 -0.002 0.000 0.260 233 S C 1.697 176.284 174.600 -0.021 0.000 1.336 233 S CA 0.097 58.243 58.200 -0.090 0.000 0.993 233 S CB 0.891 63.953 63.200 -0.231 0.000 0.923 233 S HN 0.722 nan 8.310 nan 0.000 0.567 234 T N -1.985 112.477 114.554 -0.153 0.000 3.037 234 T HA 0.255 4.604 4.350 -0.002 0.000 0.251 234 T C 0.948 175.303 174.700 -0.574 0.000 1.079 234 T CA 0.097 61.915 62.100 -0.469 0.000 1.067 234 T CB 0.169 68.523 68.868 -0.857 0.000 0.948 234 T HN 0.592 nan 8.240 nan 0.000 0.496 235 E N 0.616 120.633 120.200 -0.306 0.000 2.926 235 E HA 0.101 4.449 4.350 -0.002 0.000 0.232 235 E C -0.693 175.893 176.600 -0.022 0.000 1.095 235 E CA -0.063 56.219 56.400 -0.197 0.000 1.755 235 E CB -0.096 29.565 29.700 -0.065 0.000 2.411 235 E HN 0.211 nan 8.360 nan 0.000 1.046 236 N N 1.867 120.519 118.700 -0.080 0.000 2.411 236 N HA 0.037 4.775 4.740 -0.002 0.000 0.261 236 N C -0.979 174.178 175.510 -0.588 0.000 1.248 236 N CA 0.600 53.527 53.050 -0.204 0.000 0.885 236 N CB 0.102 38.430 38.487 -0.265 0.000 1.062 236 N HN 0.166 nan 8.380 nan 0.000 0.471 237 H N 2.006 120.794 119.070 -0.470 0.000 2.476 237 H HA 0.409 4.964 4.556 -0.002 0.000 0.328 237 H C -0.425 174.512 175.328 -0.652 0.000 1.073 237 H CA -0.376 55.338 56.048 -0.557 0.000 1.229 237 H CB 0.335 30.035 29.762 -0.104 0.000 1.432 237 H HN 0.331 nan 8.280 nan 0.000 0.477 238 F N 0.841 120.516 119.950 -0.458 0.000 2.440 238 F HA 0.460 4.986 4.527 -0.002 0.000 0.328 238 F C 0.315 175.767 175.800 -0.580 0.000 1.070 238 F CA -0.825 56.836 58.000 -0.566 0.000 1.011 238 F CB 1.186 39.902 39.000 -0.472 0.000 1.226 238 F HN 0.357 nan 8.300 nan 0.000 0.491 239 Q N 1.332 120.989 119.800 -0.237 0.000 2.321 239 Q HA 0.659 4.997 4.340 -0.002 0.000 0.270 239 Q C -1.395 174.416 176.000 -0.314 0.000 1.032 239 Q CA -0.950 54.699 55.803 -0.256 0.000 0.784 239 Q CB 2.979 31.627 28.738 -0.151 0.000 1.264 239 Q HN 0.576 nan 8.270 nan 0.000 0.448 240 V N -0.754 118.956 119.914 -0.340 0.000 2.823 240 V HA 0.979 5.098 4.120 -0.002 0.000 0.312 240 V C -0.595 175.211 176.094 -0.479 0.000 1.072 240 V CA -0.611 61.387 62.300 -0.503 0.000 0.937 240 V CB 1.845 33.361 31.823 -0.513 0.000 1.013 240 V HN 0.836 nan 8.190 nan 0.000 0.430 241 S N 3.431 118.742 115.700 -0.650 0.000 2.565 241 S HA 0.813 5.282 4.470 -0.002 0.000 0.269 241 S C -1.547 172.779 174.600 -0.457 0.000 1.153 241 S CA -0.757 57.193 58.200 -0.417 0.000 0.835 241 S CB 1.803 64.872 63.200 -0.219 0.000 1.122 241 S HN 1.632 nan 8.310 nan 0.000 0.462 242 L N 2.163 123.241 121.223 -0.242 0.000 2.376 242 L HA 0.629 4.968 4.340 -0.002 0.000 0.275 242 L C -0.828 176.034 176.870 -0.013 0.000 0.987 242 L CA -0.687 54.059 54.840 -0.157 0.000 0.828 242 L CB 1.661 43.553 42.059 -0.277 0.000 1.249 242 L HN 0.740 nan 8.230 nan 0.000 0.409 243 V N 6.692 126.660 119.914 0.090 0.000 2.584 243 V HA 0.024 4.143 4.120 -0.002 0.000 0.303 243 V C 1.257 177.453 176.094 0.170 0.000 1.035 243 V CA 0.884 63.283 62.300 0.166 0.000 1.172 243 V CB -0.351 31.644 31.823 0.287 0.000 0.896 243 V HN 1.047 nan 8.190 nan 0.000 0.486 244 N N 1.451 120.182 118.700 0.053 0.000 2.863 244 N HA -0.188 4.551 4.740 -0.002 0.000 0.245 244 N C -0.191 175.135 175.510 -0.307 0.000 1.001 244 N CA 0.933 53.911 53.050 -0.120 0.000 0.901 244 N CB -0.628 37.754 38.487 -0.174 0.000 1.124 244 N HN 0.879 nan 8.380 nan 0.000 0.582 245 H N -0.795 118.171 119.070 -0.172 0.000 2.747 245 H HA 0.494 5.049 4.556 -0.002 0.000 0.371 245 H C 0.157 175.422 175.328 -0.106 0.000 1.161 245 H CA -0.034 55.925 56.048 -0.149 0.000 1.167 245 H CB 1.536 31.191 29.762 -0.179 0.000 1.732 245 H HN 0.076 nan 8.280 nan 0.000 0.544 246 T N -0.622 113.960 114.554 0.048 0.000 2.948 246 T HA 0.692 5.041 4.350 -0.002 0.000 0.285 246 T C -0.064 174.640 174.700 0.007 0.000 1.019 246 T CA -1.057 61.046 62.100 0.006 0.000 1.013 246 T CB 1.129 69.993 68.868 -0.007 0.000 1.117 246 T HN 0.393 nan 8.240 nan 0.000 0.533 247 M N 1.536 121.126 119.600 -0.018 0.000 2.326 247 M HA 0.370 4.849 4.480 -0.002 0.000 0.306 247 M C -0.921 175.365 176.300 -0.024 0.000 1.054 247 M CA -0.633 54.653 55.300 -0.024 0.000 0.922 247 M CB 2.627 35.200 32.600 -0.046 0.000 1.632 247 M HN 0.665 nan 8.290 nan 0.000 0.436 248 T N 2.690 117.239 114.554 -0.008 0.000 2.801 248 T HA 0.373 4.722 4.350 -0.002 0.000 0.306 248 T C 0.004 174.705 174.700 0.003 0.000 1.020 248 T CA -0.556 61.545 62.100 0.001 0.000 0.948 248 T CB 0.561 69.442 68.868 0.022 0.000 0.962 248 T HN 0.381 nan 8.240 nan 0.000 0.465 249 V N 5.685 125.595 119.914 -0.008 0.000 2.529 249 V HA 0.130 4.248 4.120 -0.002 0.000 0.292 249 V C 1.389 177.515 176.094 0.054 0.000 1.028 249 V CA 0.235 62.547 62.300 0.019 0.000 1.074 249 V CB -0.087 31.734 31.823 -0.004 0.000 0.958 249 V HN 0.922 nan 8.190 nan 0.000 0.481 250 I N 1.794 122.401 120.570 0.062 0.000 4.154 250 I HA 0.783 4.952 4.170 -0.002 0.000 0.334 250 I C 0.523 176.671 176.117 0.052 0.000 1.371 250 I CA 0.026 61.363 61.300 0.062 0.000 1.110 250 I CB 0.529 38.568 38.000 0.064 0.000 1.085 250 I HN 0.536 nan 8.210 nan 0.000 0.398 251 A N 1.417 124.277 122.820 0.067 0.000 2.582 251 A HA 0.838 5.157 4.320 -0.002 0.000 0.297 251 A C -1.310 176.312 177.584 0.063 0.000 1.059 251 A CA -0.101 51.948 52.037 0.019 0.000 0.705 251 A CB 1.107 20.070 19.000 -0.062 0.000 1.279 251 A HN 0.389 nan 8.150 nan 0.000 0.404 252 A N 2.580 125.382 122.820 -0.030 0.000 2.311 252 A HA 0.737 5.056 4.320 -0.002 0.000 0.306 252 A C 0.219 177.655 177.584 -0.245 0.000 1.189 252 A CA 0.272 52.189 52.037 -0.200 0.000 0.791 252 A CB 0.108 19.074 19.000 -0.056 0.000 1.172 252 A HN 1.205 nan 8.150 nan 0.000 0.481 253 D N 0.583 120.785 120.400 -0.329 0.000 3.798 253 D HA -0.253 4.386 4.640 -0.002 0.000 0.150 253 D C 0.635 176.816 176.300 -0.197 0.000 0.953 253 D CA 1.984 55.848 54.000 -0.226 0.000 1.089 253 D CB -0.605 40.096 40.800 -0.165 0.000 0.535 253 D HN 0.637 nan 8.370 nan 0.000 0.563 254 M N 0.848 120.330 119.600 -0.197 0.000 2.655 254 M HA 0.276 4.755 4.480 -0.002 0.000 0.311 254 M C -0.829 175.221 176.300 -0.416 0.000 1.229 254 M CA 0.081 55.204 55.300 -0.296 0.000 0.972 254 M CB 0.542 32.963 32.600 -0.299 0.000 1.366 254 M HN 0.061 nan 8.290 nan 0.000 0.500 255 V N 1.412 121.152 119.914 -0.290 0.000 2.378 255 V HA 0.422 4.541 4.120 -0.002 0.000 0.288 255 V C -2.398 173.574 176.094 -0.202 0.000 1.016 255 V CA -1.755 60.397 62.300 -0.247 0.000 0.840 255 V CB 1.258 33.054 31.823 -0.044 0.000 0.994 255 V HN 0.194 nan 8.190 nan 0.000 0.431 256 P HA 0.211 nan 4.420 nan 0.000 0.271 256 P C -0.727 176.575 177.300 0.004 0.000 1.220 256 P CA 0.292 63.321 63.100 -0.117 0.000 0.768 256 P CB 1.107 32.740 31.700 -0.111 0.000 0.848 257 V N 3.998 123.933 119.914 0.034 0.000 2.914 257 V HA 0.382 4.501 4.120 -0.002 0.000 0.314 257 V C -0.413 175.723 176.094 0.070 0.000 1.084 257 V CA -1.017 61.321 62.300 0.064 0.000 0.963 257 V CB 2.104 33.975 31.823 0.080 0.000 1.025 257 V HN 0.403 nan 8.190 nan 0.000 0.432 258 N N 2.966 121.708 118.700 0.070 0.000 2.479 258 N HA 0.273 5.011 4.740 -0.002 0.000 0.257 258 N C 0.152 175.698 175.510 0.061 0.000 1.232 258 N CA 0.455 53.544 53.050 0.065 0.000 0.920 258 N CB 1.156 39.678 38.487 0.058 0.000 1.105 258 N HN 0.956 nan 8.380 nan 0.000 0.444 259 A N 1.993 124.847 122.820 0.057 0.000 2.567 259 A HA 0.063 4.382 4.320 -0.002 0.000 0.240 259 A C 0.382 177.989 177.584 0.039 0.000 1.053 259 A CA 0.531 52.598 52.037 0.049 0.000 0.755 259 A CB -0.250 18.779 19.000 0.049 0.000 0.978 259 A HN 0.735 nan 8.150 nan 0.000 0.507 260 M N 3.824 123.442 119.600 0.030 0.000 2.098 260 M HA 0.211 4.690 4.480 -0.002 0.000 0.265 260 M C -0.809 175.491 176.300 0.000 0.000 0.940 260 M CA -0.153 55.158 55.300 0.018 0.000 1.007 260 M CB 1.323 33.937 32.600 0.023 0.000 1.823 260 M HN 0.663 nan 8.290 nan 0.000 0.453 261 T N 4.322 118.877 114.554 0.001 0.000 2.814 261 T HA 0.475 4.823 4.350 -0.002 0.000 0.297 261 T C -0.094 174.596 174.700 -0.017 0.000 0.956 261 T CA -0.450 61.646 62.100 -0.007 0.000 1.123 261 T CB 0.337 69.205 68.868 -0.000 0.000 0.902 261 T HN 0.554 nan 8.240 nan 0.000 0.528 262 V N 0.398 120.296 119.914 -0.028 0.000 3.130 262 V HA 0.575 4.694 4.120 -0.002 0.000 0.310 262 V C -0.105 175.972 176.094 -0.028 0.000 1.158 262 V CA -0.934 61.349 62.300 -0.029 0.000 1.029 262 V CB 2.383 34.179 31.823 -0.044 0.000 1.057 262 V HN 0.551 nan 8.190 nan 0.000 0.436 263 D N 1.145 121.534 120.400 -0.018 0.000 2.277 263 D HA 0.156 4.795 4.640 -0.002 0.000 0.209 263 D C 0.901 177.185 176.300 -0.026 0.000 0.970 263 D CA 1.642 55.630 54.000 -0.020 0.000 0.874 263 D CB 0.775 41.567 40.800 -0.013 0.000 0.982 263 D HN 0.896 nan 8.370 nan 0.000 0.504 264 S N -0.731 114.974 115.700 0.009 0.000 2.579 264 S HA 0.682 5.151 4.470 -0.002 0.000 0.272 264 S C -1.071 173.532 174.600 0.006 0.000 1.141 264 S CA -0.940 57.263 58.200 0.004 0.000 0.843 264 S CB 2.163 65.429 63.200 0.111 0.000 1.122 264 S HN 0.005 nan 8.310 nan 0.000 0.468 265 L N 1.627 122.751 121.223 -0.166 0.000 2.431 265 L HA 0.620 4.959 4.340 -0.002 0.000 0.266 265 L C -1.504 175.166 176.870 -0.333 0.000 0.978 265 L CA -0.732 53.964 54.840 -0.239 0.000 0.822 265 L CB 2.144 44.009 42.059 -0.323 0.000 1.310 265 L HN 0.835 nan 8.230 nan 0.000 0.409 266 F N 3.697 123.402 119.950 -0.409 0.000 2.408 266 F HA 0.598 5.124 4.527 -0.002 0.000 0.344 266 F C -1.006 174.825 175.800 0.052 0.000 1.112 266 F CA -0.402 57.442 58.000 -0.260 0.000 1.096 266 F CB 0.966 39.868 39.000 -0.163 0.000 1.129 266 F HN 0.182 nan 8.300 nan 0.000 0.486 267 L N 6.545 127.328 121.223 -0.733 0.000 2.377 267 L HA 0.592 4.931 4.340 -0.002 0.000 0.270 267 L C 0.040 176.428 176.870 -0.804 0.000 0.991 267 L CA -0.285 54.275 54.840 -0.467 0.000 0.851 267 L CB 1.230 43.175 42.059 -0.191 0.000 1.218 267 L HN 0.798 nan 8.230 nan 0.000 0.420 268 A N 3.026 125.532 122.820 -0.524 0.000 2.310 268 A HA 0.580 4.899 4.320 -0.002 0.000 0.260 268 A C 0.075 177.319 177.584 -0.568 0.000 1.112 268 A CA -0.475 51.309 52.037 -0.421 0.000 0.804 268 A CB 0.396 19.429 19.000 0.055 0.000 1.081 268 A HN 0.368 nan 8.150 nan 0.000 0.499 269 V N 0.864 120.315 119.914 -0.771 0.000 2.540 269 V HA 0.400 4.518 4.120 -0.002 0.000 0.297 269 V C 1.589 177.412 176.094 -0.453 0.000 1.024 269 V CA 1.729 63.675 62.300 -0.589 0.000 1.105 269 V CB -0.200 31.346 31.823 -0.461 0.000 0.938 269 V HN 1.915 nan 8.190 nan 0.000 0.482 270 G N 3.484 111.946 108.800 -0.562 0.000 2.217 270 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.246 270 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.246 270 G C 0.230 174.897 174.900 -0.388 0.000 0.990 270 G CA 0.146 44.951 45.100 -0.492 0.000 0.627 270 G HN 0.630 nan 8.290 nan 0.000 0.522 271 Q N -0.022 119.561 119.800 -0.361 0.000 2.354 271 Q HA 0.674 5.013 4.340 -0.002 0.000 0.244 271 Q C 0.257 176.033 176.000 -0.373 0.000 0.969 271 Q CA 0.040 55.657 55.803 -0.310 0.000 0.885 271 Q CB 0.690 29.272 28.738 -0.259 0.000 1.241 271 Q HN 0.396 nan 8.270 nan 0.000 0.461 272 R N 0.808 121.076 120.500 -0.387 0.000 2.771 272 R HA 0.551 4.890 4.340 -0.002 0.000 0.274 272 R C -1.699 174.355 176.300 -0.410 0.000 0.987 272 R CA -0.547 55.365 56.100 -0.314 0.000 0.908 272 R CB 1.403 31.561 30.300 -0.237 0.000 1.213 272 R HN 0.471 nan 8.270 nan 0.000 0.468 273 Y N -0.222 120.031 120.300 -0.078 0.000 2.401 273 Y HA 0.286 4.835 4.550 -0.002 0.000 0.330 273 Y C -1.048 174.821 175.900 -0.051 0.000 1.071 273 Y CA -1.065 57.004 58.100 -0.051 0.000 1.049 273 Y CB 2.262 40.705 38.460 -0.029 0.000 1.239 273 Y HN 0.555 nan 8.280 nan 0.000 0.437 274 D N 3.024 123.493 120.400 0.116 0.000 2.317 274 D HA 0.549 5.187 4.640 -0.002 0.000 0.234 274 D C -0.815 175.502 176.300 0.028 0.000 1.112 274 D CA -0.225 53.787 54.000 0.020 0.000 0.840 274 D CB 1.216 41.995 40.800 -0.034 0.000 1.078 274 D HN 0.311 nan 8.370 nan 0.000 0.486 275 V N -0.076 119.834 119.914 -0.008 0.000 2.960 275 V HA 0.719 4.838 4.120 -0.002 0.000 0.315 275 V C -0.519 175.543 176.094 -0.053 0.000 1.087 275 V CA -0.884 61.407 62.300 -0.016 0.000 0.982 275 V CB 2.004 33.825 31.823 -0.005 0.000 1.039 275 V HN 0.184 nan 8.190 nan 0.000 0.437 276 V N 4.403 124.302 119.914 -0.024 0.000 2.384 276 V HA 0.508 4.627 4.120 -0.002 0.000 0.287 276 V C -0.259 175.849 176.094 0.024 0.000 1.020 276 V CA -0.382 61.915 62.300 -0.006 0.000 0.850 276 V CB 1.305 33.151 31.823 0.038 0.000 0.987 276 V HN 0.715 nan 8.190 nan 0.000 0.436 277 I N 3.614 124.210 120.570 0.043 0.000 2.354 277 I HA 0.407 4.576 4.170 -0.002 0.000 0.292 277 I C -0.402 175.791 176.117 0.125 0.000 0.989 277 I CA -0.284 61.046 61.300 0.050 0.000 1.188 277 I CB 1.719 39.710 38.000 -0.016 0.000 1.342 277 I HN 0.565 nan 8.210 nan 0.000 0.457 278 D N 5.254 125.731 120.400 0.128 0.000 2.280 278 D HA 0.417 5.056 4.640 -0.002 0.000 0.236 278 D C 0.344 176.751 176.300 0.178 0.000 1.082 278 D CA -0.382 53.705 54.000 0.145 0.000 0.834 278 D CB 1.748 42.606 40.800 0.097 0.000 1.100 278 D HN 0.618 nan 8.370 nan 0.000 0.486 279 A N 3.191 126.109 122.820 0.162 0.000 2.958 279 A HA 0.148 4.467 4.320 -0.002 0.000 0.247 279 A C 1.433 179.181 177.584 0.274 0.000 1.679 279 A CA 0.231 52.341 52.037 0.121 0.000 1.345 279 A CB -0.873 18.033 19.000 -0.157 0.000 1.013 279 A HN 0.497 nan 8.150 nan 0.000 0.641 280 S N -0.481 115.340 115.700 0.201 0.000 2.527 280 S HA 0.078 4.546 4.470 -0.002 0.000 0.222 280 S C 1.093 175.729 174.600 0.059 0.000 0.985 280 S CA -0.166 58.099 58.200 0.109 0.000 0.921 280 S CB 0.175 63.400 63.200 0.040 0.000 0.772 280 S HN 0.564 nan 8.310 nan 0.000 0.529 281 R N 1.659 122.184 120.500 0.041 0.000 2.517 281 R HA 0.681 5.019 4.340 -0.002 0.000 0.250 281 R C 0.363 176.585 176.300 -0.131 0.000 1.213 281 R CA -0.081 55.939 56.100 -0.134 0.000 1.146 281 R CB -0.372 29.648 30.300 -0.467 0.000 1.279 281 R HN 0.303 nan 8.270 nan 0.000 0.597 282 A N 1.871 124.595 122.820 -0.160 0.000 2.440 282 A HA 0.326 4.645 4.320 -0.002 0.000 0.251 282 A C -1.993 175.367 177.584 -0.373 0.000 1.089 282 A CA -1.124 50.815 52.037 -0.164 0.000 0.779 282 A CB -0.417 18.537 19.000 -0.078 0.000 1.022 282 A HN 0.288 nan 8.150 nan 0.000 0.492 283 P HA 0.240 nan 4.420 nan 0.000 0.264 283 P C -0.689 176.430 177.300 -0.301 0.000 1.229 283 P CA 0.748 63.621 63.100 -0.379 0.000 0.780 283 P CB 0.457 32.096 31.700 -0.102 0.000 0.808 284 D N 2.130 122.311 120.400 -0.365 0.000 2.769 284 D HA 0.154 4.793 4.640 -0.002 0.000 0.309 284 D C -1.226 174.874 176.300 -0.333 0.000 1.315 284 D CA -0.536 53.239 54.000 -0.374 0.000 0.780 284 D CB 0.984 41.437 40.800 -0.578 0.000 1.312 284 D HN 0.046 nan 8.370 nan 0.000 0.437 285 N N 0.846 119.322 118.700 -0.374 0.000 2.455 285 N HA 0.331 5.070 4.740 -0.002 0.000 0.280 285 N C -0.977 174.240 175.510 -0.489 0.000 1.055 285 N CA 0.051 52.961 53.050 -0.234 0.000 0.961 285 N CB 0.798 39.150 38.487 -0.224 0.000 1.121 285 N HN 0.258 nan 8.380 nan 0.000 0.476 286 Y N -0.038 120.247 120.300 -0.025 0.000 2.446 286 Y HA 0.335 4.884 4.550 -0.002 0.000 0.345 286 Y C -0.151 175.772 175.900 0.039 0.000 0.984 286 Y CA -0.890 57.202 58.100 -0.013 0.000 1.058 286 Y CB 1.339 39.870 38.460 0.117 0.000 1.220 286 Y HN 0.421 nan 8.280 nan 0.000 0.455 287 W N 3.383 124.795 121.300 0.187 0.000 2.272 287 W HA 0.330 4.989 4.660 -0.002 0.000 0.318 287 W C -0.664 175.926 176.519 0.117 0.000 1.255 287 W CA -0.544 56.870 57.345 0.115 0.000 1.200 287 W CB 0.620 30.094 29.460 0.023 0.000 1.170 287 W HN 0.384 nan 8.180 nan 0.000 0.549 288 F N 4.698 124.815 119.950 0.278 0.000 2.332 288 F HA 0.371 4.897 4.527 -0.002 0.000 0.368 288 F C -0.413 175.425 175.800 0.065 0.000 1.110 288 F CA -0.849 57.173 58.000 0.036 0.000 1.087 288 F CB 0.088 39.132 39.000 0.072 0.000 1.235 288 F HN 0.243 nan 8.300 nan 0.000 0.470 289 N N 3.943 122.488 118.700 -0.259 0.000 2.456 289 N HA 0.492 5.231 4.740 -0.002 0.000 0.288 289 N C -1.363 173.906 175.510 -0.403 0.000 1.059 289 N CA -0.514 52.387 53.050 -0.249 0.000 0.946 289 N CB 2.024 40.404 38.487 -0.179 0.000 1.150 289 N HN 0.297 nan 8.380 nan 0.000 0.479 290 V N 1.972 121.712 119.914 -0.290 0.000 2.347 290 V HA 0.495 4.614 4.120 -0.002 0.000 0.280 290 V C 0.155 176.060 176.094 -0.315 0.000 1.021 290 V CA -0.406 61.663 62.300 -0.385 0.000 0.847 290 V CB 0.811 32.356 31.823 -0.463 0.000 0.990 290 V HN 0.895 nan 8.190 nan 0.000 0.444 291 T N 1.728 116.070 114.554 -0.353 0.000 2.888 291 T HA 0.805 5.153 4.350 -0.002 0.000 0.288 291 T C -0.941 173.484 174.700 -0.458 0.000 1.063 291 T CA -0.684 61.271 62.100 -0.243 0.000 1.010 291 T CB 1.922 70.746 68.868 -0.072 0.000 1.214 291 T HN 0.107 nan 8.240 nan 0.000 0.533 292 F N -0.425 119.548 119.950 0.038 0.000 2.532 292 F HA 0.749 5.275 4.527 -0.002 0.000 0.321 292 F C 0.822 176.667 175.800 0.075 0.000 1.089 292 F CA -0.428 57.604 58.000 0.054 0.000 0.926 292 F CB 2.416 41.400 39.000 -0.026 0.000 1.168 292 F HN 1.073 nan 8.300 nan 0.000 0.459 293 G N -0.251 108.717 108.800 0.280 0.000 3.175 293 G HA2 0.484 4.443 3.960 -0.002 0.000 0.255 293 G HA3 0.484 4.443 3.960 -0.002 0.000 0.255 293 G C 0.570 175.570 174.900 0.166 0.000 1.352 293 G CA -0.585 44.635 45.100 0.198 0.000 1.037 293 G HN 1.260 nan 8.290 nan 0.000 0.556 294 G N -1.349 107.507 108.800 0.092 0.000 2.166 294 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.260 294 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.260 294 G C 0.574 175.514 174.900 0.066 0.000 0.986 294 G CA 1.051 46.182 45.100 0.053 0.000 0.683 294 G HN 1.492 nan 8.290 nan 0.000 0.527 295 Q N -3.008 116.843 119.800 0.086 0.000 2.451 295 Q HA -0.046 4.293 4.340 -0.002 0.000 0.305 295 Q C 1.354 177.413 176.000 0.098 0.000 1.345 295 Q CA 1.705 57.560 55.803 0.087 0.000 0.854 295 Q CB -1.904 26.872 28.738 0.065 0.000 1.162 295 Q HN 2.394 nan 8.270 nan 0.000 0.440 296 A N -2.167 120.714 122.820 0.103 0.000 2.899 296 A HA -0.241 4.077 4.320 -0.002 0.000 0.257 296 A C 1.558 179.196 177.584 0.089 0.000 1.335 296 A CA 1.663 53.755 52.037 0.091 0.000 0.924 296 A CB -2.017 17.129 19.000 0.243 0.000 1.105 296 A HN 1.369 nan 8.150 nan 0.000 0.765 297 A N -0.918 121.940 122.820 0.064 0.000 2.014 297 A HA 0.123 4.442 4.320 -0.002 0.000 0.218 297 A C 1.785 179.364 177.584 -0.009 0.000 1.163 297 A CA 1.943 54.007 52.037 0.044 0.000 0.652 297 A CB -0.936 18.081 19.000 0.028 0.000 0.808 297 A HN 2.151 nan 8.150 nan 0.000 0.449 298 c N -2.811 115.761 118.600 -0.048 0.000 2.660 298 c HA 0.672 5.240 4.570 -0.002 0.000 0.265 298 c C 0.829 174.887 174.090 -0.054 0.000 1.573 298 c CA -0.551 55.651 56.329 -0.211 0.000 1.751 298 c CB -1.082 41.118 42.510 -0.518 0.000 3.033 298 c HN 1.555 nan 8.230 nan 0.000 0.511 299 G N -0.675 108.103 108.800 -0.037 0.000 2.371 299 G HA2 0.526 4.485 3.960 -0.002 0.000 0.663 299 G HA3 0.526 4.485 3.960 -0.002 0.000 0.663 299 G C -0.511 173.901 174.900 -0.814 0.000 1.311 299 G CA 0.039 45.029 45.100 -0.183 0.000 0.985 299 G HN 2.104 nan 8.290 nan 0.000 0.566 300 G N -1.640 106.268 108.800 -1.487 0.000 2.368 300 G HA2 0.794 4.753 3.960 -0.002 0.000 0.293 300 G HA3 0.794 4.753 3.960 -0.002 0.000 0.293 300 G C -1.040 172.804 174.900 -1.760 0.000 1.467 300 G CA 0.942 44.444 45.100 -2.662 0.000 0.804 300 G HN 1.900 nan 8.290 nan 0.000 0.535 301 S N -1.155 113.817 115.700 -1.213 0.000 2.549 301 S HA 0.562 5.030 4.470 -0.002 0.000 0.280 301 S C 0.924 175.501 174.600 -0.039 0.000 1.109 301 S CA -0.746 57.248 58.200 -0.343 0.000 0.905 301 S CB 1.535 64.707 63.200 -0.047 0.000 1.081 301 S HN 0.569 nan 8.310 nan 0.000 0.477 302 L N 2.165 123.408 121.223 0.033 0.000 2.478 302 L HA 0.177 4.516 4.340 -0.002 0.000 0.223 302 L C 0.876 177.757 176.870 0.017 0.000 1.140 302 L CA 0.294 55.171 54.840 0.061 0.000 0.842 302 L CB -0.239 41.835 42.059 0.025 0.000 0.953 302 L HN 0.515 nan 8.230 nan 0.000 0.452 303 N N 1.364 120.062 118.700 -0.002 0.000 2.415 303 N HA 0.086 4.824 4.740 -0.002 0.000 0.246 303 N C -1.532 173.954 175.510 -0.040 0.000 1.078 303 N CA -2.004 51.042 53.050 -0.007 0.000 0.942 303 N CB 1.263 39.751 38.487 0.002 0.000 1.140 303 N HN -0.081 nan 8.380 nan 0.000 0.501 304 P HA -0.074 nan 4.420 nan 0.000 0.221 304 P C -0.534 176.414 177.300 -0.587 0.000 1.150 304 P CA 1.283 64.195 63.100 -0.313 0.000 0.800 304 P CB 0.298 31.786 31.700 -0.352 0.000 0.787 305 H N -0.724 118.343 119.070 -0.004 0.000 2.429 305 H HA 0.377 4.931 4.556 -0.002 0.000 0.231 305 H C -2.491 172.788 175.328 -0.082 0.000 1.416 305 H CA -2.202 53.805 56.048 -0.067 0.000 1.443 305 H CB 0.416 30.097 29.762 -0.135 0.000 1.591 305 H HN 0.166 nan 8.280 nan 0.000 0.507 306 P HA 0.363 nan 4.420 nan 0.000 0.276 306 P C -0.457 176.833 177.300 -0.016 0.000 1.243 306 P CA -0.012 63.085 63.100 -0.006 0.000 0.768 306 P CB 1.256 32.926 31.700 -0.049 0.000 0.856 307 A N 2.389 125.254 122.820 0.075 0.000 2.602 307 A HA 0.867 5.186 4.320 -0.002 0.000 0.290 307 A C -1.553 176.258 177.584 0.379 0.000 1.114 307 A CA -0.478 51.642 52.037 0.138 0.000 0.683 307 A CB 1.471 20.383 19.000 -0.148 0.000 1.281 307 A HN 0.503 nan 8.150 nan 0.000 0.416 308 A N -0.082 123.043 122.820 0.510 0.000 2.430 308 A HA 0.849 5.168 4.320 -0.002 0.000 0.300 308 A C -0.982 176.967 177.584 0.609 0.000 1.124 308 A CA -0.529 51.837 52.037 0.548 0.000 0.766 308 A CB 0.851 20.179 19.000 0.548 0.000 1.328 308 A HN 0.823 nan 8.150 nan 0.000 0.424 309 I N 0.419 121.238 120.570 0.414 0.000 2.377 309 I HA 0.376 4.544 4.170 -0.002 0.000 0.293 309 I C -1.390 174.902 176.117 0.292 0.000 0.987 309 I CA -0.165 61.287 61.300 0.254 0.000 1.185 309 I CB 1.398 39.399 38.000 0.002 0.000 1.341 309 I HN 0.471 nan 8.210 nan 0.000 0.455 310 F N 4.633 124.620 119.950 0.062 0.000 2.359 310 F HA 0.281 4.807 4.527 -0.002 0.000 0.369 310 F C 0.225 176.100 175.800 0.124 0.000 1.084 310 F CA -0.666 57.348 58.000 0.023 0.000 1.096 310 F CB 0.361 39.337 39.000 -0.038 0.000 1.335 310 F HN 0.419 nan 8.300 nan 0.000 0.457 311 H N 2.787 121.886 119.070 0.048 0.000 2.527 311 H HA 0.338 4.893 4.556 -0.002 0.000 0.321 311 H C -1.268 174.135 175.328 0.124 0.000 1.087 311 H CA -0.284 55.812 56.048 0.080 0.000 1.337 311 H CB 0.568 30.318 29.762 -0.021 0.000 1.440 311 H HN 0.398 nan 8.280 nan 0.000 0.490 312 Y N 3.103 123.104 120.300 -0.498 0.000 2.316 312 Y HA 0.362 4.910 4.550 -0.002 0.000 0.331 312 Y C 0.480 176.038 175.900 -0.570 0.000 1.083 312 Y CA -0.276 57.616 58.100 -0.347 0.000 1.206 312 Y CB 0.957 39.334 38.460 -0.138 0.000 1.195 312 Y HN 0.846 nan 8.280 nan 0.000 0.497 313 A N 2.518 125.253 122.820 -0.141 0.000 2.492 313 A HA 0.440 4.759 4.320 -0.002 0.000 0.254 313 A C 1.315 178.901 177.584 0.002 0.000 1.091 313 A CA 0.848 52.859 52.037 -0.042 0.000 0.768 313 A CB -0.839 18.169 19.000 0.013 0.000 1.028 313 A HN 1.402 nan 8.150 nan 0.000 0.498 314 G N 1.186 110.012 108.800 0.043 0.000 2.313 314 G HA2 0.146 4.105 3.960 -0.002 0.000 0.215 314 G HA3 0.146 4.105 3.960 -0.002 0.000 0.215 314 G C 0.764 175.689 174.900 0.041 0.000 1.023 314 G CA 0.336 45.464 45.100 0.047 0.000 0.626 314 G HN 2.151 nan 8.290 nan 0.000 0.503 315 A N 2.201 125.014 122.820 -0.012 0.000 2.386 315 A HA 0.648 4.967 4.320 -0.002 0.000 0.246 315 A C -0.920 176.742 177.584 0.130 0.000 1.089 315 A CA 0.088 52.119 52.037 -0.010 0.000 0.790 315 A CB -0.048 18.883 19.000 -0.115 0.000 1.042 315 A HN 0.425 nan 8.150 nan 0.000 0.497 316 P HA 0.292 nan 4.420 nan 0.000 0.274 316 P C 0.467 177.844 177.300 0.128 0.000 1.246 316 P CA 0.117 63.270 63.100 0.089 0.000 0.795 316 P CB 0.558 32.266 31.700 0.013 0.000 1.006 317 G N -0.942 107.868 108.800 0.017 0.000 2.489 317 G HA2 0.511 4.470 3.960 -0.002 0.000 0.271 317 G HA3 0.511 4.470 3.960 -0.002 0.000 0.271 317 G C 0.271 175.126 174.900 -0.076 0.000 1.427 317 G CA 0.000 45.052 45.100 -0.080 0.000 1.057 317 G HN 0.869 nan 8.290 nan 0.000 0.532 318 G N -2.143 106.600 108.800 -0.096 0.000 2.627 318 G HA2 -0.042 3.917 3.960 -0.002 0.000 0.214 318 G HA3 -0.042 3.917 3.960 -0.002 0.000 0.214 318 G C -0.363 174.445 174.900 -0.152 0.000 1.331 318 G CA -0.260 44.786 45.100 -0.090 0.000 0.891 318 G HN 0.896 nan 8.290 nan 0.000 0.539 319 L N 0.926 122.044 121.223 -0.174 0.000 2.343 319 L HA 0.497 4.836 4.340 -0.002 0.000 0.275 319 L C -1.812 174.761 176.870 -0.495 0.000 1.056 319 L CA -1.875 52.751 54.840 -0.357 0.000 0.804 319 L CB 1.344 43.306 42.059 -0.162 0.000 1.203 319 L HN 0.352 nan 8.230 nan 0.000 0.440 320 P HA 0.021 nan 4.420 nan 0.000 0.267 320 P C 0.529 177.534 177.300 -0.492 0.000 1.200 320 P CA -0.102 62.477 63.100 -0.868 0.000 0.772 320 P CB 0.687 31.468 31.700 -1.531 0.000 0.855 321 T N -2.768 111.605 114.554 -0.301 0.000 3.044 321 T HA 0.037 4.385 4.350 -0.002 0.000 0.255 321 T C 0.538 175.228 174.700 -0.015 0.000 1.073 321 T CA 0.330 62.361 62.100 -0.116 0.000 1.125 321 T CB -0.252 68.548 68.868 -0.113 0.000 0.908 321 T HN 0.236 nan 8.240 nan 0.000 0.480 322 D N 1.427 121.810 120.400 -0.028 0.000 2.280 322 D HA 0.242 4.880 4.640 -0.002 0.000 0.243 322 D C 0.729 177.169 176.300 0.234 0.000 1.129 322 D CA -0.307 53.737 54.000 0.075 0.000 0.848 322 D CB 1.507 42.342 40.800 0.057 0.000 1.107 322 D HN 0.330 nan 8.370 nan 0.000 0.471 323 E N 1.873 122.182 120.200 0.183 0.000 2.299 323 E HA 0.194 4.543 4.350 -0.002 0.000 0.193 323 E C 1.138 177.792 176.600 0.089 0.000 0.998 323 E CA 0.335 56.820 56.400 0.143 0.000 0.851 323 E CB 0.094 29.800 29.700 0.010 0.000 0.795 323 E HN 0.733 nan 8.360 nan 0.000 0.492 324 G N 1.393 110.247 108.800 0.090 0.000 2.855 324 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.352 324 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.352 324 G C 0.055 174.971 174.900 0.027 0.000 1.415 324 G CA -0.248 44.891 45.100 0.065 0.000 0.871 324 G HN 0.217 nan 8.290 nan 0.000 0.543 325 T N -0.361 114.206 114.554 0.022 0.000 2.875 325 T HA 0.669 5.017 4.350 -0.002 0.000 0.284 325 T C -2.034 172.671 174.700 0.008 0.000 0.995 325 T CA -1.028 61.080 62.100 0.013 0.000 1.060 325 T CB 1.633 70.508 68.868 0.012 0.000 0.967 325 T HN 0.582 nan 8.240 nan 0.000 0.476 326 P HA 0.326 nan 4.420 nan 0.000 0.268 326 P C -2.267 175.043 177.300 0.017 0.000 1.205 326 P CA -0.804 62.306 63.100 0.018 0.000 0.771 326 P CB -0.381 31.339 31.700 0.033 0.000 0.858 327 P HA 0.100 nan 4.420 nan 0.000 0.276 327 P C -0.786 176.545 177.300 0.052 0.000 1.261 327 P CA -0.615 62.504 63.100 0.032 0.000 0.800 327 P CB 0.235 31.956 31.700 0.036 0.000 1.066 328 V N -1.902 118.037 119.914 0.041 0.000 2.843 328 V HA 0.159 4.278 4.120 -0.002 0.000 0.305 328 V C 0.326 176.450 176.094 0.050 0.000 1.065 328 V CA -0.424 61.872 62.300 -0.006 0.000 1.116 328 V CB 0.313 32.073 31.823 -0.106 0.000 0.968 328 V HN 0.408 nan 8.190 nan 0.000 0.487 329 D N 2.154 122.569 120.400 0.024 0.000 2.339 329 D HA 0.100 4.739 4.640 -0.002 0.000 0.256 329 D C 0.977 177.282 176.300 0.008 0.000 1.214 329 D CA 0.156 54.197 54.000 0.069 0.000 0.877 329 D CB 0.347 41.172 40.800 0.042 0.000 1.111 329 D HN 0.789 nan 8.370 nan 0.000 0.478 330 H N 3.164 122.221 119.070 -0.021 0.000 2.551 330 H HA -0.005 4.549 4.556 -0.002 0.000 0.266 330 H C 0.414 175.610 175.328 -0.220 0.000 0.977 330 H CA 0.200 56.188 56.048 -0.100 0.000 1.163 330 H CB 0.559 30.284 29.762 -0.061 0.000 1.381 330 H HN 0.510 nan 8.280 nan 0.000 0.581 331 Q N -0.887 118.881 119.800 -0.053 0.000 2.453 331 Q HA -0.188 4.151 4.340 -0.002 0.000 0.294 331 Q C 0.488 176.364 176.000 -0.207 0.000 1.295 331 Q CA 0.828 56.574 55.803 -0.095 0.000 0.853 331 Q CB -2.631 26.066 28.738 -0.069 0.000 1.193 331 Q HN 0.708 nan 8.270 nan 0.000 0.461 332 c N -1.552 116.833 118.600 -0.360 0.000 4.365 332 c HA -0.221 4.348 4.570 -0.002 0.000 0.299 332 c C 0.538 174.196 174.090 -0.720 0.000 1.409 332 c CA 0.926 56.938 56.329 -0.528 0.000 2.007 332 c CB -2.215 40.192 42.510 -0.171 0.000 1.264 332 c HN 0.497 nan 8.230 nan 0.000 0.777 333 L N 1.115 121.733 121.223 -1.007 0.000 2.436 333 L HA 0.531 4.869 4.340 -0.002 0.000 0.268 333 L C -0.005 176.636 176.870 -0.382 0.000 0.974 333 L CA -0.497 54.041 54.840 -0.504 0.000 0.826 333 L CB 1.451 43.371 42.059 -0.232 0.000 1.291 333 L HN 0.216 nan 8.230 nan 0.000 0.406 334 D N -0.049 120.395 120.400 0.073 0.000 2.329 334 D HA 0.104 4.743 4.640 -0.002 0.000 0.246 334 D C 0.110 176.541 176.300 0.218 0.000 1.111 334 D CA -0.403 53.810 54.000 0.356 0.000 0.941 334 D CB 1.425 42.489 40.800 0.440 0.000 1.169 334 D HN 0.335 nan 8.370 nan 0.000 0.441 335 T N 0.230 114.939 114.554 0.260 0.000 2.884 335 T HA 0.221 4.569 4.350 -0.002 0.000 0.298 335 T C 0.928 175.722 174.700 0.158 0.000 0.998 335 T CA -0.580 61.622 62.100 0.169 0.000 1.124 335 T CB 0.001 68.955 68.868 0.144 0.000 0.931 335 T HN 0.357 nan 8.240 nan 0.000 0.531 336 L N 3.664 124.948 121.223 0.101 0.000 2.741 336 L HA 0.278 4.617 4.340 -0.002 0.000 0.237 336 L C 1.042 177.959 176.870 0.077 0.000 1.178 336 L CA -0.104 54.791 54.840 0.092 0.000 0.973 336 L CB 0.060 42.155 42.059 0.061 0.000 1.255 336 L HN 0.588 nan 8.230 nan 0.000 0.498 337 D N 0.315 120.761 120.400 0.077 0.000 2.348 337 D HA -0.002 4.637 4.640 -0.002 0.000 0.211 337 D C 0.967 177.310 176.300 0.071 0.000 0.998 337 D CA 0.469 54.505 54.000 0.060 0.000 0.873 337 D CB 0.386 41.212 40.800 0.043 0.000 0.925 337 D HN 0.163 nan 8.370 nan 0.000 0.524 338 V N 0.222 120.196 119.914 0.100 0.000 2.521 338 V HA 0.311 4.430 4.120 -0.002 0.000 0.286 338 V C 0.235 176.383 176.094 0.090 0.000 1.034 338 V CA -0.480 61.885 62.300 0.108 0.000 1.045 338 V CB 0.759 32.680 31.823 0.163 0.000 0.974 338 V HN -0.124 nan 8.190 nan 0.000 0.480 339 R N 4.764 125.309 120.500 0.076 0.000 2.337 339 R HA 0.471 4.810 4.340 -0.002 0.000 0.319 339 R C -2.837 173.506 176.300 0.071 0.000 0.954 339 R CA -2.229 53.911 56.100 0.067 0.000 0.840 339 R CB 1.548 31.881 30.300 0.055 0.000 1.164 339 R HN 0.520 nan 8.270 nan 0.000 0.472 340 P HA -0.062 nan 4.420 nan 0.000 0.265 340 P C 1.101 178.453 177.300 0.087 0.000 1.187 340 P CA -0.004 63.147 63.100 0.084 0.000 0.766 340 P CB 0.798 32.554 31.700 0.095 0.000 0.820 341 V N 2.981 122.955 119.914 0.100 0.000 2.307 341 V HA -0.132 3.987 4.120 -0.002 0.000 0.245 341 V C 1.101 177.261 176.094 0.110 0.000 1.045 341 V CA 1.566 63.929 62.300 0.105 0.000 1.024 341 V CB -0.335 31.561 31.823 0.122 0.000 0.651 341 V HN 0.314 nan 8.190 nan 0.000 0.449 342 V N 3.783 123.776 119.914 0.132 0.000 2.389 342 V HA 0.249 4.368 4.120 -0.002 0.000 0.264 342 V C -1.794 174.342 176.094 0.071 0.000 1.049 342 V CA -1.422 60.936 62.300 0.096 0.000 0.932 342 V CB 0.751 32.611 31.823 0.062 0.000 1.011 342 V HN 0.383 nan 8.190 nan 0.000 0.475 343 P HA 0.474 nan 4.420 nan 0.000 0.278 343 P C -0.825 176.508 177.300 0.055 0.000 1.258 343 P CA -0.675 62.456 63.100 0.053 0.000 0.811 343 P CB 1.415 33.142 31.700 0.045 0.000 1.063 344 R N 0.175 120.700 120.500 0.041 0.000 2.698 344 R HA 0.627 4.966 4.340 -0.002 0.000 0.275 344 R C -0.876 175.391 176.300 -0.055 0.000 1.001 344 R CA -0.717 55.404 56.100 0.035 0.000 0.896 344 R CB 2.042 32.377 30.300 0.057 0.000 1.218 344 R HN 0.465 nan 8.270 nan 0.000 0.462 345 S N 0.703 116.345 115.700 -0.096 0.000 2.614 345 S HA 0.583 5.052 4.470 -0.002 0.000 0.288 345 S C -0.709 173.734 174.600 -0.263 0.000 1.137 345 S CA -0.771 57.347 58.200 -0.137 0.000 0.992 345 S CB 2.018 65.188 63.200 -0.050 0.000 1.026 345 S HN 0.408 nan 8.310 nan 0.000 0.486 346 V N 0.840 120.568 119.914 -0.309 0.000 2.876 346 V HA 0.818 4.937 4.120 -0.002 0.000 0.312 346 V C -2.851 173.174 176.094 -0.114 0.000 1.085 346 V CA -2.567 59.526 62.300 -0.345 0.000 0.945 346 V CB 1.642 33.095 31.823 -0.616 0.000 1.017 346 V HN 0.655 nan 8.190 nan 0.000 0.428 347 P HA 0.341 nan 4.420 nan 0.000 0.280 347 P C 0.349 177.652 177.300 0.004 0.000 1.244 347 P CA -0.054 63.045 63.100 -0.001 0.000 0.784 347 P CB 1.830 33.534 31.700 0.006 0.000 0.913 348 V N -0.379 119.528 119.914 -0.011 0.000 3.604 348 V HA 0.056 4.174 4.120 -0.002 0.000 0.277 348 V C 1.719 177.817 176.094 0.007 0.000 1.399 348 V CA 0.416 62.713 62.300 -0.004 0.000 1.034 348 V CB -0.748 31.096 31.823 0.034 0.000 0.824 348 V HN 0.462 nan 8.190 nan 0.000 0.439 349 N N 2.860 121.555 118.700 -0.009 0.000 2.331 349 N HA -0.142 4.596 4.740 -0.002 0.000 0.180 349 N C 1.661 177.153 175.510 -0.029 0.000 1.019 349 N CA 1.693 54.741 53.050 -0.004 0.000 0.881 349 N CB -0.300 38.181 38.487 -0.010 0.000 0.972 349 N HN 0.667 nan 8.380 nan 0.000 0.435 350 S N -0.402 115.253 115.700 -0.074 0.000 2.527 350 S HA 0.031 4.500 4.470 -0.002 0.000 0.222 350 S C 0.529 175.022 174.600 -0.178 0.000 0.985 350 S CA -0.608 57.520 58.200 -0.120 0.000 0.921 350 S CB -0.775 62.347 63.200 -0.131 0.000 0.772 350 S HN 0.279 nan 8.310 nan 0.000 0.529 351 F N 3.343 123.097 119.950 -0.326 0.000 2.571 351 F HA 0.398 4.924 4.527 -0.002 0.000 0.384 351 F C -0.396 175.292 175.800 -0.187 0.000 1.058 351 F CA -0.528 57.255 58.000 -0.361 0.000 1.200 351 F CB 0.429 39.201 39.000 -0.379 0.000 1.077 351 F HN -0.096 nan 8.300 nan 0.000 0.558 352 V N 7.014 126.251 119.914 -1.129 0.000 2.588 352 V HA 0.240 4.358 4.120 -0.002 0.000 0.304 352 V C -0.267 175.119 176.094 -1.181 0.000 1.042 352 V CA -1.405 60.385 62.300 -0.850 0.000 0.877 352 V CB 1.767 33.330 31.823 -0.434 0.000 0.996 352 V HN 0.640 nan 8.190 nan 0.000 0.425 353 K N 5.139 125.055 120.400 -0.807 0.000 2.349 353 K HA 0.451 4.770 4.320 -0.002 0.000 0.289 353 K C -0.314 176.121 176.600 -0.276 0.000 1.064 353 K CA -0.140 55.845 56.287 -0.504 0.000 0.947 353 K CB 0.423 32.807 32.500 -0.194 0.000 1.007 353 K HN 0.658 nan 8.250 nan 0.000 0.478 354 R N 3.737 124.114 120.500 -0.205 0.000 2.837 354 R HA 0.239 4.578 4.340 -0.002 0.000 0.271 354 R C -2.086 174.197 176.300 -0.030 0.000 0.993 354 R CA -2.130 53.903 56.100 -0.111 0.000 0.931 354 R CB 1.450 31.675 30.300 -0.126 0.000 1.206 354 R HN 0.354 nan 8.270 nan 0.000 0.474 355 P HA -0.158 nan 4.420 nan 0.000 0.218 355 P C 0.288 177.639 177.300 0.085 0.000 1.149 355 P CA 1.262 64.388 63.100 0.043 0.000 0.817 355 P CB 0.172 31.892 31.700 0.034 0.000 0.785 356 D N -1.204 119.238 120.400 0.069 0.000 2.363 356 D HA -0.092 4.547 4.640 -0.002 0.000 0.226 356 D C 0.804 177.199 176.300 0.160 0.000 1.020 356 D CA 0.616 54.689 54.000 0.122 0.000 0.892 356 D CB -1.076 39.773 40.800 0.082 0.000 0.900 356 D HN 0.247 nan 8.370 nan 0.000 0.531 357 N N -1.102 117.653 118.700 0.092 0.000 2.159 357 N HA 0.038 4.777 4.740 -0.002 0.000 0.217 357 N C -0.704 174.959 175.510 0.256 0.000 1.223 357 N CA -0.290 52.773 53.050 0.022 0.000 0.896 357 N CB 0.245 38.655 38.487 -0.128 0.000 1.064 357 N HN -0.147 nan 8.380 nan 0.000 0.518 358 T N 1.335 116.037 114.554 0.247 0.000 2.771 358 T HA 0.473 4.822 4.350 -0.002 0.000 0.281 358 T C -0.468 174.383 174.700 0.252 0.000 0.982 358 T CA -0.475 61.764 62.100 0.232 0.000 0.978 358 T CB 1.488 70.438 68.868 0.135 0.000 0.930 358 T HN 0.065 nan 8.240 nan 0.000 0.447 359 L N 6.198 127.579 121.223 0.264 0.000 2.356 359 L HA 0.356 4.694 4.340 -0.002 0.000 0.264 359 L C -2.224 174.753 176.870 0.178 0.000 1.029 359 L CA -2.048 52.923 54.840 0.217 0.000 0.897 359 L CB 1.425 43.637 42.059 0.256 0.000 1.256 359 L HN 0.334 nan 8.230 nan 0.000 0.444 360 P HA 0.160 nan 4.420 nan 0.000 0.292 360 P C -0.372 176.993 177.300 0.107 0.000 1.326 360 P CA -0.222 62.954 63.100 0.127 0.000 0.787 360 P CB 1.893 33.655 31.700 0.104 0.000 0.903 361 V N 3.932 123.919 119.914 0.123 0.000 2.498 361 V HA 0.611 4.730 4.120 -0.002 0.000 0.279 361 V C 0.614 176.798 176.094 0.149 0.000 1.048 361 V CA 0.027 62.396 62.300 0.116 0.000 0.967 361 V CB 0.856 32.725 31.823 0.076 0.000 0.988 361 V HN 0.810 nan 8.190 nan 0.000 0.473 362 A N 4.763 127.672 122.820 0.148 0.000 2.572 362 A HA 0.795 5.114 4.320 -0.002 0.000 0.295 362 A C -1.488 176.067 177.584 -0.048 0.000 1.072 362 A CA -0.626 51.451 52.037 0.066 0.000 0.691 362 A CB 1.599 20.600 19.000 0.001 0.000 1.291 362 A HN 0.747 nan 8.150 nan 0.000 0.404 363 L N 1.649 122.693 121.223 -0.298 0.000 2.264 363 L HA 0.536 4.875 4.340 -0.002 0.000 0.287 363 L C -0.704 175.889 176.870 -0.461 0.000 1.039 363 L CA -0.082 54.346 54.840 -0.686 0.000 0.829 363 L CB 0.812 42.239 42.059 -1.053 0.000 1.211 363 L HN 0.657 nan 8.230 nan 0.000 0.427 364 D N 4.296 124.467 120.400 -0.382 0.000 2.313 364 D HA 0.241 4.879 4.640 -0.002 0.000 0.239 364 D C 0.362 176.470 176.300 -0.322 0.000 1.142 364 D CA 0.005 53.840 54.000 -0.275 0.000 0.847 364 D CB 0.881 41.572 40.800 -0.181 0.000 1.082 364 D HN 0.606 nan 8.370 nan 0.000 0.480 365 L N 2.838 123.878 121.223 -0.304 0.000 2.728 365 L HA 0.132 4.471 4.340 -0.002 0.000 0.238 365 L C 1.823 178.562 176.870 -0.218 0.000 1.143 365 L CA 0.069 54.718 54.840 -0.319 0.000 0.937 365 L CB 0.134 41.994 42.059 -0.332 0.000 1.225 365 L HN 0.453 nan 8.230 nan 0.000 0.507 366 T N -3.154 111.298 114.554 -0.170 0.000 3.169 366 T HA 0.294 4.643 4.350 -0.002 0.000 0.250 366 T C 0.793 175.430 174.700 -0.105 0.000 1.111 366 T CA 0.269 62.295 62.100 -0.123 0.000 1.010 366 T CB 0.144 68.953 68.868 -0.098 0.000 0.984 366 T HN 0.261 nan 8.240 nan 0.000 0.537 367 G N 0.702 109.430 108.800 -0.119 0.000 3.243 367 G HA2 0.614 4.573 3.960 -0.002 0.000 0.248 367 G HA3 0.614 4.573 3.960 -0.002 0.000 0.248 367 G C -1.205 173.639 174.900 -0.093 0.000 1.267 367 G CA -0.655 44.389 45.100 -0.092 0.000 0.906 367 G HN 0.365 nan 8.290 nan 0.000 0.592 368 T N 1.396 115.908 114.554 -0.069 0.000 2.847 368 T HA 0.663 5.012 4.350 -0.002 0.000 0.291 368 T C -2.131 172.544 174.700 -0.042 0.000 0.998 368 T CA -0.960 61.106 62.100 -0.057 0.000 0.967 368 T CB 1.708 70.553 68.868 -0.037 0.000 0.954 368 T HN 0.583 nan 8.240 nan 0.000 0.441 369 P HA 0.306 nan 4.420 nan 0.000 0.277 369 P C 0.799 178.033 177.300 -0.110 0.000 1.276 369 P CA -0.770 62.294 63.100 -0.059 0.000 0.788 369 P CB 1.009 32.691 31.700 -0.031 0.000 1.114 370 L N -0.494 120.639 121.223 -0.149 0.000 2.044 370 L HA 0.074 4.412 4.340 -0.002 0.000 0.205 370 L C 1.031 177.593 176.870 -0.514 0.000 1.075 370 L CA 1.362 55.999 54.840 -0.338 0.000 0.747 370 L CB -0.802 41.009 42.059 -0.413 0.000 0.903 370 L HN 0.210 nan 8.230 nan 0.000 0.435 371 F N 0.218 120.082 119.950 -0.143 0.000 2.406 371 F HA 0.347 4.873 4.527 -0.001 0.000 0.358 371 F C -0.222 175.470 175.800 -0.181 0.000 1.161 371 F CA -0.407 57.477 58.000 -0.193 0.000 1.185 371 F CB 0.196 39.163 39.000 -0.055 0.000 1.421 371 F HN -0.366 nan 8.300 nan 0.000 0.576 372 V N 2.548 122.331 119.914 -0.219 0.000 2.407 372 V HA 0.257 4.376 4.120 -0.002 0.000 0.291 372 V C -0.839 175.108 176.094 -0.244 0.000 1.018 372 V CA -1.164 61.060 62.300 -0.126 0.000 0.842 372 V CB 1.006 32.763 31.823 -0.110 0.000 0.996 372 V HN 0.526 nan 8.190 nan 0.000 0.426 373 W N 4.557 125.853 121.300 -0.007 0.000 2.335 373 W HA 0.596 5.255 4.660 -0.002 0.000 0.307 373 W C 0.342 176.821 176.519 -0.066 0.000 1.117 373 W CA -0.495 56.817 57.345 -0.056 0.000 1.228 373 W CB 1.140 30.549 29.460 -0.084 0.000 1.240 373 W HN 0.317 nan 8.180 nan 0.000 0.468 374 K N 2.245 122.727 120.400 0.138 0.000 2.259 374 K HA 0.696 5.015 4.320 -0.002 0.000 0.249 374 K C -1.150 175.488 176.600 0.063 0.000 0.942 374 K CA -1.117 55.207 56.287 0.062 0.000 0.816 374 K CB 2.426 34.930 32.500 0.007 0.000 1.155 374 K HN 0.124 nan 8.250 nan 0.000 0.428 375 V N 2.825 122.755 119.914 0.028 0.000 2.409 375 V HA 0.162 4.280 4.120 -0.002 0.000 0.290 375 V C 0.072 176.175 176.094 0.016 0.000 1.017 375 V CA -0.784 61.529 62.300 0.022 0.000 0.841 375 V CB 0.884 32.702 31.823 -0.008 0.000 1.003 375 V HN 0.955 nan 8.190 nan 0.000 0.426 376 N N 3.491 122.212 118.700 0.036 0.000 2.776 376 N HA -0.182 4.557 4.740 -0.002 0.000 0.250 376 N C 0.960 176.482 175.510 0.019 0.000 1.112 376 N CA 1.945 55.017 53.050 0.036 0.000 0.733 376 N CB -1.065 37.446 38.487 0.040 0.000 1.097 376 N HN 1.720 nan 8.380 nan 0.000 0.558 377 G N -2.416 106.391 108.800 0.012 0.000 2.157 377 G HA2 -0.116 3.843 3.960 -0.002 0.000 0.239 377 G HA3 -0.116 3.843 3.960 -0.002 0.000 0.239 377 G C -0.133 174.761 174.900 -0.010 0.000 0.982 377 G CA 0.645 45.745 45.100 -0.001 0.000 0.650 377 G HN 1.339 nan 8.290 nan 0.000 0.527 378 S N 0.837 116.531 115.700 -0.010 0.000 2.614 378 S HA 0.515 4.984 4.470 -0.002 0.000 0.275 378 S C -0.936 173.654 174.600 -0.017 0.000 1.161 378 S CA 0.010 58.198 58.200 -0.019 0.000 0.969 378 S CB 1.161 64.345 63.200 -0.026 0.000 1.059 378 S HN 0.548 nan 8.310 nan 0.000 0.482 379 D N 4.186 124.577 120.400 -0.015 0.000 2.312 379 D HA 0.191 4.830 4.640 -0.002 0.000 0.252 379 D C 0.499 176.779 176.300 -0.032 0.000 1.150 379 D CA -0.424 53.574 54.000 -0.004 0.000 0.870 379 D CB 0.835 41.641 40.800 0.011 0.000 1.153 379 D HN 0.579 nan 8.370 nan 0.000 0.457 380 I N 1.776 122.319 120.570 -0.045 0.000 2.754 380 I HA 0.007 4.176 4.170 -0.002 0.000 0.285 380 I C -0.016 176.046 176.117 -0.091 0.000 1.166 380 I CA 0.263 61.514 61.300 -0.082 0.000 1.417 380 I CB 0.326 38.261 38.000 -0.109 0.000 1.382 380 I HN 0.408 nan 8.210 nan 0.000 0.588 381 N N 6.671 125.300 118.700 -0.118 0.000 2.812 381 N HA 0.161 4.899 4.740 -0.002 0.000 0.262 381 N C -1.160 174.245 175.510 -0.176 0.000 1.241 381 N CA -0.426 52.532 53.050 -0.154 0.000 0.854 381 N CB 1.379 39.790 38.487 -0.127 0.000 1.506 381 N HN 0.376 nan 8.380 nan 0.000 0.576 382 V N 0.185 119.964 119.914 -0.224 0.000 2.904 382 V HA 0.555 4.674 4.120 -0.002 0.000 0.305 382 V C 0.265 176.200 176.094 -0.266 0.000 1.067 382 V CA -0.419 61.763 62.300 -0.198 0.000 1.044 382 V CB 1.585 33.313 31.823 -0.158 0.000 1.050 382 V HN 0.483 nan 8.190 nan 0.000 0.475 383 D N 2.453 122.779 120.400 -0.123 0.000 2.427 383 D HA 0.246 4.884 4.640 -0.002 0.000 0.226 383 D C 0.424 176.745 176.300 0.035 0.000 1.076 383 D CA -0.486 53.459 54.000 -0.092 0.000 0.849 383 D CB 0.920 41.735 40.800 0.025 0.000 1.052 383 D HN 0.695 nan 8.370 nan 0.000 0.515 384 W N 2.683 123.937 121.300 -0.077 0.000 2.350 384 W HA -0.016 4.643 4.660 -0.002 0.000 0.289 384 W C 1.941 178.486 176.519 0.042 0.000 1.215 384 W CA 1.019 58.306 57.345 -0.097 0.000 1.236 384 W CB -0.776 28.615 29.460 -0.116 0.000 1.130 384 W HN 0.576 nan 8.180 nan 0.000 0.541 385 G N -0.625 108.388 108.800 0.355 0.000 2.880 385 G HA2 -0.056 3.903 3.960 -0.002 0.000 0.209 385 G HA3 -0.056 3.903 3.960 -0.002 0.000 0.209 385 G C 0.670 175.667 174.900 0.161 0.000 1.157 385 G CA 0.038 45.327 45.100 0.314 0.000 0.779 385 G HN 0.127 nan 8.290 nan 0.000 0.539 386 K N 1.027 121.509 120.400 0.137 0.000 2.950 386 K HA 0.265 4.584 4.320 -0.002 0.000 0.199 386 K C -2.808 173.915 176.600 0.205 0.000 1.144 386 K CA -1.482 54.867 56.287 0.103 0.000 0.983 386 K CB 2.031 34.551 32.500 0.033 0.000 1.187 386 K HN -0.028 nan 8.250 nan 0.000 0.595 387 P HA 0.017 nan 4.420 nan 0.000 0.272 387 P C 1.128 178.644 177.300 0.361 0.000 1.230 387 P CA -0.483 62.781 63.100 0.273 0.000 0.788 387 P CB 0.751 32.626 31.700 0.292 0.000 0.949 388 I N 1.063 121.783 120.570 0.250 0.000 2.300 388 I HA -0.223 3.946 4.170 -0.002 0.000 0.252 388 I C 2.094 178.330 176.117 0.199 0.000 1.119 388 I CA 1.492 62.921 61.300 0.214 0.000 1.384 388 I CB -1.208 36.748 38.000 -0.073 0.000 1.062 388 I HN 0.305 nan 8.210 nan 0.000 0.426 389 I N 0.670 121.276 120.570 0.060 0.000 2.614 389 I HA -0.230 3.939 4.170 -0.002 0.000 0.258 389 I C 2.196 178.224 176.117 -0.149 0.000 1.189 389 I CA 1.235 62.437 61.300 -0.163 0.000 1.462 389 I CB -1.185 36.538 38.000 -0.462 0.000 1.092 389 I HN 0.231 nan 8.210 nan 0.000 0.442 390 D N 0.302 120.789 120.400 0.145 0.000 2.149 390 D HA -0.198 4.441 4.640 -0.002 0.000 0.201 390 D C 2.174 178.492 176.300 0.031 0.000 0.972 390 D CA 1.335 55.430 54.000 0.158 0.000 0.835 390 D CB -0.047 40.866 40.800 0.189 0.000 0.966 390 D HN 0.281 nan 8.370 nan 0.000 0.476 391 Y N 0.126 120.492 120.300 0.110 0.000 2.224 391 Y HA -0.089 4.460 4.550 -0.002 0.000 0.289 391 Y C 2.304 178.255 175.900 0.085 0.000 1.146 391 Y CA 0.521 58.690 58.100 0.116 0.000 1.182 391 Y CB -0.077 38.531 38.460 0.247 0.000 0.983 391 Y HN 0.082 nan 8.280 nan 0.000 0.524 392 I N -0.376 120.321 120.570 0.212 0.000 2.286 392 I HA -0.236 3.932 4.170 -0.002 0.000 0.245 392 I C 1.953 178.089 176.117 0.031 0.000 1.104 392 I CA 1.488 62.849 61.300 0.101 0.000 1.397 392 I CB -1.015 36.998 38.000 0.022 0.000 1.072 392 I HN 0.287 nan 8.210 nan 0.000 0.417 393 L N 0.321 121.537 121.223 -0.012 0.000 2.478 393 L HA -0.098 4.240 4.340 -0.002 0.000 0.223 393 L C 2.159 179.034 176.870 0.008 0.000 1.140 393 L CA 1.246 56.072 54.840 -0.024 0.000 0.842 393 L CB -0.579 41.444 42.059 -0.061 0.000 0.953 393 L HN 0.354 nan 8.230 nan 0.000 0.452 394 T N -5.286 109.279 114.554 0.018 0.000 3.001 394 T HA 0.263 4.612 4.350 -0.002 0.000 0.251 394 T C 1.406 176.117 174.700 0.019 0.000 1.040 394 T CA 0.434 62.541 62.100 0.012 0.000 0.985 394 T CB 0.823 69.683 68.868 -0.013 0.000 1.011 394 T HN 0.308 nan 8.240 nan 0.000 0.509 395 G N 1.902 110.724 108.800 0.037 0.000 2.137 395 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.237 395 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.237 395 G C -0.152 174.763 174.900 0.026 0.000 1.002 395 G CA -0.090 45.030 45.100 0.034 0.000 0.702 395 G HN 0.700 nan 8.290 nan 0.000 0.515 396 N N 0.732 119.464 118.700 0.053 0.000 2.419 396 N HA 0.420 5.159 4.740 -0.002 0.000 0.264 396 N C 1.419 176.882 175.510 -0.078 0.000 1.031 396 N CA 0.628 53.705 53.050 0.045 0.000 0.951 396 N CB 1.078 39.647 38.487 0.137 0.000 1.101 396 N HN 0.371 nan 8.380 nan 0.000 0.488 397 T N -1.268 113.122 114.554 -0.273 0.000 3.092 397 T HA 0.161 4.510 4.350 -0.002 0.000 0.258 397 T C 0.214 174.387 174.700 -0.878 0.000 1.031 397 T CA -0.301 61.373 62.100 -0.709 0.000 0.925 397 T CB -0.159 68.514 68.868 -0.327 0.000 1.036 397 T HN 0.219 nan 8.240 nan 0.000 0.544 398 S N 2.656 118.074 115.700 -0.470 0.000 4.087 398 S HA 0.330 4.799 4.470 -0.002 0.000 0.213 398 S C -0.863 173.558 174.600 -0.299 0.000 1.415 398 S CA -0.742 57.292 58.200 -0.277 0.000 0.893 398 S CB -0.948 62.205 63.200 -0.079 0.000 1.529 398 S HN 0.473 nan 8.310 nan 0.000 0.457 399 Y N 2.909 123.076 120.300 -0.222 0.000 2.402 399 Y HA 0.314 4.863 4.550 -0.002 0.000 0.333 399 Y C -1.527 174.240 175.900 -0.222 0.000 1.076 399 Y CA -2.936 54.913 58.100 -0.418 0.000 1.299 399 Y CB -0.545 37.687 38.460 -0.380 0.000 1.197 399 Y HN 0.323 nan 8.280 nan 0.000 0.517 400 P HA 0.015 nan 4.420 nan 0.000 0.269 400 P C 0.828 178.117 177.300 -0.018 0.000 1.209 400 P CA -0.165 62.929 63.100 -0.010 0.000 0.776 400 P CB 1.393 33.098 31.700 0.008 0.000 0.876 401 V N 1.343 121.249 119.914 -0.013 0.000 2.380 401 V HA -0.240 3.879 4.120 -0.002 0.000 0.251 401 V C 2.684 178.754 176.094 -0.039 0.000 1.063 401 V CA 2.529 64.817 62.300 -0.019 0.000 1.055 401 V CB -1.389 30.426 31.823 -0.014 0.000 0.657 401 V HN 0.694 nan 8.190 nan 0.000 0.455 402 S N -0.793 114.881 115.700 -0.042 0.000 2.469 402 S HA -0.201 4.268 4.470 -0.002 0.000 0.238 402 S C 1.611 176.161 174.600 -0.083 0.000 0.998 402 S CA 1.188 59.353 58.200 -0.058 0.000 0.957 402 S CB -0.491 62.676 63.200 -0.055 0.000 0.764 402 S HN 0.633 nan 8.310 nan 0.000 0.514 403 D N 1.304 121.648 120.400 -0.094 0.000 2.347 403 D HA 0.049 4.688 4.640 -0.002 0.000 0.213 403 D C 0.110 176.316 176.300 -0.157 0.000 0.985 403 D CA 0.220 54.140 54.000 -0.133 0.000 0.879 403 D CB -0.214 40.490 40.800 -0.160 0.000 0.919 403 D HN 0.287 nan 8.370 nan 0.000 0.526 404 N N 0.917 119.540 118.700 -0.128 0.000 2.714 404 N HA -0.180 4.559 4.740 -0.002 0.000 0.253 404 N C -0.532 174.869 175.510 -0.181 0.000 1.024 404 N CA 0.350 53.319 53.050 -0.134 0.000 0.726 404 N CB -1.163 37.242 38.487 -0.136 0.000 0.908 404 N HN 0.301 nan 8.380 nan 0.000 0.542 405 I N 0.649 121.111 120.570 -0.180 0.000 2.517 405 I HA 0.054 4.223 4.170 -0.002 0.000 0.285 405 I C 0.710 176.748 176.117 -0.132 0.000 1.106 405 I CA -0.038 61.126 61.300 -0.226 0.000 1.402 405 I CB 0.700 38.482 38.000 -0.364 0.000 1.399 405 I HN -0.126 nan 8.210 nan 0.000 0.535 406 V N 7.404 127.243 119.914 -0.125 0.000 2.266 406 V HA 0.215 4.334 4.120 -0.002 0.000 0.271 406 V C 0.329 176.497 176.094 0.124 0.000 1.032 406 V CA -0.722 61.579 62.300 0.001 0.000 0.806 406 V CB 1.051 32.811 31.823 -0.104 0.000 1.052 406 V HN 0.697 nan 8.190 nan 0.000 0.449 407 Q N 3.352 123.219 119.800 0.111 0.000 2.296 407 Q HA 0.390 4.729 4.340 -0.002 0.000 0.263 407 Q C -0.926 175.193 176.000 0.198 0.000 1.026 407 Q CA -0.108 55.772 55.803 0.128 0.000 0.912 407 Q CB 1.213 30.013 28.738 0.104 0.000 1.198 407 Q HN 0.615 nan 8.270 nan 0.000 0.407 408 V N 5.164 125.206 119.914 0.214 0.000 2.313 408 V HA 0.115 4.234 4.120 -0.002 0.000 0.278 408 V C -0.143 176.032 176.094 0.136 0.000 1.017 408 V CA -0.548 61.877 62.300 0.210 0.000 0.823 408 V CB 1.353 33.323 31.823 0.245 0.000 1.010 408 V HN 0.833 nan 8.190 nan 0.000 0.443 409 D N 2.907 123.368 120.400 0.102 0.000 2.348 409 D HA 0.141 4.780 4.640 -0.002 0.000 0.211 409 D C 1.316 177.645 176.300 0.048 0.000 0.998 409 D CA 0.443 54.487 54.000 0.074 0.000 0.873 409 D CB 0.568 41.407 40.800 0.066 0.000 0.925 409 D HN 0.670 nan 8.370 nan 0.000 0.524 410 A N 0.926 123.764 122.820 0.030 0.000 2.546 410 A HA 0.194 4.512 4.320 -0.002 0.000 0.243 410 A C 0.350 177.928 177.584 -0.011 0.000 1.063 410 A CA -0.025 52.009 52.037 -0.005 0.000 0.757 410 A CB 0.310 19.284 19.000 -0.043 0.000 0.991 410 A HN -0.020 nan 8.150 nan 0.000 0.503 411 V N 3.554 123.461 119.914 -0.012 0.000 2.334 411 V HA 0.242 4.360 4.120 -0.002 0.000 0.267 411 V C 0.512 176.579 176.094 -0.045 0.000 1.040 411 V CA 0.393 62.686 62.300 -0.012 0.000 0.866 411 V CB 0.244 32.069 31.823 0.003 0.000 1.019 411 V HN 1.094 nan 8.190 nan 0.000 0.468 412 D N 2.985 123.344 120.400 -0.069 0.000 2.708 412 D HA -0.184 4.454 4.640 -0.002 0.000 0.236 412 D C 0.283 176.461 176.300 -0.204 0.000 1.146 412 D CA 1.191 55.112 54.000 -0.132 0.000 0.662 412 D CB -0.183 40.564 40.800 -0.089 0.000 1.059 412 D HN 0.703 nan 8.370 nan 0.000 0.428 413 Q N -0.787 118.884 119.800 -0.216 0.000 2.348 413 Q HA 0.372 4.711 4.340 -0.002 0.000 0.271 413 Q C -0.397 175.414 176.000 -0.314 0.000 1.067 413 Q CA -0.767 54.914 55.803 -0.203 0.000 0.839 413 Q CB 0.895 29.583 28.738 -0.083 0.000 1.354 413 Q HN 0.265 nan 8.270 nan 0.000 0.447 414 W N 2.067 123.243 121.300 -0.207 0.000 2.356 414 W HA 0.142 4.801 4.660 -0.002 0.000 0.311 414 W C 0.581 176.776 176.519 -0.541 0.000 1.328 414 W CA -0.045 57.071 57.345 -0.382 0.000 1.251 414 W CB 0.681 29.935 29.460 -0.344 0.000 1.280 414 W HN 0.373 nan 8.180 nan 0.000 0.524 415 T N 0.843 115.085 114.554 -0.520 0.000 2.859 415 T HA 0.515 4.863 4.350 -0.002 0.000 0.281 415 T C -1.040 173.087 174.700 -0.955 0.000 1.005 415 T CA -0.772 60.932 62.100 -0.661 0.000 1.025 415 T CB 1.044 69.510 68.868 -0.669 0.000 0.977 415 T HN 0.194 nan 8.240 nan 0.000 0.458 416 Y N 0.501 120.326 120.300 -0.792 0.000 2.352 416 Y HA 0.584 5.132 4.550 -0.002 0.000 0.339 416 Y C -0.770 174.452 175.900 -1.131 0.000 0.992 416 Y CA -1.067 56.596 58.100 -0.727 0.000 1.100 416 Y CB 1.582 39.832 38.460 -0.350 0.000 1.192 416 Y HN 0.708 nan 8.280 nan 0.000 0.458 417 W N 5.040 126.306 121.300 -0.055 0.000 2.715 417 W HA 0.546 5.205 4.660 -0.003 0.000 0.331 417 W C -1.493 174.987 176.519 -0.064 0.000 1.031 417 W CA -0.720 56.617 57.345 -0.014 0.000 1.237 417 W CB 1.416 30.868 29.460 -0.013 0.000 1.378 417 W HN 0.255 nan 8.180 nan 0.000 0.454 418 L N 5.283 126.605 121.223 0.164 0.000 2.262 418 L HA 0.617 4.956 4.340 -0.002 0.000 0.288 418 L C -0.915 176.094 176.870 0.232 0.000 1.035 418 L CA -0.550 54.342 54.840 0.086 0.000 0.820 418 L CB 0.159 42.204 42.059 -0.023 0.000 1.204 418 L HN 0.326 nan 8.230 nan 0.000 0.424 419 I N 4.618 125.352 120.570 0.275 0.000 2.321 419 I HA 0.326 4.495 4.170 -0.002 0.000 0.291 419 I C -0.037 176.260 176.117 0.300 0.000 0.998 419 I CA -0.048 61.430 61.300 0.296 0.000 1.227 419 I CB 1.247 39.440 38.000 0.322 0.000 1.368 419 I HN 0.563 nan 8.210 nan 0.000 0.466 420 E N 4.696 125.053 120.200 0.261 0.000 2.133 420 E HA 0.228 4.577 4.350 -0.002 0.000 0.274 420 E C -0.436 176.311 176.600 0.244 0.000 0.930 420 E CA -0.633 55.933 56.400 0.277 0.000 0.770 420 E CB 1.030 30.867 29.700 0.228 0.000 1.104 420 E HN 0.302 nan 8.360 nan 0.000 0.403 421 N N 3.408 122.270 118.700 0.269 0.000 3.124 421 N HA -0.017 4.721 4.740 -0.002 0.000 0.284 421 N C -0.772 174.872 175.510 0.225 0.000 1.209 421 N CA -0.001 53.202 53.050 0.256 0.000 1.149 421 N CB -0.277 38.368 38.487 0.262 0.000 1.434 421 N HN 0.462 nan 8.380 nan 0.000 0.529 422 D N 0.891 121.405 120.400 0.190 0.000 2.755 422 D HA -0.174 4.465 4.640 -0.002 0.000 0.227 422 D C -1.353 175.013 176.300 0.109 0.000 1.211 422 D CA 0.113 54.191 54.000 0.129 0.000 0.663 422 D CB 0.239 41.108 40.800 0.114 0.000 0.983 422 D HN 0.428 nan 8.370 nan 0.000 0.407 423 P HA -0.132 nan 4.420 nan 0.000 0.222 423 P C 0.735 178.074 177.300 0.064 0.000 1.147 423 P CA 0.928 64.094 63.100 0.110 0.000 0.790 423 P CB 0.402 32.191 31.700 0.149 0.000 0.780 424 E N -0.226 120.004 120.200 0.050 0.000 2.476 424 E HA 0.209 4.558 4.350 -0.002 0.000 0.196 424 E C 1.221 177.823 176.600 0.003 0.000 1.029 424 E CA -0.048 56.367 56.400 0.025 0.000 0.896 424 E CB 0.092 29.806 29.700 0.023 0.000 1.012 424 E HN 0.196 nan 8.360 nan 0.000 0.475 425 G N 2.341 111.138 108.800 -0.006 0.000 2.504 425 G HA2 0.238 4.197 3.960 -0.002 0.000 0.288 425 G HA3 0.238 4.197 3.960 -0.002 0.000 0.288 425 G C -1.256 173.622 174.900 -0.037 0.000 1.182 425 G CA -0.994 44.072 45.100 -0.058 0.000 0.894 425 G HN -0.120 nan 8.290 nan 0.000 0.521 426 P HA -0.051 nan 4.420 nan 0.000 0.216 426 P C 0.024 177.463 177.300 0.232 0.000 1.150 426 P CA 1.281 64.426 63.100 0.075 0.000 0.843 426 P CB -0.103 31.659 31.700 0.102 0.000 0.787 427 F N -3.587 116.388 119.950 0.042 0.000 2.713 427 F HA 0.753 5.279 4.527 -0.002 0.000 0.311 427 F C -1.165 174.707 175.800 0.119 0.000 1.141 427 F CA -1.442 56.602 58.000 0.072 0.000 0.939 427 F CB 0.956 40.003 39.000 0.078 0.000 1.325 427 F HN -0.304 nan 8.300 nan 0.000 0.453 428 S N 1.372 117.267 115.700 0.324 0.000 2.546 428 S HA 0.858 5.327 4.470 -0.002 0.000 0.274 428 S C -1.624 173.148 174.600 0.287 0.000 1.121 428 S CA -0.683 57.670 58.200 0.256 0.000 0.887 428 S CB 1.244 64.556 63.200 0.187 0.000 1.094 428 S HN 0.767 nan 8.310 nan 0.000 0.474 429 L N 4.087 125.446 121.223 0.228 0.000 2.341 429 L HA 0.646 4.985 4.340 -0.002 0.000 0.267 429 L C -2.324 174.383 176.870 -0.271 0.000 1.009 429 L CA -2.584 52.291 54.840 0.059 0.000 0.819 429 L CB 2.253 44.410 42.059 0.163 0.000 1.323 429 L HN 0.479 nan 8.230 nan 0.000 0.425 430 P HA 0.141 nan 4.420 nan 0.000 0.275 430 P C -1.374 175.692 177.300 -0.389 0.000 1.228 430 P CA 0.013 62.976 63.100 -0.229 0.000 0.786 430 P CB 0.714 32.340 31.700 -0.124 0.000 0.927 431 H N 2.372 121.492 119.070 0.083 0.000 2.689 431 H HA 0.285 4.839 4.556 -0.002 0.000 0.346 431 H C -2.258 173.164 175.328 0.157 0.000 1.037 431 H CA -2.062 54.047 56.048 0.103 0.000 1.234 431 H CB 2.172 31.932 29.762 -0.003 0.000 1.572 431 H HN 0.284 nan 8.280 nan 0.000 0.524 432 P HA 0.102 nan 4.420 nan 0.000 0.274 432 P C -0.177 177.249 177.300 0.209 0.000 1.470 432 P CA -0.451 62.818 63.100 0.283 0.000 1.001 432 P CB 0.270 32.106 31.700 0.227 0.000 1.332 433 M N 3.535 123.233 119.600 0.163 0.000 2.146 433 M HA 0.187 4.666 4.480 -0.002 0.000 0.352 433 M C 0.322 176.755 176.300 0.222 0.000 1.343 433 M CA -0.084 55.218 55.300 0.003 0.000 1.115 433 M CB -0.619 31.898 32.600 -0.139 0.000 1.657 433 M HN 0.407 nan 8.290 nan 0.000 0.471 434 H N 2.957 122.012 119.070 -0.025 0.000 2.524 434 H HA 0.725 5.280 4.556 -0.002 0.000 0.353 434 H C -1.961 173.495 175.328 0.215 0.000 1.136 434 H CA -0.896 55.231 56.048 0.132 0.000 1.193 434 H CB 1.380 31.156 29.762 0.023 0.000 1.558 434 H HN 0.574 nan 8.280 nan 0.000 0.515 435 L N 5.138 126.229 121.223 -0.220 0.000 2.356 435 L HA 0.346 4.684 4.340 -0.002 0.000 0.277 435 L C -0.999 175.642 176.870 -0.381 0.000 0.996 435 L CA -0.292 54.526 54.840 -0.036 0.000 0.822 435 L CB 1.050 43.304 42.059 0.325 0.000 1.256 435 L HN 0.824 nan 8.230 nan 0.000 0.413 436 H N 3.632 122.512 119.070 -0.317 0.000 2.551 436 H HA 0.368 4.923 4.556 -0.002 0.000 0.358 436 H C 0.950 176.054 175.328 -0.375 0.000 1.151 436 H CA 0.155 56.125 56.048 -0.130 0.000 1.374 436 H CB 1.173 31.046 29.762 0.185 0.000 1.473 436 H HN 0.960 nan 8.280 nan 0.000 0.574 437 G N 1.566 110.039 108.800 -0.544 0.000 2.196 437 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.268 437 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.268 437 G C 0.111 174.097 174.900 -1.523 0.000 0.975 437 G CA 0.544 44.725 45.100 -1.532 0.000 0.648 437 G HN 0.786 nan 8.290 nan 0.000 0.538 438 H N -0.850 117.658 119.070 -0.937 0.000 2.966 438 H HA 0.473 5.028 4.556 -0.002 0.000 0.330 438 H C -1.488 173.386 175.328 -0.756 0.000 1.292 438 H CA -0.745 54.731 56.048 -0.954 0.000 1.127 438 H CB 1.634 30.999 29.762 -0.662 0.000 1.863 438 H HN 0.144 nan 8.280 nan 0.000 0.543 439 D N 1.384 121.560 120.400 -0.373 0.000 2.278 439 D HA 0.243 4.881 4.640 -0.002 0.000 0.245 439 D C -0.383 175.899 176.300 -0.030 0.000 1.052 439 D CA -0.306 53.580 54.000 -0.190 0.000 0.834 439 D CB 1.462 42.288 40.800 0.044 0.000 1.194 439 D HN 0.187 nan 8.370 nan 0.000 0.481 440 F N 0.248 120.260 119.950 0.104 0.000 2.457 440 F HA 0.606 5.132 4.527 -0.001 0.000 0.330 440 F C -0.489 175.401 175.800 0.151 0.000 1.069 440 F CA -1.329 56.762 58.000 0.152 0.000 1.009 440 F CB 0.421 39.505 39.000 0.140 0.000 1.276 440 F HN 0.023 nan 8.300 nan 0.000 0.492 441 L N 2.196 123.696 121.223 0.462 0.000 2.295 441 L HA 0.479 4.818 4.340 -0.002 0.000 0.285 441 L C -0.729 176.295 176.870 0.256 0.000 1.035 441 L CA -1.216 53.779 54.840 0.258 0.000 0.806 441 L CB 1.736 43.815 42.059 0.035 0.000 1.214 441 L HN 0.471 nan 8.230 nan 0.000 0.426 442 V N 5.486 125.547 119.914 0.245 0.000 2.322 442 V HA 0.092 4.211 4.120 -0.002 0.000 0.258 442 V C 1.197 177.351 176.094 0.100 0.000 1.074 442 V CA -0.156 62.251 62.300 0.178 0.000 0.909 442 V CB 0.665 32.615 31.823 0.211 0.000 1.090 442 V HN 0.715 nan 8.190 nan 0.000 0.486 443 L N 3.509 124.774 121.223 0.070 0.000 2.240 443 L HA 0.379 4.718 4.340 -0.002 0.000 0.211 443 L C 1.178 178.105 176.870 0.095 0.000 1.106 443 L CA 1.051 55.927 54.840 0.059 0.000 0.793 443 L CB -0.208 41.871 42.059 0.034 0.000 0.927 443 L HN 0.817 nan 8.230 nan 0.000 0.446 444 G N 0.006 108.870 108.800 0.106 0.000 2.347 444 G HA2 0.365 4.323 3.960 -0.002 0.000 0.303 444 G HA3 0.365 4.323 3.960 -0.002 0.000 0.303 444 G C -1.579 173.309 174.900 -0.020 0.000 1.481 444 G CA -0.849 44.307 45.100 0.093 0.000 0.914 444 G HN 0.162 nan 8.290 nan 0.000 0.638 445 R N -1.458 118.845 120.500 -0.329 0.000 2.795 445 R HA 0.808 5.147 4.340 -0.002 0.000 0.268 445 R C 0.181 175.750 176.300 -1.219 0.000 1.041 445 R CA -0.342 55.278 56.100 -0.801 0.000 0.927 445 R CB 0.948 31.018 30.300 -0.384 0.000 1.235 445 R HN 1.190 nan 8.270 nan 0.000 0.463 446 S N 1.095 115.881 115.700 -1.523 0.000 2.568 446 S HA 0.192 4.661 4.470 -0.002 0.000 0.282 446 S C -1.872 172.319 174.600 -0.682 0.000 1.338 446 S CA -0.976 56.550 58.200 -1.124 0.000 1.045 446 S CB 0.033 62.758 63.200 -0.792 0.000 0.873 446 S HN 0.536 nan 8.310 nan 0.000 0.516 447 P HA 0.014 nan 4.420 nan 0.000 0.261 447 P C -0.730 176.373 177.300 -0.329 0.000 1.173 447 P CA 0.142 62.946 63.100 -0.493 0.000 0.760 447 P CB 0.166 31.543 31.700 -0.539 0.000 0.783 448 D N 2.198 122.481 120.400 -0.194 0.000 2.389 448 D HA 0.143 4.782 4.640 -0.002 0.000 0.263 448 D C 0.653 176.923 176.300 -0.051 0.000 1.255 448 D CA 0.435 54.368 54.000 -0.112 0.000 0.914 448 D CB 0.208 40.948 40.800 -0.100 0.000 1.116 448 D HN 0.138 nan 8.370 nan 0.000 0.502 449 V N 0.510 120.428 119.914 0.007 0.000 3.141 449 V HA 0.652 4.771 4.120 -0.002 0.000 0.312 449 V C -2.746 173.374 176.094 0.043 0.000 1.157 449 V CA -2.648 59.689 62.300 0.063 0.000 1.041 449 V CB 1.592 33.528 31.823 0.189 0.000 1.071 449 V HN 0.090 nan 8.190 nan 0.000 0.441 450 P HA 0.218 nan 4.420 nan 0.000 0.261 450 P C 0.770 178.092 177.300 0.036 0.000 1.183 450 P CA 0.699 63.817 63.100 0.029 0.000 0.761 450 P CB 0.959 32.678 31.700 0.033 0.000 0.785 451 A N 4.149 126.980 122.820 0.018 0.000 2.186 451 A HA -0.081 4.238 4.320 -0.002 0.000 0.219 451 A C 1.687 179.295 177.584 0.040 0.000 1.159 451 A CA 1.917 53.965 52.037 0.019 0.000 0.680 451 A CB -0.792 18.202 19.000 -0.011 0.000 0.787 451 A HN 0.544 nan 8.150 nan 0.000 0.467 452 A N -0.591 122.255 122.820 0.044 0.000 2.469 452 A HA 0.353 4.671 4.320 -0.002 0.000 0.245 452 A C 1.927 179.540 177.584 0.047 0.000 1.221 452 A CA 0.934 53.000 52.037 0.049 0.000 0.946 452 A CB -0.392 18.634 19.000 0.044 0.000 1.049 452 A HN 0.771 nan 8.150 nan 0.000 0.529 453 S N -0.736 114.992 115.700 0.047 0.000 2.402 453 S HA -0.164 4.305 4.470 -0.002 0.000 0.229 453 S C 0.992 175.614 174.600 0.035 0.000 1.021 453 S CA 1.188 59.412 58.200 0.040 0.000 0.974 453 S CB -0.201 63.025 63.200 0.044 0.000 0.800 453 S HN 0.484 nan 8.310 nan 0.000 0.484 454 Q N -0.050 119.779 119.800 0.048 0.000 2.493 454 Q HA -0.159 4.180 4.340 -0.002 0.000 0.260 454 Q C -0.788 175.207 176.000 -0.009 0.000 0.905 454 Q CA 0.794 56.626 55.803 0.048 0.000 1.140 454 Q CB -2.311 26.465 28.738 0.064 0.000 1.435 454 Q HN 0.839 nan 8.270 nan 0.000 0.581 455 Q N 1.091 120.867 119.800 -0.040 0.000 2.293 455 Q HA 0.214 4.552 4.340 -0.002 0.000 0.263 455 Q C 0.150 175.941 176.000 -0.348 0.000 1.002 455 Q CA 0.020 55.708 55.803 -0.192 0.000 0.910 455 Q CB 0.747 29.401 28.738 -0.141 0.000 1.185 455 Q HN 0.023 nan 8.270 nan 0.000 0.401 456 R N 2.724 122.959 120.500 -0.443 0.000 2.474 456 R HA 0.513 4.851 4.340 -0.002 0.000 0.295 456 R C -0.836 175.101 176.300 -0.606 0.000 0.980 456 R CA -0.393 55.501 56.100 -0.344 0.000 0.934 456 R CB 0.638 30.871 30.300 -0.112 0.000 1.101 456 R HN 0.415 nan 8.270 nan 0.000 0.469 457 F N 0.293 120.351 119.950 0.180 0.000 2.547 457 F HA 0.396 4.923 4.527 -0.001 0.000 0.316 457 F C -0.138 175.890 175.800 0.381 0.000 1.121 457 F CA -1.022 57.136 58.000 0.263 0.000 0.911 457 F CB 2.043 41.218 39.000 0.290 0.000 1.179 457 F HN 0.006 nan 8.300 nan 0.000 0.443 458 V N 3.434 123.620 119.914 0.453 0.000 2.448 458 V HA 0.253 4.372 4.120 -0.002 0.000 0.295 458 V C -0.364 175.839 176.094 0.182 0.000 1.025 458 V CA -1.105 61.378 62.300 0.305 0.000 0.859 458 V CB 1.688 33.616 31.823 0.174 0.000 0.988 458 V HN 0.611 nan 8.190 nan 0.000 0.431 459 F N 4.547 124.336 119.950 -0.269 0.000 2.473 459 F HA 0.004 4.529 4.527 -0.003 0.000 0.405 459 F C 0.479 176.147 175.800 -0.219 0.000 0.988 459 F CA 0.699 58.347 58.000 -0.587 0.000 1.096 459 F CB 0.067 38.584 39.000 -0.804 0.000 0.944 459 F HN 0.572 nan 8.300 nan 0.000 0.530 460 D N 8.846 128.884 120.400 -0.604 0.000 2.414 460 D HA 0.287 4.926 4.640 -0.002 0.000 0.232 460 D C -1.995 173.914 176.300 -0.652 0.000 1.070 460 D CA -2.303 51.453 54.000 -0.405 0.000 0.839 460 D CB 2.027 42.729 40.800 -0.164 0.000 1.079 460 D HN 0.201 nan 8.370 nan 0.000 0.521 461 P HA -0.087 nan 4.420 nan 0.000 0.218 461 P C 0.991 178.154 177.300 -0.229 0.000 1.148 461 P CA 1.117 63.987 63.100 -0.384 0.000 0.822 461 P CB 0.298 31.910 31.700 -0.147 0.000 0.784 462 A N -0.817 121.902 122.820 -0.168 0.000 2.070 462 A HA -0.117 4.202 4.320 -0.002 0.000 0.220 462 A C 1.985 179.517 177.584 -0.087 0.000 1.159 462 A CA 2.255 54.231 52.037 -0.100 0.000 0.656 462 A CB -1.234 17.724 19.000 -0.071 0.000 0.800 462 A HN 0.236 nan 8.150 nan 0.000 0.453 463 V N -4.880 114.964 119.914 -0.116 0.000 3.371 463 V HA 0.137 4.256 4.120 -0.002 0.000 0.246 463 V C 1.257 177.309 176.094 -0.070 0.000 1.303 463 V CA 0.791 63.049 62.300 -0.071 0.000 1.156 463 V CB -0.274 31.527 31.823 -0.037 0.000 0.929 463 V HN 0.220 nan 8.190 nan 0.000 0.459 464 D N 1.051 121.349 120.400 -0.169 0.000 2.277 464 D HA 0.112 4.751 4.640 -0.002 0.000 0.208 464 D C 2.073 178.370 176.300 -0.006 0.000 0.962 464 D CA 0.942 54.880 54.000 -0.103 0.000 0.865 464 D CB 0.342 40.934 40.800 -0.346 0.000 0.939 464 D HN 0.392 nan 8.370 nan 0.000 0.510 465 L N 0.716 121.901 121.223 -0.063 0.000 2.201 465 L HA -0.087 4.252 4.340 -0.002 0.000 0.212 465 L C 2.288 179.199 176.870 0.068 0.000 1.105 465 L CA 0.707 55.587 54.840 0.068 0.000 0.775 465 L CB -0.119 41.967 42.059 0.044 0.000 0.913 465 L HN -0.031 nan 8.230 nan 0.000 0.440 466 A N -0.644 122.197 122.820 0.035 0.000 2.132 466 A HA -0.028 4.291 4.320 -0.002 0.000 0.213 466 A C 2.179 179.791 177.584 0.047 0.000 1.154 466 A CA 0.411 52.467 52.037 0.032 0.000 0.753 466 A CB -0.185 18.822 19.000 0.011 0.000 0.826 466 A HN 0.272 nan 8.150 nan 0.000 0.469 467 R N -0.650 119.895 120.500 0.074 0.000 2.310 467 R HA 0.265 4.603 4.340 -0.002 0.000 0.202 467 R C -0.321 176.047 176.300 0.114 0.000 0.933 467 R CA -0.114 56.037 56.100 0.085 0.000 1.054 467 R CB -0.121 30.240 30.300 0.102 0.000 0.985 467 R HN 0.406 nan 8.270 nan 0.000 0.489 468 L N 0.666 121.970 121.223 0.134 0.000 2.399 468 L HA 0.215 4.553 4.340 -0.002 0.000 0.266 468 L C -0.019 176.895 176.870 0.073 0.000 1.114 468 L CA -0.606 54.312 54.840 0.130 0.000 0.804 468 L CB 0.619 42.768 42.059 0.151 0.000 1.146 468 L HN -0.071 nan 8.230 nan 0.000 0.451 469 N N 0.225 118.960 118.700 0.057 0.000 2.448 469 N HA 0.378 5.116 4.740 -0.002 0.000 0.279 469 N C 0.103 175.619 175.510 0.010 0.000 1.025 469 N CA -0.335 52.734 53.050 0.031 0.000 0.898 469 N CB 1.893 40.399 38.487 0.031 0.000 1.303 469 N HN 0.634 nan 8.380 nan 0.000 0.495 470 G N 1.386 110.182 108.800 -0.007 0.000 3.192 470 G HA2 0.008 3.967 3.960 -0.002 0.000 0.239 470 G HA3 0.008 3.967 3.960 -0.002 0.000 0.239 470 G C -0.154 174.711 174.900 -0.058 0.000 1.084 470 G CA -0.202 44.870 45.100 -0.047 0.000 0.784 470 G HN 0.556 nan 8.290 nan 0.000 0.540 471 D N 1.086 121.470 120.400 -0.026 0.000 2.500 471 D HA 0.177 4.816 4.640 -0.002 0.000 0.219 471 D C 0.482 176.777 176.300 -0.009 0.000 1.137 471 D CA -0.574 53.416 54.000 -0.018 0.000 0.946 471 D CB -0.341 40.458 40.800 -0.003 0.000 1.022 471 D HN 0.019 nan 8.370 nan 0.000 0.518 472 N N 2.576 121.265 118.700 -0.019 0.000 2.671 472 N HA -0.126 4.613 4.740 -0.002 0.000 0.261 472 N C -2.519 173.000 175.510 0.016 0.000 1.053 472 N CA 0.312 53.362 53.050 0.000 0.000 0.732 472 N CB -0.236 38.263 38.487 0.020 0.000 0.887 472 N HN 0.302 nan 8.380 nan 0.000 0.546 473 P HA 0.312 nan 4.420 nan 0.000 0.277 473 P C -2.719 174.622 177.300 0.068 0.000 1.271 473 P CA -1.083 62.040 63.100 0.038 0.000 0.795 473 P CB 0.125 31.842 31.700 0.028 0.000 1.101 474 P HA 0.121 nan 4.420 nan 0.000 0.264 474 P C -0.170 177.212 177.300 0.136 0.000 1.193 474 P CA 0.597 63.766 63.100 0.115 0.000 0.763 474 P CB 0.334 32.116 31.700 0.136 0.000 0.810 475 R N 4.197 124.761 120.500 0.107 0.000 2.310 475 R HA 0.466 4.805 4.340 -0.002 0.000 0.324 475 R C 0.301 176.611 176.300 0.017 0.000 0.955 475 R CA -0.583 55.575 56.100 0.097 0.000 0.830 475 R CB 0.865 31.235 30.300 0.116 0.000 1.154 475 R HN 0.626 nan 8.270 nan 0.000 0.458 476 R N 1.158 121.593 120.500 -0.109 0.000 2.756 476 R HA 0.187 4.525 4.340 -0.002 0.000 0.273 476 R C -0.953 174.977 176.300 -0.617 0.000 1.030 476 R CA -0.665 55.298 56.100 -0.228 0.000 0.887 476 R CB 0.281 30.505 30.300 -0.127 0.000 1.274 476 R HN 0.509 nan 8.270 nan 0.000 0.461 477 D N -0.873 119.288 120.400 -0.397 0.000 2.379 477 D HA 0.126 4.765 4.640 -0.002 0.000 0.208 477 D C -0.510 175.742 176.300 -0.080 0.000 1.065 477 D CA 0.187 53.953 54.000 -0.390 0.000 0.848 477 D CB 0.718 41.534 40.800 0.028 0.000 0.949 477 D HN 0.455 nan 8.370 nan 0.000 0.509 478 T N -0.733 113.850 114.554 0.048 0.000 2.971 478 T HA 0.567 4.916 4.350 -0.002 0.000 0.304 478 T C -1.081 173.860 174.700 0.401 0.000 1.038 478 T CA -0.690 61.632 62.100 0.370 0.000 1.007 478 T CB 2.182 71.193 68.868 0.237 0.000 1.055 478 T HN -0.040 nan 8.240 nan 0.000 0.451 479 T N 2.347 117.223 114.554 0.536 0.000 2.843 479 T HA 0.598 4.947 4.350 -0.002 0.000 0.302 479 T C -1.181 173.698 174.700 0.298 0.000 1.232 479 T CA -0.834 61.504 62.100 0.397 0.000 1.009 479 T CB 1.037 70.176 68.868 0.451 0.000 1.254 479 T HN 0.367 nan 8.240 nan 0.000 0.504 480 M N 3.034 122.784 119.600 0.249 0.000 2.180 480 M HA 0.411 4.889 4.480 -0.002 0.000 0.358 480 M C -0.530 175.851 176.300 0.135 0.000 1.233 480 M CA -0.835 54.588 55.300 0.205 0.000 1.114 480 M CB 0.587 33.294 32.600 0.180 0.000 1.594 480 M HN 0.482 nan 8.290 nan 0.000 0.467 481 L N 7.201 128.511 121.223 0.144 0.000 2.257 481 L HA 0.504 4.843 4.340 -0.002 0.000 0.290 481 L C -2.417 174.506 176.870 0.089 0.000 1.044 481 L CA -1.530 53.388 54.840 0.130 0.000 0.810 481 L CB 0.784 42.958 42.059 0.191 0.000 1.193 481 L HN 0.370 nan 8.230 nan 0.000 0.425 482 P HA 0.157 nan 4.420 nan 0.000 0.269 482 P C -0.959 176.383 177.300 0.069 0.000 1.209 482 P CA -0.224 62.887 63.100 0.018 0.000 0.776 482 P CB 0.542 32.219 31.700 -0.038 0.000 0.876 483 A N 2.916 125.770 122.820 0.057 0.000 2.520 483 A HA 0.420 4.739 4.320 -0.002 0.000 0.245 483 A C 1.591 179.255 177.584 0.134 0.000 1.072 483 A CA 0.610 52.698 52.037 0.086 0.000 0.761 483 A CB -1.432 17.610 19.000 0.070 0.000 1.004 483 A HN 0.871 nan 8.150 nan 0.000 0.499 484 G N 1.554 110.447 108.800 0.155 0.000 2.186 484 G HA2 -0.096 3.863 3.960 -0.002 0.000 0.266 484 G HA3 -0.096 3.863 3.960 -0.002 0.000 0.266 484 G C 0.925 175.956 174.900 0.219 0.000 0.982 484 G CA 1.220 46.413 45.100 0.156 0.000 0.670 484 G HN 1.773 nan 8.290 nan 0.000 0.533 485 G N -0.803 108.147 108.800 0.250 0.000 3.194 485 G HA2 0.725 4.684 3.960 -0.002 0.000 0.160 485 G HA3 0.725 4.684 3.960 -0.002 0.000 0.160 485 G C 0.089 175.213 174.900 0.374 0.000 1.267 485 G CA -0.144 45.144 45.100 0.314 0.000 0.962 485 G HN 1.127 nan 8.290 nan 0.000 0.612 486 W N -2.266 119.164 121.300 0.216 0.000 3.025 486 W HA 0.727 5.386 4.660 -0.002 0.000 0.343 486 W C -2.647 173.959 176.519 0.144 0.000 1.246 486 W CA -1.104 56.353 57.345 0.187 0.000 1.178 486 W CB 1.190 30.785 29.460 0.225 0.000 1.463 486 W HN 0.565 nan 8.180 nan 0.000 0.578 487 L N 2.916 124.419 121.223 0.468 0.000 2.464 487 L HA 0.626 4.965 4.340 -0.002 0.000 0.266 487 L C -1.889 175.182 176.870 0.335 0.000 0.965 487 L CA -0.705 54.305 54.840 0.284 0.000 0.833 487 L CB 1.918 44.073 42.059 0.161 0.000 1.296 487 L HN 0.411 nan 8.230 nan 0.000 0.405 488 L N 5.703 127.093 121.223 0.278 0.000 2.298 488 L HA 0.688 5.027 4.340 -0.002 0.000 0.284 488 L C -1.437 175.436 176.870 0.006 0.000 1.013 488 L CA 0.014 54.897 54.840 0.071 0.000 0.824 488 L CB 1.017 43.056 42.059 -0.033 0.000 1.221 488 L HN 0.597 nan 8.230 nan 0.000 0.418 489 L N 4.282 125.494 121.223 -0.019 0.000 2.303 489 L HA 0.996 5.334 4.340 -0.002 0.000 0.266 489 L C -0.432 176.434 176.870 -0.007 0.000 1.011 489 L CA -0.918 53.904 54.840 -0.029 0.000 0.818 489 L CB 1.968 43.926 42.059 -0.168 0.000 1.326 489 L HN 0.695 nan 8.230 nan 0.000 0.435 490 A N 1.620 124.459 122.820 0.031 0.000 2.488 490 A HA 0.817 5.136 4.320 -0.002 0.000 0.298 490 A C -1.373 176.364 177.584 0.254 0.000 1.044 490 A CA -0.362 51.633 52.037 -0.071 0.000 0.693 490 A CB 1.455 20.221 19.000 -0.391 0.000 1.272 490 A HN 0.583 nan 8.150 nan 0.000 0.402 491 F N 0.001 119.994 119.950 0.071 0.000 2.588 491 F HA 0.826 5.352 4.527 -0.002 0.000 0.310 491 F C -0.493 175.147 175.800 -0.266 0.000 1.082 491 F CA -0.978 57.001 58.000 -0.035 0.000 0.929 491 F CB 1.552 40.363 39.000 -0.315 0.000 1.254 491 F HN 0.633 nan 8.300 nan 0.000 0.455 492 R N 1.330 121.536 120.500 -0.490 0.000 2.297 492 R HA 0.350 4.689 4.340 -0.002 0.000 0.308 492 R C -0.114 175.955 176.300 -0.385 0.000 1.029 492 R CA -0.141 55.457 56.100 -0.836 0.000 0.929 492 R CB 1.167 30.646 30.300 -1.368 0.000 1.046 492 R HN 0.932 nan 8.270 nan 0.000 0.461 493 T N 0.698 115.055 114.554 -0.329 0.000 4.475 493 T HA 0.037 4.386 4.350 -0.002 0.000 0.254 493 T C 0.095 174.811 174.700 0.026 0.000 1.160 493 T CA -0.539 61.527 62.100 -0.057 0.000 1.091 493 T CB -0.324 68.504 68.868 -0.065 0.000 1.377 493 T HN 0.642 nan 8.240 nan 0.000 1.057 494 D N -0.156 120.300 120.400 0.093 0.000 2.368 494 D HA 0.098 4.737 4.640 -0.002 0.000 0.218 494 D C 0.228 176.581 176.300 0.089 0.000 1.112 494 D CA -0.479 53.550 54.000 0.049 0.000 0.834 494 D CB 0.115 40.898 40.800 -0.028 0.000 0.953 494 D HN 0.402 nan 8.370 nan 0.000 0.505 495 N N 0.759 119.563 118.700 0.174 0.000 2.685 495 N HA 0.258 4.997 4.740 -0.002 0.000 0.252 495 N C -3.030 172.721 175.510 0.403 0.000 1.261 495 N CA -1.700 51.445 53.050 0.158 0.000 0.768 495 N CB 1.451 39.814 38.487 -0.206 0.000 1.304 495 N HN -0.204 nan 8.380 nan 0.000 0.536 496 P HA 0.280 nan 4.420 nan 0.000 0.262 496 P C 0.075 177.498 177.300 0.206 0.000 1.199 496 P CA 0.436 63.680 63.100 0.239 0.000 0.763 496 P CB 0.625 32.405 31.700 0.134 0.000 0.790 497 G N 1.819 110.651 108.800 0.054 0.000 2.315 497 G HA2 0.486 4.444 3.960 -0.002 0.000 0.294 497 G HA3 0.486 4.444 3.960 -0.002 0.000 0.294 497 G C -1.889 172.586 174.900 -0.709 0.000 1.300 497 G CA -0.235 44.589 45.100 -0.460 0.000 0.843 497 G HN 0.389 nan 8.290 nan 0.000 0.527 498 A N -0.331 121.951 122.820 -0.896 0.000 2.280 498 A HA 0.683 5.002 4.320 -0.002 0.000 0.320 498 A C -1.120 176.035 177.584 -0.715 0.000 1.366 498 A CA -0.386 51.293 52.037 -0.597 0.000 0.938 498 A CB -0.204 18.562 19.000 -0.389 0.000 1.157 498 A HN 0.640 nan 8.150 nan 0.000 0.536 499 W N 3.120 124.414 121.300 -0.010 0.000 2.471 499 W HA 0.548 5.206 4.660 -0.002 0.000 0.318 499 W C -0.295 176.164 176.519 -0.100 0.000 1.034 499 W CA -0.736 56.595 57.345 -0.024 0.000 1.224 499 W CB 1.219 30.698 29.460 0.031 0.000 1.335 499 W HN 0.411 nan 8.180 nan 0.000 0.452 500 L N 3.670 124.835 121.223 -0.097 0.000 2.397 500 L HA 0.319 4.658 4.340 -0.002 0.000 0.271 500 L C -0.455 176.380 176.870 -0.058 0.000 1.148 500 L CA -0.367 54.315 54.840 -0.264 0.000 0.825 500 L CB 0.281 41.958 42.059 -0.637 0.000 1.117 500 L HN 0.341 nan 8.230 nan 0.000 0.456 501 F N 3.871 123.710 119.950 -0.185 0.000 2.577 501 F HA 0.457 4.983 4.527 -0.003 0.000 0.344 501 F C -0.277 175.482 175.800 -0.068 0.000 1.145 501 F CA -0.502 57.412 58.000 -0.143 0.000 0.996 501 F CB 0.542 39.424 39.000 -0.196 0.000 1.248 501 F HN 0.577 nan 8.300 nan 0.000 0.447 502 H N 1.985 120.795 119.070 -0.432 0.000 2.990 502 H HA 0.533 5.088 4.556 -0.002 0.000 0.343 502 H C -1.259 173.920 175.328 -0.248 0.000 1.270 502 H CA -1.426 54.412 56.048 -0.349 0.000 1.118 502 H CB 0.970 30.633 29.762 -0.165 0.000 1.861 502 H HN 0.633 nan 8.280 nan 0.000 0.544 503 C N 1.833 121.112 119.300 -0.035 0.000 2.593 503 C HA 0.138 4.597 4.460 -0.002 0.000 0.409 503 C C 1.361 176.495 174.990 0.241 0.000 1.304 503 C CA -0.157 58.882 59.018 0.035 0.000 2.007 503 C CB -0.728 26.993 27.740 -0.031 0.000 2.614 503 C HN 1.016 nan 8.230 nan 0.000 0.585 504 H N 3.637 122.798 119.070 0.152 0.000 2.539 504 H HA 0.252 4.807 4.556 -0.002 0.000 0.267 504 H C 0.584 175.950 175.328 0.063 0.000 0.982 504 H CA 0.482 56.647 56.048 0.194 0.000 1.146 504 H CB 0.127 29.976 29.762 0.146 0.000 1.382 504 H HN 0.661 nan 8.280 nan 0.000 0.577 505 I N 1.518 122.132 120.570 0.073 0.000 2.494 505 I HA -0.063 4.105 4.170 -0.002 0.000 0.289 505 I C 1.690 177.642 176.117 -0.275 0.000 1.106 505 I CA -0.104 61.070 61.300 -0.209 0.000 1.369 505 I CB 1.138 38.891 38.000 -0.412 0.000 1.410 505 I HN 0.131 nan 8.210 nan 0.000 0.523 506 A N 7.295 129.840 122.820 -0.458 0.000 1.927 506 A HA -0.202 4.117 4.320 -0.002 0.000 0.220 506 A C 1.845 179.369 177.584 -0.101 0.000 1.185 506 A CA 1.741 53.547 52.037 -0.384 0.000 0.639 506 A CB -0.696 17.855 19.000 -0.748 0.000 0.820 506 A HN 0.929 nan 8.150 nan 0.000 0.451 507 W N -1.523 119.746 121.300 -0.051 0.000 2.402 507 W HA -0.072 4.587 4.660 -0.003 0.000 0.286 507 W C 2.233 178.860 176.519 0.180 0.000 1.221 507 W CA 0.669 58.030 57.345 0.027 0.000 1.257 507 W CB -0.475 28.979 29.460 -0.010 0.000 1.120 507 W HN 0.523 nan 8.180 nan 0.000 0.551 508 H N -0.550 118.608 119.070 0.147 0.000 2.343 508 H HA -0.121 4.434 4.556 -0.002 0.000 0.303 508 H C 2.429 177.746 175.328 -0.019 0.000 1.068 508 H CA 1.124 57.129 56.048 -0.071 0.000 1.359 508 H CB -0.361 29.159 29.762 -0.403 0.000 1.402 508 H HN -0.038 nan 8.280 nan 0.000 0.515 509 V N 0.447 120.423 119.914 0.104 0.000 2.490 509 V HA -0.229 3.890 4.120 -0.002 0.000 0.250 509 V C 2.030 178.157 176.094 0.056 0.000 1.061 509 V CA 1.861 64.178 62.300 0.029 0.000 1.064 509 V CB -0.266 31.521 31.823 -0.060 0.000 0.670 509 V HN 0.328 nan 8.190 nan 0.000 0.461 510 S N 0.474 116.249 115.700 0.125 0.000 2.383 510 S HA -0.062 4.407 4.470 -0.002 0.000 0.227 510 S C 1.785 176.478 174.600 0.156 0.000 1.026 510 S CA 1.238 59.522 58.200 0.140 0.000 0.981 510 S CB -0.536 62.789 63.200 0.210 0.000 0.818 510 S HN 0.775 nan 8.310 nan 0.000 0.472 511 G N -0.253 108.700 108.800 0.255 0.000 2.848 511 G HA2 0.359 4.318 3.960 -0.002 0.000 0.208 511 G HA3 0.359 4.318 3.960 -0.002 0.000 0.208 511 G C 0.904 175.946 174.900 0.237 0.000 1.152 511 G CA 0.500 45.784 45.100 0.307 0.000 0.789 511 G HN 0.794 nan 8.290 nan 0.000 0.531 512 G N -0.646 108.244 108.800 0.150 0.000 2.184 512 G HA2 -0.225 3.733 3.960 -0.002 0.000 0.206 512 G HA3 -0.225 3.733 3.960 -0.002 0.000 0.206 512 G C 0.419 175.353 174.900 0.057 0.000 0.995 512 G CA -0.026 45.121 45.100 0.078 0.000 0.651 512 G HN 0.485 nan 8.290 nan 0.000 0.511 513 L N 2.330 123.589 121.223 0.061 0.000 2.451 513 L HA 0.588 4.927 4.340 -0.002 0.000 0.272 513 L C 0.418 177.240 176.870 -0.080 0.000 1.258 513 L CA 0.619 55.435 54.840 -0.040 0.000 1.132 513 L CB 0.109 42.041 42.059 -0.211 0.000 1.361 513 L HN 0.283 nan 8.230 nan 0.000 0.438 514 S N 2.052 117.702 115.700 -0.084 0.000 2.578 514 S HA 0.679 5.147 4.470 -0.002 0.000 0.272 514 S C -1.067 173.450 174.600 -0.138 0.000 1.145 514 S CA -0.513 57.621 58.200 -0.111 0.000 0.835 514 S CB 1.624 64.752 63.200 -0.121 0.000 1.104 514 S HN 0.245 nan 8.310 nan 0.000 0.458 515 V N 0.635 120.441 119.914 -0.180 0.000 2.962 515 V HA 0.805 4.924 4.120 -0.002 0.000 0.313 515 V C -1.376 174.513 176.094 -0.342 0.000 1.099 515 V CA -0.782 61.354 62.300 -0.273 0.000 0.971 515 V CB 2.006 33.606 31.823 -0.371 0.000 1.028 515 V HN 0.833 nan 8.190 nan 0.000 0.430 516 D N 1.825 122.011 120.400 -0.356 0.000 2.440 516 D HA 0.436 5.075 4.640 -0.002 0.000 0.239 516 D C -1.213 174.911 176.300 -0.293 0.000 1.084 516 D CA -0.468 53.353 54.000 -0.298 0.000 0.843 516 D CB 1.170 41.816 40.800 -0.257 0.000 1.097 516 D HN 0.401 nan 8.370 nan 0.000 0.531 517 F N 3.690 123.575 119.950 -0.108 0.000 2.439 517 F HA 0.203 4.728 4.527 -0.002 0.000 0.356 517 F C 0.539 176.311 175.800 -0.047 0.000 1.161 517 F CA -0.743 57.213 58.000 -0.072 0.000 1.151 517 F CB 0.595 39.578 39.000 -0.029 0.000 1.222 517 F HN 0.259 nan 8.300 nan 0.000 0.558 518 L N 4.849 126.125 121.223 0.088 0.000 2.356 518 L HA 0.232 4.570 4.340 -0.002 0.000 0.282 518 L C 0.229 177.160 176.870 0.101 0.000 1.132 518 L CA 0.008 54.836 54.840 -0.021 0.000 0.923 518 L CB -0.021 41.935 42.059 -0.172 0.000 1.278 518 L HN 0.513 nan 8.230 nan 0.000 0.436 519 E N 4.738 125.035 120.200 0.161 0.000 2.152 519 E HA 0.221 4.570 4.350 -0.002 0.000 0.285 519 E C -0.167 176.526 176.600 0.156 0.000 1.043 519 E CA -0.515 56.026 56.400 0.236 0.000 0.839 519 E CB 0.284 30.248 29.700 0.441 0.000 1.069 519 E HN 0.512 nan 8.360 nan 0.000 0.399 520 R N 3.834 124.412 120.500 0.129 0.000 3.092 520 R HA -0.154 4.185 4.340 -0.002 0.000 0.245 520 R C -1.813 174.531 176.300 0.073 0.000 0.881 520 R CA 0.253 56.410 56.100 0.095 0.000 0.614 520 R CB -1.031 29.326 30.300 0.097 0.000 1.128 520 R HN 0.626 nan 8.270 nan 0.000 0.483 521 P HA -0.340 nan 4.420 nan 0.000 0.217 521 P C 1.228 178.558 177.300 0.050 0.000 1.158 521 P CA 2.268 65.400 63.100 0.055 0.000 0.887 521 P CB 0.085 31.838 31.700 0.088 0.000 0.792 522 A N 0.090 122.942 122.820 0.054 0.000 1.933 522 A HA -0.193 4.126 4.320 -0.002 0.000 0.218 522 A C 2.047 179.654 177.584 0.038 0.000 1.175 522 A CA 2.087 54.151 52.037 0.044 0.000 0.628 522 A CB -1.178 17.848 19.000 0.043 0.000 0.814 522 A HN 0.105 nan 8.150 nan 0.000 0.444 523 D N -0.635 119.791 120.400 0.043 0.000 2.183 523 D HA -0.075 4.564 4.640 -0.002 0.000 0.203 523 D C 1.828 178.151 176.300 0.038 0.000 0.969 523 D CA 0.939 54.965 54.000 0.043 0.000 0.842 523 D CB -0.276 40.556 40.800 0.054 0.000 0.957 523 D HN 0.367 nan 8.370 nan 0.000 0.484 524 L N 1.110 122.353 121.223 0.032 0.000 2.046 524 L HA -0.093 4.246 4.340 -0.002 0.000 0.208 524 L C 2.204 179.070 176.870 -0.005 0.000 1.077 524 L CA 1.643 56.488 54.840 0.010 0.000 0.747 524 L CB -0.332 41.715 42.059 -0.020 0.000 0.896 524 L HN -0.162 nan 8.230 nan 0.000 0.432 525 R N -0.858 119.642 120.500 -0.001 0.000 2.081 525 R HA -0.202 4.136 4.340 -0.002 0.000 0.235 525 R C 2.402 178.702 176.300 -0.000 0.000 1.131 525 R CA 1.923 58.018 56.100 -0.008 0.000 0.960 525 R CB -0.267 30.036 30.300 0.005 0.000 0.856 525 R HN 0.571 nan 8.270 nan 0.000 0.436 526 Q N -0.115 119.692 119.800 0.012 0.000 2.224 526 Q HA -0.093 4.245 4.340 -0.002 0.000 0.203 526 Q C 1.429 177.440 176.000 0.019 0.000 0.970 526 Q CA 1.172 56.985 55.803 0.016 0.000 0.865 526 Q CB 0.249 29.000 28.738 0.022 0.000 0.922 526 Q HN 0.254 nan 8.270 nan 0.000 0.445 527 R N -0.418 120.096 120.500 0.022 0.000 2.317 527 R HA 0.212 4.550 4.340 -0.002 0.000 0.208 527 R C -0.133 176.183 176.300 0.028 0.000 0.914 527 R CA -0.088 56.031 56.100 0.031 0.000 1.060 527 R CB 0.436 30.764 30.300 0.046 0.000 1.015 527 R HN 0.165 nan 8.270 nan 0.000 0.498 528 I N 2.358 122.933 120.570 0.008 0.000 2.312 528 I HA 0.013 4.181 4.170 -0.002 0.000 0.291 528 I C 0.676 176.799 176.117 0.010 0.000 1.031 528 I CA -0.296 61.003 61.300 -0.003 0.000 1.293 528 I CB 1.197 39.166 38.000 -0.050 0.000 1.403 528 I HN 0.106 nan 8.210 nan 0.000 0.484 529 S N 5.592 121.310 115.700 0.029 0.000 2.593 529 S HA 0.101 4.570 4.470 -0.002 0.000 0.269 529 S C 0.896 175.514 174.600 0.029 0.000 1.334 529 S CA -0.586 57.634 58.200 0.034 0.000 1.015 529 S CB 1.380 64.610 63.200 0.050 0.000 0.912 529 S HN 0.570 nan 8.310 nan 0.000 0.541 530 Q N 0.970 120.787 119.800 0.029 0.000 2.226 530 Q HA -0.124 4.215 4.340 -0.002 0.000 0.204 530 Q C 1.794 177.816 176.000 0.036 0.000 0.975 530 Q CA 1.728 57.548 55.803 0.029 0.000 0.866 530 Q CB -0.419 28.334 28.738 0.025 0.000 0.915 530 Q HN 0.854 nan 8.270 nan 0.000 0.440 531 E N 0.492 120.717 120.200 0.042 0.000 2.072 531 E HA -0.128 4.221 4.350 -0.002 0.000 0.190 531 E C 1.635 178.269 176.600 0.057 0.000 0.982 531 E CA 1.069 57.498 56.400 0.048 0.000 0.803 531 E CB -0.078 29.654 29.700 0.053 0.000 0.755 531 E HN 0.249 nan 8.360 nan 0.000 0.453 532 D N 0.321 120.759 120.400 0.064 0.000 2.117 532 D HA -0.155 4.483 4.640 -0.002 0.000 0.198 532 D C 1.863 178.192 176.300 0.049 0.000 0.982 532 D CA 0.958 54.987 54.000 0.049 0.000 0.828 532 D CB -0.142 40.691 40.800 0.054 0.000 0.967 532 D HN 0.254 nan 8.370 nan 0.000 0.464 533 E N 0.548 120.771 120.200 0.038 0.000 2.031 533 E HA -0.187 4.161 4.350 -0.002 0.000 0.193 533 E C 1.319 177.999 176.600 0.134 0.000 0.994 533 E CA 1.190 57.624 56.400 0.056 0.000 0.800 533 E CB 0.164 29.877 29.700 0.021 0.000 0.752 533 E HN 0.065 nan 8.360 nan 0.000 0.447 534 D N 0.477 120.929 120.400 0.087 0.000 2.123 534 D HA -0.172 4.467 4.640 -0.002 0.000 0.196 534 D C 1.610 177.955 176.300 0.076 0.000 0.992 534 D CA 1.436 55.481 54.000 0.076 0.000 0.833 534 D CB -0.432 40.397 40.800 0.048 0.000 0.954 534 D HN 0.252 nan 8.370 nan 0.000 0.455 535 D N -0.973 119.468 120.400 0.069 0.000 2.144 535 D HA -0.123 4.516 4.640 -0.002 0.000 0.200 535 D C 1.790 178.119 176.300 0.049 0.000 0.978 535 D CA 0.350 54.373 54.000 0.037 0.000 0.833 535 D CB -0.135 40.669 40.800 0.008 0.000 0.961 535 D HN 0.126 nan 8.370 nan 0.000 0.470 536 F N 0.891 120.808 119.950 -0.056 0.000 2.134 536 F HA -0.153 4.372 4.527 -0.002 0.000 0.299 536 F C 1.852 177.643 175.800 -0.015 0.000 1.097 536 F CA 1.229 59.198 58.000 -0.052 0.000 1.264 536 F CB -0.241 38.728 39.000 -0.051 0.000 1.001 536 F HN -0.082 nan 8.300 nan 0.000 0.479 537 N N 0.579 119.323 118.700 0.073 0.000 2.270 537 N HA -0.147 4.592 4.740 -0.002 0.000 0.181 537 N C 2.037 177.512 175.510 -0.058 0.000 1.016 537 N CA 0.955 53.994 53.050 -0.017 0.000 0.870 537 N CB -0.515 38.039 38.487 0.112 0.000 0.979 537 N HN 0.411 nan 8.380 nan 0.000 0.431 538 R N 0.964 121.448 120.500 -0.028 0.000 2.066 538 R HA -0.027 4.312 4.340 -0.002 0.000 0.232 538 R C 1.763 178.042 176.300 -0.036 0.000 1.131 538 R CA 1.072 57.161 56.100 -0.018 0.000 0.955 538 R CB -0.142 30.155 30.300 -0.005 0.000 0.851 538 R HN -0.051 nan 8.270 nan 0.000 0.432 539 V N 0.247 120.114 119.914 -0.078 0.000 2.427 539 V HA -0.275 3.844 4.120 -0.002 0.000 0.248 539 V C 2.474 178.537 176.094 -0.052 0.000 1.051 539 V CA 1.524 63.781 62.300 -0.072 0.000 1.048 539 V CB -0.401 31.348 31.823 -0.123 0.000 0.666 539 V HN 0.521 nan 8.190 nan 0.000 0.456 540 c N -0.049 118.442 118.600 -0.181 0.000 2.457 540 c HA -0.091 4.478 4.570 -0.002 0.000 0.278 540 c C 2.500 176.605 174.090 0.025 0.000 1.309 540 c CA 0.595 56.851 56.329 -0.121 0.000 1.735 540 c CB -0.900 41.388 42.510 -0.371 0.000 1.992 540 c HN 0.582 nan 8.230 nan 0.000 0.493 541 D N 0.730 121.127 120.400 -0.005 0.000 2.144 541 D HA -0.102 4.536 4.640 -0.002 0.000 0.200 541 D C 2.110 178.446 176.300 0.059 0.000 0.978 541 D CA 1.137 55.153 54.000 0.026 0.000 0.833 541 D CB -0.417 40.391 40.800 0.013 0.000 0.961 541 D HN 0.600 nan 8.370 nan 0.000 0.470 542 E N -0.328 119.919 120.200 0.077 0.000 2.107 542 E HA -0.114 4.235 4.350 -0.002 0.000 0.191 542 E C 1.939 178.653 176.600 0.191 0.000 0.982 542 E CA 0.289 56.755 56.400 0.109 0.000 0.809 542 E CB -0.048 29.707 29.700 0.092 0.000 0.756 542 E HN 0.429 nan 8.360 nan 0.000 0.459 543 W N 1.855 123.194 121.300 0.065 0.000 2.409 543 W HA -0.078 4.580 4.660 -0.002 0.000 0.299 543 W C 1.669 178.316 176.519 0.214 0.000 1.203 543 W CA 0.883 58.315 57.345 0.146 0.000 1.298 543 W CB -0.023 29.478 29.460 0.069 0.000 1.127 543 W HN -0.062 nan 8.180 nan 0.000 0.528 544 R N 0.292 120.819 120.500 0.045 0.000 2.148 544 R HA -0.099 4.239 4.340 -0.002 0.000 0.227 544 R C 2.407 178.684 176.300 -0.038 0.000 1.103 544 R CA 1.321 57.411 56.100 -0.018 0.000 0.983 544 R CB -0.491 29.845 30.300 0.059 0.000 0.874 544 R HN 0.131 nan 8.270 nan 0.000 0.451 545 A N -0.050 122.765 122.820 -0.010 0.000 1.970 545 A HA -0.161 4.158 4.320 -0.002 0.000 0.216 545 A C 1.845 179.393 177.584 -0.059 0.000 1.170 545 A CA 0.739 52.767 52.037 -0.015 0.000 0.645 545 A CB -0.406 18.608 19.000 0.023 0.000 0.816 545 A HN 0.414 nan 8.150 nan 0.000 0.447 546 Y N -1.236 118.980 120.300 -0.140 0.000 2.206 546 Y HA -0.158 4.391 4.550 -0.002 0.000 0.292 546 Y C 2.236 177.988 175.900 -0.247 0.000 1.123 546 Y CA 1.258 59.250 58.100 -0.180 0.000 1.142 546 Y CB -0.541 37.823 38.460 -0.160 0.000 1.006 546 Y HN 0.510 nan 8.280 nan 0.000 0.518 547 W N 2.343 123.135 121.300 -0.846 0.000 2.290 547 W HA -0.241 4.418 4.660 -0.002 0.000 0.318 547 W C -1.001 175.213 176.519 -0.508 0.000 1.248 547 W CA 2.215 59.104 57.345 -0.759 0.000 1.263 547 W CB -1.490 27.602 29.460 -0.613 0.000 1.147 547 W HN 0.202 nan 8.180 nan 0.000 0.494 548 P HA -0.121 nan 4.420 nan 0.000 0.226 548 P C 1.536 178.531 177.300 -0.509 0.000 1.153 548 P CA 2.574 65.396 63.100 -0.464 0.000 0.777 548 P CB -0.431 31.129 31.700 -0.234 0.000 0.794 549 T N -5.486 108.701 114.554 -0.611 0.000 3.100 549 T HA 0.052 4.401 4.350 -0.002 0.000 0.253 549 T C 0.835 175.188 174.700 -0.578 0.000 1.118 549 T CA -0.207 61.579 62.100 -0.523 0.000 1.058 549 T CB -0.965 67.649 68.868 -0.424 0.000 0.953 549 T HN -0.109 nan 8.240 nan 0.000 0.515 550 N N 3.573 121.793 118.700 -0.800 0.000 2.452 550 N HA 0.195 4.934 4.740 -0.002 0.000 0.266 550 N C -1.297 173.935 175.510 -0.462 0.000 1.175 550 N CA -1.632 51.076 53.050 -0.570 0.000 0.945 550 N CB 1.168 39.256 38.487 -0.665 0.000 1.063 550 N HN 0.145 nan 8.380 nan 0.000 0.472 551 P HA 0.010 nan 4.420 nan 0.000 0.245 551 P C -0.992 176.079 177.300 -0.383 0.000 1.212 551 P CA 0.609 63.454 63.100 -0.426 0.000 0.774 551 P CB 0.125 31.513 31.700 -0.520 0.000 0.999 552 Y N 1.238 121.503 120.300 -0.058 0.000 2.485 552 Y HA 0.498 5.046 4.550 -0.002 0.000 0.345 552 Y C -2.027 173.912 175.900 0.064 0.000 0.998 552 Y CA -3.453 54.671 58.100 0.040 0.000 1.059 552 Y CB 1.167 39.714 38.460 0.145 0.000 1.234 552 Y HN -0.130 nan 8.280 nan 0.000 0.461 553 P HA 0.279 nan 4.420 nan 0.000 0.283 553 P C -1.333 176.255 177.300 0.481 0.000 1.278 553 P CA -0.952 62.360 63.100 0.353 0.000 0.834 553 P CB 1.708 33.545 31.700 0.229 0.000 1.150 554 K N 1.442 122.143 120.400 0.502 0.000 2.284 554 K HA 0.262 4.580 4.320 -0.002 0.000 0.287 554 K C 0.634 177.307 176.600 0.122 0.000 1.081 554 K CA -0.315 56.133 56.287 0.270 0.000 0.910 554 K CB -0.345 32.095 32.500 -0.101 0.000 1.088 554 K HN 0.311 nan 8.250 nan 0.000 0.478 555 I N 2.051 122.700 120.570 0.130 0.000 3.793 555 I HA 0.056 4.225 4.170 -0.002 0.000 0.315 555 I C 0.242 176.396 176.117 0.062 0.000 1.275 555 I CA -0.270 61.094 61.300 0.107 0.000 1.214 555 I CB -0.370 37.722 38.000 0.153 0.000 1.018 555 I HN 0.638 nan 8.210 nan 0.000 0.439 556 D N -0.706 119.698 120.400 0.007 0.000 2.958 556 D HA 0.103 4.742 4.640 -0.002 0.000 0.306 556 D C 1.022 177.256 176.300 -0.109 0.000 1.226 556 D CA 0.088 54.083 54.000 -0.008 0.000 1.032 556 D CB 0.304 41.140 40.800 0.060 0.000 1.400 556 D HN -0.119 nan 8.370 nan 0.000 0.587 557 S N -1.671 113.981 115.700 -0.079 0.000 2.442 557 S HA 0.150 4.618 4.470 -0.002 0.000 0.236 557 S C 1.885 176.334 174.600 -0.252 0.000 1.007 557 S CA 1.457 59.574 58.200 -0.139 0.000 0.965 557 S CB -1.003 62.151 63.200 -0.076 0.000 0.773 557 S HN 1.714 nan 8.310 nan 0.000 0.504 558 G N 0.285 108.951 108.800 -0.224 0.000 2.175 558 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.244 558 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.244 558 G C -0.037 174.938 174.900 0.126 0.000 0.982 558 G CA 0.397 45.370 45.100 -0.213 0.000 0.641 558 G HN 0.546 nan 8.290 nan 0.000 0.527 559 L N 0.000 121.244 121.223 0.036 0.000 2.949 559 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 559 L CA 0.000 54.886 54.840 0.076 0.000 0.813 559 L CB 0.000 41.986 42.059 -0.121 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502