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 3fu7_1_B 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 0.000 176.362 176.600 -0.397 0.000 1.382 1 E CA 0.000 56.330 56.400 -0.116 0.000 0.976 1 E CB 0.000 29.634 29.700 -0.110 0.000 0.812 2 P HA 0.183 nan 4.420 nan 0.000 0.274 2 P C 0.128 177.063 177.300 -0.608 0.000 1.231 2 P CA -0.172 62.147 63.100 -1.302 0.000 0.790 2 P CB 1.231 31.899 31.700 -1.720 0.000 0.951 3 T N -3.542 110.733 114.554 -0.464 0.000 3.016 3 T HA 0.123 4.476 4.350 0.004 0.000 0.271 3 T C 0.877 175.471 174.700 -0.178 0.000 0.968 3 T CA 0.269 62.219 62.100 -0.250 0.000 0.891 3 T CB -0.899 67.870 68.868 -0.165 0.000 1.149 3 T HN 0.613 nan 8.240 nan 0.000 0.524 4 C N 0.223 119.414 119.300 -0.183 0.000 3.613 4 C HA 0.480 4.943 4.460 0.004 0.000 0.277 4 C C 0.132 175.084 174.990 -0.064 0.000 2.235 4 C CA -1.383 57.580 59.018 -0.092 0.000 1.657 4 C CB -1.743 25.972 27.740 -0.042 0.000 3.412 4 C HN 0.482 nan 8.230 nan 0.000 0.432 5 N N 2.994 121.630 118.700 -0.106 0.000 2.437 5 N HA 0.404 5.147 4.740 0.004 0.000 0.243 5 N C -0.273 175.205 175.510 -0.053 0.000 1.041 5 N CA 0.882 53.919 53.050 -0.022 0.000 0.940 5 N CB 1.158 39.673 38.487 0.046 0.000 1.133 5 N HN 0.776 nan 8.380 nan 0.000 0.506 6 T N 1.015 115.534 114.554 -0.058 0.000 2.916 6 T HA 0.428 4.780 4.350 0.004 0.000 0.292 6 T C -2.137 172.484 174.700 -0.133 0.000 1.064 6 T CA -1.676 60.374 62.100 -0.082 0.000 1.011 6 T CB 1.991 70.821 68.868 -0.063 0.000 1.152 6 T HN 0.073 nan 8.240 nan 0.000 0.510 7 P HA -0.153 nan 4.420 nan 0.000 0.216 7 P C 1.705 178.917 177.300 -0.147 0.000 1.154 7 P CA 1.722 64.706 63.100 -0.193 0.000 0.865 7 P CB -0.072 31.555 31.700 -0.123 0.000 0.789 8 S N -3.257 112.391 115.700 -0.086 0.000 2.527 8 S HA 0.023 4.496 4.470 0.004 0.000 0.222 8 S C 1.002 175.578 174.600 -0.041 0.000 0.985 8 S CA 0.334 58.502 58.200 -0.052 0.000 0.921 8 S CB -0.627 62.553 63.200 -0.033 0.000 0.772 8 S HN 0.009 nan 8.310 nan 0.000 0.529 9 N N 0.834 119.503 118.700 -0.050 0.000 2.750 9 N HA 0.324 5.067 4.740 0.004 0.000 0.253 9 N C 0.218 175.716 175.510 -0.019 0.000 1.408 9 N CA -0.395 52.643 53.050 -0.019 0.000 0.780 9 N CB 0.581 39.066 38.487 -0.003 0.000 1.191 9 N HN -0.012 nan 8.380 nan 0.000 0.511 10 R N 0.522 120.999 120.500 -0.038 0.000 2.240 10 R HA 0.192 4.534 4.340 0.004 0.000 0.203 10 R C 1.436 177.784 176.300 0.080 0.000 1.011 10 R CA 0.567 56.653 56.100 -0.023 0.000 1.007 10 R CB -0.326 29.905 30.300 -0.115 0.000 0.911 10 R HN 0.469 nan 8.270 nan 0.000 0.468 11 A N 0.521 123.389 122.820 0.081 0.000 2.015 11 A HA -0.077 4.246 4.320 0.004 0.000 0.219 11 A C 1.058 178.731 177.584 0.148 0.000 1.163 11 A CA 0.649 52.751 52.037 0.109 0.000 0.646 11 A CB -0.201 18.854 19.000 0.093 0.000 0.806 11 A HN 0.267 nan 8.150 nan 0.000 0.448 12 C N -2.185 117.203 119.300 0.148 0.000 2.398 12 C HA 0.398 4.861 4.460 0.004 0.000 0.364 12 C C 1.160 176.335 174.990 0.309 0.000 1.219 12 C CA -0.679 58.451 59.018 0.187 0.000 2.312 12 C CB 0.472 28.276 27.740 0.107 0.000 2.428 12 C HN 0.736 nan 8.230 nan 0.000 0.564 13 W N 0.725 122.083 121.300 0.098 0.000 4.366 13 W HA 0.247 4.909 4.660 0.005 0.000 0.201 13 W C 0.457 177.027 176.519 0.084 0.000 0.994 13 W CA 0.650 58.059 57.345 0.106 0.000 2.324 13 W CB -0.331 29.256 29.460 0.212 0.000 1.011 13 W HN 0.744 nan 8.180 nan 0.000 0.846 14 S N 0.469 116.285 115.700 0.192 0.000 2.643 14 S HA 0.241 4.714 4.470 0.004 0.000 0.270 14 S C -1.415 173.294 174.600 0.181 0.000 1.166 14 S CA -0.730 57.504 58.200 0.057 0.000 0.815 14 S CB 1.702 64.882 63.200 -0.034 0.000 1.139 14 S HN 0.040 nan 8.310 nan 0.000 0.472 15 D N 1.128 121.599 120.400 0.118 0.000 2.502 15 D HA 0.403 5.046 4.640 0.004 0.000 0.249 15 D C 1.454 177.810 176.300 0.094 0.000 1.188 15 D CA 2.236 56.290 54.000 0.090 0.000 0.890 15 D CB -0.005 40.825 40.800 0.050 0.000 1.140 15 D HN 1.352 nan 8.370 nan 0.000 0.505 16 G N 1.790 110.559 108.800 -0.051 0.000 2.176 16 G HA2 -0.271 3.692 3.960 0.004 0.000 0.253 16 G HA3 -0.271 3.692 3.960 0.004 0.000 0.253 16 G C 0.006 174.500 174.900 -0.675 0.000 0.979 16 G CA -0.343 44.546 45.100 -0.352 0.000 0.641 16 G HN 0.409 nan 8.290 nan 0.000 0.530 17 F N 1.599 121.600 119.950 0.084 0.000 2.539 17 F HA 0.598 5.128 4.527 0.005 0.000 0.328 17 F C -0.032 175.964 175.800 0.326 0.000 1.148 17 F CA -0.469 57.626 58.000 0.158 0.000 0.940 17 F CB 2.073 41.025 39.000 -0.080 0.000 1.194 17 F HN 0.281 nan 8.300 nan 0.000 0.438 18 D N 1.174 121.873 120.400 0.499 0.000 2.759 18 D HA 0.248 4.891 4.640 0.004 0.000 0.321 18 D C 0.458 176.949 176.300 0.320 0.000 1.267 18 D CA -0.663 53.562 54.000 0.376 0.000 0.933 18 D CB 0.498 41.440 40.800 0.235 0.000 1.431 18 D HN 0.230 nan 8.370 nan 0.000 0.504 19 I N 0.123 120.819 120.570 0.210 0.000 2.530 19 I HA -0.143 4.029 4.170 0.004 0.000 0.257 19 I C 0.852 177.114 176.117 0.241 0.000 1.179 19 I CA 1.391 62.812 61.300 0.201 0.000 1.440 19 I CB -0.566 37.528 38.000 0.157 0.000 1.087 19 I HN 0.333 nan 8.210 nan 0.000 0.440 20 N N -0.613 118.214 118.700 0.211 0.000 2.373 20 N HA 0.050 4.793 4.740 0.004 0.000 0.181 20 N C 0.404 176.024 175.510 0.184 0.000 1.082 20 N CA 0.237 53.391 53.050 0.173 0.000 0.885 20 N CB -0.100 38.460 38.487 0.121 0.000 0.977 20 N HN 0.272 nan 8.380 nan 0.000 0.462 21 T N 1.744 116.454 114.554 0.260 0.000 2.934 21 T HA -0.075 4.278 4.350 0.004 0.000 0.306 21 T C 0.198 175.061 174.700 0.271 0.000 1.042 21 T CA 0.198 62.465 62.100 0.278 0.000 1.145 21 T CB 0.806 69.961 68.868 0.480 0.000 0.982 21 T HN 0.005 nan 8.240 nan 0.000 0.544 22 D N 2.543 123.026 120.400 0.139 0.000 2.416 22 D HA 0.027 4.669 4.640 0.004 0.000 0.240 22 D C 1.014 177.359 176.300 0.075 0.000 1.250 22 D CA -0.556 53.436 54.000 -0.013 0.000 0.967 22 D CB 0.074 40.853 40.800 -0.036 0.000 1.059 22 D HN 0.665 nan 8.370 nan 0.000 0.512 23 Y N 1.570 122.056 120.300 0.309 0.000 2.574 23 Y HA 0.083 4.636 4.550 0.004 0.000 0.294 23 Y C 1.488 177.554 175.900 0.278 0.000 1.142 23 Y CA 0.405 58.762 58.100 0.428 0.000 1.314 23 Y CB -0.421 38.197 38.460 0.264 0.000 0.991 23 Y HN 0.286 nan 8.280 nan 0.000 0.555 24 E N 0.533 120.668 120.200 -0.108 0.000 2.358 24 E HA -0.045 4.308 4.350 0.004 0.000 0.195 24 E C 1.609 178.258 176.600 0.081 0.000 1.010 24 E CA 1.319 57.737 56.400 0.029 0.000 0.856 24 E CB 0.170 29.803 29.700 -0.111 0.000 0.795 24 E HN 0.608 nan 8.360 nan 0.000 0.504 25 V N -3.974 115.995 119.914 0.092 0.000 3.485 25 V HA 0.277 4.400 4.120 0.004 0.000 0.280 25 V C 0.386 176.569 176.094 0.148 0.000 1.495 25 V CA -0.451 61.907 62.300 0.097 0.000 1.018 25 V CB 1.410 33.262 31.823 0.049 0.000 0.818 25 V HN -0.073 nan 8.190 nan 0.000 0.436 26 S N 0.580 116.422 115.700 0.236 0.000 2.561 26 S HA 0.769 5.241 4.470 0.004 0.000 0.303 26 S C -0.506 174.366 174.600 0.454 0.000 1.110 26 S CA -0.030 58.352 58.200 0.302 0.000 1.034 26 S CB 1.660 65.008 63.200 0.247 0.000 1.010 26 S HN 0.592 nan 8.310 nan 0.000 0.482 27 T N 5.960 120.698 114.554 0.306 0.000 2.916 27 T HA 0.506 4.859 4.350 0.004 0.000 0.298 27 T C -2.937 171.532 174.700 -0.385 0.000 1.031 27 T CA -1.182 60.916 62.100 -0.004 0.000 0.993 27 T CB 1.739 70.650 68.868 0.071 0.000 1.045 27 T HN 0.302 nan 8.240 nan 0.000 0.454 28 P HA 0.079 nan 4.420 nan 0.000 0.264 28 P C -0.521 176.499 177.300 -0.466 0.000 1.193 28 P CA -0.118 62.259 63.100 -1.204 0.000 0.763 28 P CB 0.397 31.319 31.700 -1.297 0.000 0.810 29 D N 2.805 123.050 120.400 -0.260 0.000 2.468 29 D HA 0.033 4.676 4.640 0.004 0.000 0.218 29 D C 0.899 177.125 176.300 -0.123 0.000 1.155 29 D CA 0.022 53.942 54.000 -0.135 0.000 0.924 29 D CB 0.534 41.299 40.800 -0.059 0.000 1.029 29 D HN 0.309 nan 8.370 nan 0.000 0.515 30 T N 0.087 114.568 114.554 -0.122 0.000 3.044 30 T HA 0.162 4.515 4.350 0.004 0.000 0.255 30 T C 1.644 176.303 174.700 -0.068 0.000 1.073 30 T CA 0.818 62.863 62.100 -0.092 0.000 1.125 30 T CB 0.020 68.846 68.868 -0.071 0.000 0.908 30 T HN 0.476 nan 8.240 nan 0.000 0.480 31 G N 0.857 109.618 108.800 -0.066 0.000 2.166 31 G HA2 -0.224 3.739 3.960 0.004 0.000 0.260 31 G HA3 -0.224 3.739 3.960 0.004 0.000 0.260 31 G C 0.088 174.951 174.900 -0.062 0.000 0.986 31 G CA 0.297 45.362 45.100 -0.058 0.000 0.683 31 G HN 0.766 nan 8.290 nan 0.000 0.527 32 V N 0.624 120.500 119.914 -0.064 0.000 2.532 32 V HA 0.696 4.818 4.120 0.004 0.000 0.295 32 V C 0.495 176.536 176.094 -0.089 0.000 1.041 32 V CA -0.015 62.245 62.300 -0.067 0.000 0.926 32 V CB 1.887 33.679 31.823 -0.051 0.000 0.992 32 V HN 0.256 nan 8.190 nan 0.000 0.457 33 T N 4.492 118.984 114.554 -0.104 0.000 2.792 33 T HA 0.399 4.752 4.350 0.004 0.000 0.280 33 T C -0.646 173.963 174.700 -0.151 0.000 0.990 33 T CA -0.559 61.456 62.100 -0.141 0.000 0.960 33 T CB 1.296 70.078 68.868 -0.142 0.000 0.939 33 T HN 0.530 nan 8.240 nan 0.000 0.439 34 Q N 2.466 122.162 119.800 -0.174 0.000 2.340 34 Q HA 0.493 4.836 4.340 0.004 0.000 0.259 34 Q C -0.145 175.689 176.000 -0.276 0.000 0.964 34 Q CA -0.440 55.240 55.803 -0.204 0.000 0.900 34 Q CB 1.771 30.451 28.738 -0.096 0.000 1.228 34 Q HN 0.827 nan 8.270 nan 0.000 0.449 35 S N 2.280 117.745 115.700 -0.392 0.000 2.578 35 S HA 0.830 5.303 4.470 0.004 0.000 0.301 35 S C -0.937 173.321 174.600 -0.569 0.000 1.091 35 S CA -0.430 57.569 58.200 -0.335 0.000 1.032 35 S CB 1.198 64.270 63.200 -0.213 0.000 1.064 35 S HN 0.434 nan 8.310 nan 0.000 0.508 36 Y N -0.625 119.605 120.300 -0.117 0.000 2.571 36 Y HA 0.597 5.150 4.550 0.004 0.000 0.341 36 Y C -0.801 175.065 175.900 -0.057 0.000 1.076 36 Y CA -1.103 56.970 58.100 -0.045 0.000 1.029 36 Y CB 2.133 40.573 38.460 -0.034 0.000 1.308 36 Y HN 0.618 nan 8.280 nan 0.000 0.461 37 V N 2.993 123.044 119.914 0.229 0.000 2.495 37 V HA 0.421 4.543 4.120 0.004 0.000 0.298 37 V C -1.174 175.184 176.094 0.440 0.000 1.031 37 V CA -0.825 61.596 62.300 0.202 0.000 0.871 37 V CB 1.430 33.334 31.823 0.136 0.000 0.988 37 V HN 0.457 nan 8.190 nan 0.000 0.432 38 F N 3.698 123.726 119.950 0.129 0.000 2.332 38 F HA 0.448 4.978 4.527 0.004 0.000 0.368 38 F C 0.388 176.240 175.800 0.086 0.000 1.110 38 F CA -1.527 56.539 58.000 0.110 0.000 1.087 38 F CB 1.138 40.200 39.000 0.104 0.000 1.235 38 F HN 0.482 nan 8.300 nan 0.000 0.470 39 N N 4.360 123.198 118.700 0.229 0.000 2.485 39 N HA 0.269 5.012 4.740 0.004 0.000 0.243 39 N C -1.281 174.281 175.510 0.087 0.000 0.987 39 N CA -0.351 52.781 53.050 0.136 0.000 0.940 39 N CB 0.556 39.108 38.487 0.107 0.000 1.122 39 N HN 0.331 nan 8.380 nan 0.000 0.509 40 L N 2.784 124.052 121.223 0.075 0.000 2.281 40 L HA 0.390 4.732 4.340 0.004 0.000 0.285 40 L C 0.805 177.684 176.870 0.016 0.000 1.074 40 L CA -0.042 54.818 54.840 0.033 0.000 0.817 40 L CB 0.988 43.063 42.059 0.026 0.000 1.168 40 L HN 0.615 nan 8.230 nan 0.000 0.434 41 T N -0.402 114.153 114.554 0.002 0.000 2.924 41 T HA 0.602 4.955 4.350 0.004 0.000 0.291 41 T C -0.470 174.223 174.700 -0.012 0.000 1.045 41 T CA -0.925 61.177 62.100 0.004 0.000 1.015 41 T CB 1.748 70.626 68.868 0.016 0.000 1.103 41 T HN 0.478 nan 8.240 nan 0.000 0.496 42 E N 0.963 121.165 120.200 0.004 0.000 2.134 42 E HA 0.562 4.915 4.350 0.004 0.000 0.278 42 E C -1.396 175.214 176.600 0.016 0.000 0.959 42 E CA -0.839 55.565 56.400 0.007 0.000 0.783 42 E CB 1.116 30.834 29.700 0.030 0.000 1.095 42 E HN 0.545 nan 8.360 nan 0.000 0.399 43 V N 5.036 124.951 119.914 0.000 0.000 2.444 43 V HA 0.260 4.383 4.120 0.004 0.000 0.294 43 V C -0.557 175.584 176.094 0.079 0.000 1.022 43 V CA -1.012 61.313 62.300 0.041 0.000 0.850 43 V CB 1.678 33.518 31.823 0.029 0.000 0.992 43 V HN 0.703 nan 8.190 nan 0.000 0.426 44 D N 3.828 124.288 120.400 0.101 0.000 2.225 44 D HA 0.294 4.937 4.640 0.004 0.000 0.249 44 D C 0.327 176.714 176.300 0.145 0.000 1.052 44 D CA -0.214 53.851 54.000 0.109 0.000 0.909 44 D CB 0.839 41.688 40.800 0.082 0.000 1.186 44 D HN 0.596 nan 8.370 nan 0.000 0.431 45 N N 0.871 119.657 118.700 0.144 0.000 2.688 45 N HA -0.241 4.502 4.740 0.004 0.000 0.258 45 N C -0.932 174.692 175.510 0.190 0.000 1.016 45 N CA 0.371 53.502 53.050 0.135 0.000 0.747 45 N CB -1.179 37.356 38.487 0.079 0.000 0.895 45 N HN 0.540 nan 8.380 nan 0.000 0.543 46 W N 1.475 122.797 121.300 0.036 0.000 2.322 46 W HA 0.468 5.130 4.660 0.003 0.000 0.307 46 W C 0.559 177.106 176.519 0.046 0.000 1.220 46 W CA -1.026 56.346 57.345 0.045 0.000 1.210 46 W CB 0.488 29.986 29.460 0.064 0.000 1.223 46 W HN 0.206 nan 8.180 nan 0.000 0.511 47 M N 7.186 126.510 119.600 -0.459 0.000 2.194 47 M HA 0.379 4.862 4.480 0.004 0.000 0.347 47 M C 0.303 175.938 176.300 -1.108 0.000 1.439 47 M CA 0.391 55.363 55.300 -0.547 0.000 1.131 47 M CB -0.016 32.354 32.600 -0.383 0.000 1.733 47 M HN 0.481 nan 8.290 nan 0.000 0.467 48 G N 5.411 113.797 108.800 -0.690 0.000 2.547 48 G HA2 0.496 4.458 3.960 0.004 0.000 0.291 48 G HA3 0.496 4.458 3.960 0.004 0.000 0.291 48 G C -1.925 172.747 174.900 -0.380 0.000 1.211 48 G CA -1.110 43.596 45.100 -0.655 0.000 0.950 48 G HN 0.673 nan 8.290 nan 0.000 0.504 49 P HA -0.037 nan 4.420 nan 0.000 0.226 49 P C 0.534 177.734 177.300 -0.166 0.000 1.153 49 P CA 1.129 64.098 63.100 -0.218 0.000 0.777 49 P CB 0.240 31.814 31.700 -0.211 0.000 0.794 50 D N -1.515 118.820 120.400 -0.108 0.000 2.388 50 D HA 0.157 4.799 4.640 0.004 0.000 0.221 50 D C 1.342 177.618 176.300 -0.039 0.000 1.133 50 D CA 0.058 54.030 54.000 -0.047 0.000 0.831 50 D CB -0.610 40.215 40.800 0.041 0.000 0.962 50 D HN 0.211 nan 8.370 nan 0.000 0.502 51 G N -0.545 108.204 108.800 -0.085 0.000 2.195 51 G HA2 -0.249 3.714 3.960 0.004 0.000 0.246 51 G HA3 -0.249 3.714 3.960 0.004 0.000 0.246 51 G C 0.101 174.931 174.900 -0.117 0.000 0.984 51 G CA 0.201 45.240 45.100 -0.101 0.000 0.633 51 G HN 0.376 nan 8.290 nan 0.000 0.525 52 V N 1.395 121.239 119.914 -0.118 0.000 2.509 52 V HA 0.539 4.661 4.120 0.004 0.000 0.284 52 V C 0.895 176.896 176.094 -0.154 0.000 1.047 52 V CA -0.678 61.485 62.300 -0.229 0.000 0.952 52 V CB 1.836 33.306 31.823 -0.590 0.000 0.988 52 V HN 0.227 nan 8.190 nan 0.000 0.469 53 V N 5.932 125.760 119.914 -0.142 0.000 2.432 53 V HA 0.243 4.366 4.120 0.004 0.000 0.271 53 V C 0.423 176.521 176.094 0.006 0.000 1.046 53 V CA -0.557 61.711 62.300 -0.053 0.000 0.945 53 V CB 0.864 32.660 31.823 -0.044 0.000 0.992 53 V HN 0.786 nan 8.190 nan 0.000 0.471 54 K N 3.536 124.028 120.400 0.154 0.000 2.172 54 K HA 0.230 4.552 4.320 0.004 0.000 0.276 54 K C 1.172 177.869 176.600 0.163 0.000 1.013 54 K CA -0.368 56.032 56.287 0.189 0.000 0.913 54 K CB 1.635 34.333 32.500 0.329 0.000 1.055 54 K HN 0.758 nan 8.250 nan 0.000 0.461 55 E N 2.758 123.022 120.200 0.107 0.000 2.065 55 E HA -0.235 4.118 4.350 0.004 0.000 0.201 55 E C -0.172 176.486 176.600 0.097 0.000 1.016 55 E CA 1.656 58.107 56.400 0.085 0.000 0.818 55 E CB 0.318 30.052 29.700 0.058 0.000 0.749 55 E HN 0.359 nan 8.360 nan 0.000 0.453 56 K N -0.332 120.127 120.400 0.097 0.000 2.561 56 K HA 0.270 4.593 4.320 0.004 0.000 0.254 56 K C -1.305 175.318 176.600 0.039 0.000 0.942 56 K CA -0.514 55.816 56.287 0.072 0.000 0.818 56 K CB 2.040 34.572 32.500 0.054 0.000 1.306 56 K HN 0.052 nan 8.250 nan 0.000 0.435 57 V N 0.230 120.126 119.914 -0.030 0.000 3.074 57 V HA 0.702 4.825 4.120 0.004 0.000 0.314 57 V C -0.762 175.249 176.094 -0.139 0.000 1.117 57 V CA -1.126 61.084 62.300 -0.149 0.000 1.014 57 V CB 2.051 33.600 31.823 -0.458 0.000 1.057 57 V HN 0.811 nan 8.190 nan 0.000 0.438 58 M N 3.078 122.596 119.600 -0.137 0.000 2.093 58 M HA 0.610 5.092 4.480 0.004 0.000 0.297 58 M C -1.391 174.838 176.300 -0.118 0.000 0.938 58 M CA -0.124 55.123 55.300 -0.088 0.000 0.920 58 M CB 1.787 34.374 32.600 -0.021 0.000 1.517 58 M HN 0.550 nan 8.290 nan 0.000 0.427 59 L N 3.923 125.070 121.223 -0.127 0.000 2.342 59 L HA 0.690 5.033 4.340 0.004 0.000 0.271 59 L C -0.604 176.222 176.870 -0.073 0.000 1.008 59 L CA -1.013 53.746 54.840 -0.134 0.000 0.818 59 L CB 2.390 44.342 42.059 -0.178 0.000 1.296 59 L HN 0.648 nan 8.230 nan 0.000 0.427 60 I N 2.841 123.361 120.570 -0.084 0.000 2.315 60 I HA 0.205 4.378 4.170 0.004 0.000 0.291 60 I C 0.005 176.096 176.117 -0.044 0.000 1.006 60 I CA -0.351 60.894 61.300 -0.091 0.000 1.265 60 I CB 0.757 38.604 38.000 -0.255 0.000 1.387 60 I HN 0.669 nan 8.210 nan 0.000 0.475 61 N N 5.026 123.734 118.700 0.014 0.000 2.708 61 N HA -0.214 4.529 4.740 0.004 0.000 0.249 61 N C 0.935 176.474 175.510 0.048 0.000 1.097 61 N CA 1.322 54.402 53.050 0.050 0.000 0.710 61 N CB -1.304 37.228 38.487 0.075 0.000 1.032 61 N HN 1.151 nan 8.380 nan 0.000 0.551 62 G N -1.942 106.879 108.800 0.035 0.000 2.162 62 G HA2 -0.348 3.615 3.960 0.004 0.000 0.260 62 G HA3 -0.348 3.615 3.960 0.004 0.000 0.260 62 G C -0.015 174.940 174.900 0.091 0.000 0.976 62 G CA 0.521 45.658 45.100 0.060 0.000 0.655 62 G HN 0.566 nan 8.290 nan 0.000 0.533 63 N N -0.800 117.935 118.700 0.057 0.000 2.402 63 N HA 0.501 5.244 4.740 0.004 0.000 0.294 63 N C 1.276 176.815 175.510 0.048 0.000 1.203 63 N CA -0.366 52.740 53.050 0.093 0.000 0.838 63 N CB 1.552 40.083 38.487 0.073 0.000 1.306 63 N HN 0.028 nan 8.380 nan 0.000 0.510 64 I N -0.073 120.576 120.570 0.131 0.000 2.335 64 I HA -0.100 4.072 4.170 0.004 0.000 0.251 64 I C 0.188 176.300 176.117 -0.009 0.000 1.129 64 I CA 1.413 62.758 61.300 0.075 0.000 1.402 64 I CB 0.231 38.373 38.000 0.238 0.000 1.069 64 I HN 0.396 nan 8.210 nan 0.000 0.424 65 M N -0.951 118.646 119.600 -0.006 0.000 2.644 65 M HA 0.396 4.879 4.480 0.004 0.000 0.304 65 M C 0.287 176.555 176.300 -0.054 0.000 1.215 65 M CA -0.542 54.730 55.300 -0.047 0.000 0.871 65 M CB 1.811 34.377 32.600 -0.056 0.000 1.740 65 M HN 0.004 nan 8.290 nan 0.000 0.464 66 G N 1.041 109.784 108.800 -0.096 0.000 2.611 66 G HA2 0.432 4.394 3.960 0.004 0.000 0.273 66 G HA3 0.432 4.394 3.960 0.004 0.000 0.273 66 G C -2.795 172.109 174.900 0.007 0.000 1.305 66 G CA -1.025 43.997 45.100 -0.130 0.000 1.010 66 G HN 0.325 nan 8.290 nan 0.000 0.509 67 P HA -0.004 nan 4.420 nan 0.000 0.265 67 P C -0.491 176.922 177.300 0.188 0.000 1.187 67 P CA 0.274 63.474 63.100 0.166 0.000 0.766 67 P CB 0.259 32.126 31.700 0.279 0.000 0.820 68 N N 2.550 121.342 118.700 0.153 0.000 2.421 68 N HA 0.141 4.884 4.740 0.004 0.000 0.260 68 N C -0.004 175.582 175.510 0.127 0.000 1.173 68 N CA -0.255 52.882 53.050 0.145 0.000 0.960 68 N CB -0.359 38.198 38.487 0.117 0.000 1.273 68 N HN 0.403 nan 8.380 nan 0.000 0.497 69 I N 2.577 123.195 120.570 0.080 0.000 2.598 69 I HA -0.003 4.170 4.170 0.004 0.000 0.284 69 I C -0.177 176.026 176.117 0.144 0.000 1.140 69 I CA 0.034 61.282 61.300 -0.086 0.000 1.420 69 I CB 0.348 38.302 38.000 -0.076 0.000 1.387 69 I HN 0.163 nan 8.210 nan 0.000 0.553 70 V N 6.256 126.316 119.914 0.244 0.000 2.623 70 V HA 0.864 4.986 4.120 0.004 0.000 0.304 70 V C -0.132 176.077 176.094 0.192 0.000 1.054 70 V CA -0.465 61.957 62.300 0.203 0.000 0.882 70 V CB 1.483 33.415 31.823 0.181 0.000 1.002 70 V HN 0.891 nan 8.190 nan 0.000 0.424 71 A N 3.973 126.883 122.820 0.150 0.000 2.588 71 A HA 0.828 5.151 4.320 0.004 0.000 0.290 71 A C -1.297 176.378 177.584 0.152 0.000 1.136 71 A CA -0.798 51.310 52.037 0.118 0.000 0.681 71 A CB 1.659 20.693 19.000 0.056 0.000 1.282 71 A HN 0.634 nan 8.150 nan 0.000 0.421 72 N N -0.069 118.732 118.700 0.170 0.000 2.492 72 N HA 0.269 5.012 4.740 0.004 0.000 0.289 72 N C -0.679 174.989 175.510 0.263 0.000 1.133 72 N CA -0.231 52.983 53.050 0.272 0.000 0.961 72 N CB 0.761 39.465 38.487 0.363 0.000 1.186 72 N HN 0.708 nan 8.380 nan 0.000 0.493 73 W N 1.693 122.991 121.300 -0.004 0.000 2.549 73 W HA 0.135 4.798 4.660 0.004 0.000 0.343 73 W C 1.186 177.689 176.519 -0.026 0.000 1.278 73 W CA 1.180 58.483 57.345 -0.070 0.000 1.277 73 W CB -0.994 28.262 29.460 -0.340 0.000 1.249 73 W HN 0.832 nan 8.180 nan 0.000 0.572 74 G N 3.341 112.243 108.800 0.170 0.000 2.213 74 G HA2 -0.283 3.680 3.960 0.004 0.000 0.236 74 G HA3 -0.283 3.680 3.960 0.004 0.000 0.236 74 G C 0.295 175.179 174.900 -0.027 0.000 0.991 74 G CA -0.002 45.061 45.100 -0.061 0.000 0.629 74 G HN 0.531 nan 8.290 nan 0.000 0.517 75 D N 1.000 121.409 120.400 0.015 0.000 2.354 75 D HA 0.483 5.126 4.640 0.004 0.000 0.238 75 D C 0.668 176.918 176.300 -0.084 0.000 1.250 75 D CA 0.892 54.872 54.000 -0.033 0.000 0.911 75 D CB 0.522 41.310 40.800 -0.020 0.000 1.163 75 D HN 0.122 nan 8.370 nan 0.000 0.456 76 T N 0.300 114.763 114.554 -0.152 0.000 2.824 76 T HA 0.466 4.819 4.350 0.004 0.000 0.280 76 T C -0.314 174.147 174.700 -0.398 0.000 0.995 76 T CA -0.644 61.303 62.100 -0.255 0.000 1.009 76 T CB 1.325 70.070 68.868 -0.205 0.000 0.955 76 T HN -0.040 nan 8.240 nan 0.000 0.452 77 V N 3.153 122.619 119.914 -0.748 0.000 2.459 77 V HA 0.519 4.641 4.120 0.004 0.000 0.295 77 V C -0.046 175.519 176.094 -0.882 0.000 1.029 77 V CA -0.682 61.070 62.300 -0.913 0.000 0.874 77 V CB 1.596 32.421 31.823 -1.664 0.000 0.985 77 V HN 0.882 nan 8.190 nan 0.000 0.438 78 E N 3.615 123.516 120.200 -0.499 0.000 2.224 78 E HA 0.705 5.058 4.350 0.004 0.000 0.265 78 E C -1.917 174.538 176.600 -0.242 0.000 0.878 78 E CA -0.478 55.709 56.400 -0.356 0.000 0.759 78 E CB 2.198 31.758 29.700 -0.233 0.000 1.164 78 E HN 0.455 nan 8.360 nan 0.000 0.414 79 V N 3.705 123.491 119.914 -0.214 0.000 2.482 79 V HA 0.296 4.418 4.120 0.004 0.000 0.295 79 V C -0.363 175.706 176.094 -0.041 0.000 1.026 79 V CA -0.817 61.360 62.300 -0.205 0.000 0.856 79 V CB 1.904 33.447 31.823 -0.466 0.000 1.001 79 V HN 0.756 nan 8.190 nan 0.000 0.424 80 T N 4.707 119.238 114.554 -0.039 0.000 2.749 80 T HA 0.450 4.803 4.350 0.004 0.000 0.295 80 T C -0.070 174.672 174.700 0.069 0.000 0.936 80 T CA -0.152 61.964 62.100 0.027 0.000 1.060 80 T CB 1.108 69.987 68.868 0.019 0.000 0.904 80 T HN 0.363 nan 8.240 nan 0.000 0.500 81 V N 5.869 125.865 119.914 0.137 0.000 2.398 81 V HA 0.466 4.588 4.120 0.004 0.000 0.286 81 V C 0.019 176.195 176.094 0.137 0.000 1.026 81 V CA -0.750 61.674 62.300 0.206 0.000 0.868 81 V CB 1.145 33.163 31.823 0.325 0.000 0.982 81 V HN 0.780 nan 8.190 nan 0.000 0.443 82 I N 4.351 125.002 120.570 0.135 0.000 2.382 82 I HA 0.371 4.544 4.170 0.004 0.000 0.286 82 I C -0.143 176.011 176.117 0.062 0.000 1.002 82 I CA -0.493 60.854 61.300 0.079 0.000 1.135 82 I CB 1.612 39.655 38.000 0.072 0.000 1.288 82 I HN 0.477 nan 8.210 nan 0.000 0.448 83 N N 5.944 124.658 118.700 0.022 0.000 2.521 83 N HA 0.160 4.903 4.740 0.004 0.000 0.236 83 N C -0.098 175.398 175.510 -0.023 0.000 1.067 83 N CA -0.009 53.033 53.050 -0.013 0.000 0.939 83 N CB 0.321 38.770 38.487 -0.064 0.000 1.201 83 N HN 0.427 nan 8.380 nan 0.000 0.511 84 N N 3.279 121.977 118.700 -0.005 0.000 2.279 84 N HA 0.132 4.875 4.740 0.004 0.000 0.226 84 N C 0.068 175.575 175.510 -0.006 0.000 1.126 84 N CA -0.090 52.959 53.050 -0.002 0.000 0.846 84 N CB 0.480 38.977 38.487 0.016 0.000 1.050 84 N HN 0.488 nan 8.380 nan 0.000 0.502 85 L N -0.101 121.107 121.223 -0.024 0.000 2.474 85 L HA 0.083 4.426 4.340 0.004 0.000 0.259 85 L C 1.874 178.743 176.870 -0.001 0.000 1.232 85 L CA -0.304 54.528 54.840 -0.014 0.000 0.821 85 L CB 0.567 42.605 42.059 -0.036 0.000 1.108 85 L HN -0.145 nan 8.230 nan 0.000 0.495 86 V N -0.355 119.583 119.914 0.041 0.000 2.379 86 V HA -0.153 3.970 4.120 0.004 0.000 0.243 86 V C 1.965 178.118 176.094 0.098 0.000 1.035 86 V CA 2.228 64.568 62.300 0.068 0.000 1.035 86 V CB -0.381 31.500 31.823 0.096 0.000 0.673 86 V HN 1.097 nan 8.190 nan 0.000 0.457 87 T N -4.033 110.615 114.554 0.156 0.000 3.019 87 T HA 0.154 4.507 4.350 0.004 0.000 0.247 87 T C 0.692 175.543 174.700 0.253 0.000 0.992 87 T CA -0.143 62.118 62.100 0.268 0.000 1.036 87 T CB -0.406 68.706 68.868 0.406 0.000 1.063 87 T HN 0.373 nan 8.240 nan 0.000 0.476 88 N N 1.719 120.500 118.700 0.136 0.000 2.518 88 N HA 0.446 5.189 4.740 0.004 0.000 0.266 88 N C 0.520 175.788 175.510 -0.404 0.000 1.196 88 N CA -0.307 52.705 53.050 -0.063 0.000 0.947 88 N CB 0.861 39.260 38.487 -0.147 0.000 1.098 88 N HN 0.520 nan 8.380 nan 0.000 0.450 89 G N 0.225 108.546 108.800 -0.798 0.000 2.683 89 G HA2 0.268 4.230 3.960 0.004 0.000 0.260 89 G HA3 0.268 4.230 3.960 0.004 0.000 0.260 89 G C -0.254 173.865 174.900 -1.302 0.000 1.238 89 G CA 0.098 44.634 45.100 -0.940 0.000 0.934 89 G HN 0.421 nan 8.290 nan 0.000 0.534 90 T N -1.808 112.306 114.554 -0.734 0.000 2.853 90 T HA 0.610 4.963 4.350 0.004 0.000 0.311 90 T C -0.705 173.883 174.700 -0.187 0.000 1.307 90 T CA -0.385 61.471 62.100 -0.407 0.000 1.019 90 T CB 1.632 70.377 68.868 -0.206 0.000 1.264 90 T HN 0.580 nan 8.240 nan 0.000 0.497 91 S N 1.401 117.082 115.700 -0.031 0.000 2.634 91 S HA 0.837 5.310 4.470 0.004 0.000 0.296 91 S C -1.395 173.202 174.600 -0.005 0.000 1.104 91 S CA -0.696 57.537 58.200 0.055 0.000 0.920 91 S CB 1.034 64.288 63.200 0.090 0.000 1.111 91 S HN 0.580 nan 8.310 nan 0.000 0.493 92 I N 2.741 123.221 120.570 -0.151 0.000 2.512 92 I HA 0.286 4.459 4.170 0.004 0.000 0.287 92 I C -0.741 174.771 176.117 -1.009 0.000 1.069 92 I CA -0.369 60.561 61.300 -0.618 0.000 1.056 92 I CB 1.441 38.935 38.000 -0.843 0.000 1.229 92 I HN 0.720 nan 8.210 nan 0.000 0.429 93 H N 5.837 124.315 119.070 -0.987 0.000 2.458 93 H HA 0.457 5.016 4.556 0.004 0.000 0.330 93 H C -1.537 173.065 175.328 -1.212 0.000 1.111 93 H CA -0.372 55.118 56.048 -0.931 0.000 1.245 93 H CB 0.975 30.436 29.762 -0.503 0.000 1.456 93 H HN 0.408 nan 8.280 nan 0.000 0.488 94 W N 5.171 125.846 121.300 -1.041 0.000 2.309 94 W HA 0.203 4.866 4.660 0.005 0.000 0.332 94 W C -0.207 175.646 176.519 -1.109 0.000 0.962 94 W CA -0.888 55.911 57.345 -0.910 0.000 1.497 94 W CB -0.143 28.747 29.460 -0.950 0.000 1.308 94 W HN 0.678 nan 8.180 nan 0.000 0.384 95 H N 1.854 120.276 119.070 -1.081 0.000 2.955 95 H HA 0.403 4.961 4.556 0.004 0.000 0.290 95 H C 1.374 176.441 175.328 -0.435 0.000 1.047 95 H CA 1.267 56.793 56.048 -0.869 0.000 1.484 95 H CB 0.423 29.526 29.762 -1.100 0.000 1.501 95 H HN 0.787 nan 8.280 nan 0.000 0.521 96 G N 4.831 113.528 108.800 -0.173 0.000 2.213 96 G HA2 -0.224 3.738 3.960 0.004 0.000 0.226 96 G HA3 -0.224 3.738 3.960 0.004 0.000 0.226 96 G C -0.120 174.531 174.900 -0.415 0.000 0.992 96 G CA 0.017 45.037 45.100 -0.133 0.000 0.632 96 G HN 0.545 nan 8.290 nan 0.000 0.511 97 I N 2.677 122.981 120.570 -0.442 0.000 2.312 97 I HA 0.352 4.524 4.170 0.004 0.000 0.291 97 I C 1.214 177.121 176.117 -0.350 0.000 1.031 97 I CA -0.650 60.330 61.300 -0.534 0.000 1.293 97 I CB 0.723 38.210 38.000 -0.855 0.000 1.403 97 I HN 0.041 nan 8.210 nan 0.000 0.484 98 H N 5.181 124.108 119.070 -0.238 0.000 2.546 98 H HA 0.035 4.593 4.556 0.004 0.000 0.277 98 H C 0.285 175.471 175.328 -0.237 0.000 1.004 98 H CA 0.262 56.125 56.048 -0.308 0.000 1.231 98 H CB 0.234 29.803 29.762 -0.322 0.000 1.382 98 H HN 0.457 nan 8.280 nan 0.000 0.580 99 Q N 0.176 119.991 119.800 0.024 0.000 2.460 99 Q HA -0.207 4.135 4.340 0.004 0.000 0.311 99 Q C 0.003 176.130 176.000 0.211 0.000 1.396 99 Q CA 0.410 56.313 55.803 0.167 0.000 0.838 99 Q CB -1.623 27.319 28.738 0.341 0.000 1.140 99 Q HN 0.389 nan 8.270 nan 0.000 0.415 100 K N 2.085 122.558 120.400 0.121 0.000 2.395 100 K HA -0.015 4.308 4.320 0.004 0.000 0.283 100 K C 0.156 176.842 176.600 0.143 0.000 1.068 100 K CA 0.524 56.875 56.287 0.106 0.000 1.039 100 K CB 0.260 32.808 32.500 0.079 0.000 0.924 100 K HN 0.214 nan 8.250 nan 0.000 0.468 101 D N 2.501 123.010 120.400 0.181 0.000 2.911 101 D HA -0.173 4.470 4.640 0.004 0.000 0.227 101 D C -0.429 175.968 176.300 0.162 0.000 1.164 101 D CA 1.691 55.788 54.000 0.161 0.000 0.782 101 D CB -1.367 39.498 40.800 0.108 0.000 1.094 101 D HN 0.728 nan 8.370 nan 0.000 0.425 102 T N -3.353 111.334 114.554 0.221 0.000 3.487 102 T HA 0.143 4.495 4.350 0.004 0.000 0.287 102 T C 0.974 175.861 174.700 0.312 0.000 1.004 102 T CA -0.210 62.036 62.100 0.244 0.000 0.977 102 T CB 0.258 69.236 68.868 0.184 0.000 1.180 102 T HN 0.157 nan 8.240 nan 0.000 0.490 103 N N 0.793 119.626 118.700 0.221 0.000 2.133 103 N HA -0.147 4.595 4.740 0.004 0.000 0.193 103 N C 1.069 176.608 175.510 0.048 0.000 1.012 103 N CA 1.180 54.231 53.050 0.002 0.000 0.871 103 N CB -0.130 38.153 38.487 -0.341 0.000 1.011 103 N HN 0.346 nan 8.380 nan 0.000 0.435 104 L N 0.366 121.649 121.223 0.099 0.000 2.622 104 L HA -0.020 4.323 4.340 0.004 0.000 0.233 104 L C 1.392 178.293 176.870 0.052 0.000 1.156 104 L CA 0.915 55.790 54.840 0.059 0.000 0.866 104 L CB -0.443 41.619 42.059 0.004 0.000 0.980 104 L HN 0.287 nan 8.230 nan 0.000 0.448 105 H N -2.390 116.841 119.070 0.268 0.000 2.549 105 H HA 0.079 4.638 4.556 0.005 0.000 0.279 105 H C 0.949 176.619 175.328 0.570 0.000 1.018 105 H CA 0.155 56.475 56.048 0.452 0.000 1.175 105 H CB 0.513 30.511 29.762 0.394 0.000 1.485 105 H HN 0.281 nan 8.280 nan 0.000 0.543 106 D N 0.465 121.163 120.400 0.496 0.000 2.269 106 D HA -0.045 4.597 4.640 0.004 0.000 0.208 106 D C 1.756 178.341 176.300 0.475 0.000 0.963 106 D CA 1.093 55.399 54.000 0.511 0.000 0.864 106 D CB 0.081 41.163 40.800 0.470 0.000 0.936 106 D HN 0.517 nan 8.370 nan 0.000 0.505 107 G N -0.569 108.479 108.800 0.414 0.000 2.147 107 G HA2 -0.200 3.763 3.960 0.004 0.000 0.244 107 G HA3 -0.200 3.763 3.960 0.004 0.000 0.244 107 G C 0.331 175.328 174.900 0.162 0.000 1.005 107 G CA 0.319 45.594 45.100 0.293 0.000 0.713 107 G HN 0.684 nan 8.290 nan 0.000 0.515 108 A N 1.036 123.915 122.820 0.098 0.000 2.650 108 A HA 0.572 4.895 4.320 0.004 0.000 0.320 108 A C 0.812 178.357 177.584 -0.065 0.000 1.466 108 A CA 0.068 52.040 52.037 -0.109 0.000 1.099 108 A CB -0.423 18.448 19.000 -0.214 0.000 1.136 108 A HN 0.881 nan 8.150 nan 0.000 0.532 109 N N 1.625 120.310 118.700 -0.025 0.000 2.407 109 N HA 0.267 5.010 4.740 0.004 0.000 0.250 109 N C 1.005 176.569 175.510 0.090 0.000 1.236 109 N CA 0.314 53.370 53.050 0.010 0.000 0.879 109 N CB 0.601 39.041 38.487 -0.078 0.000 1.088 109 N HN 0.973 nan 8.380 nan 0.000 0.450 110 G N 0.070 108.943 108.800 0.122 0.000 2.234 110 G HA2 -0.314 3.648 3.960 0.004 0.000 0.260 110 G HA3 -0.314 3.648 3.960 0.004 0.000 0.260 110 G C 0.486 175.404 174.900 0.029 0.000 0.987 110 G CA 0.579 45.739 45.100 0.100 0.000 0.625 110 G HN 0.518 nan 8.290 nan 0.000 0.532 111 V N 0.077 119.986 119.914 -0.008 0.000 3.001 111 V HA 0.209 4.332 4.120 0.004 0.000 0.228 111 V C 2.457 178.547 176.094 -0.007 0.000 1.204 111 V CA 2.471 64.734 62.300 -0.063 0.000 1.247 111 V CB 0.047 31.769 31.823 -0.168 0.000 1.093 111 V HN 0.759 nan 8.190 nan 0.000 0.504 112 T N -0.882 113.683 114.554 0.017 0.000 3.054 112 T HA 0.319 4.672 4.350 0.004 0.000 0.255 112 T C 0.237 175.089 174.700 0.254 0.000 1.035 112 T CA 0.298 62.432 62.100 0.056 0.000 0.941 112 T CB -0.091 68.786 68.868 0.015 0.000 1.026 112 T HN 0.748 nan 8.240 nan 0.000 0.533 113 E N -0.867 119.487 120.200 0.257 0.000 2.409 113 E HA 0.498 4.851 4.350 0.004 0.000 0.280 113 E C -1.533 175.047 176.600 -0.033 0.000 1.079 113 E CA -1.200 55.304 56.400 0.173 0.000 0.840 113 E CB 0.485 30.230 29.700 0.075 0.000 1.309 113 E HN 0.072 nan 8.360 nan 0.000 0.447 114 c N 1.663 120.112 118.600 -0.252 0.000 2.520 114 c HA 0.497 5.070 4.570 0.004 0.000 0.376 114 c C -2.072 171.758 174.090 -0.432 0.000 1.268 114 c CA -0.956 55.178 56.329 -0.325 0.000 2.414 114 c CB -0.128 42.222 42.510 -0.266 0.000 2.521 114 c HN 0.621 nan 8.230 nan 0.000 0.618 115 P HA 0.192 nan 4.420 nan 0.000 0.269 115 P C -0.632 176.362 177.300 -0.511 0.000 1.215 115 P CA 0.124 62.731 63.100 -0.821 0.000 0.780 115 P CB 0.230 30.996 31.700 -1.557 0.000 0.898 116 I N 4.536 124.928 120.570 -0.297 0.000 2.517 116 I HA 0.120 4.293 4.170 0.004 0.000 0.285 116 I C -1.737 174.338 176.117 -0.070 0.000 1.106 116 I CA -1.900 59.327 61.300 -0.122 0.000 1.402 116 I CB 0.331 38.284 38.000 -0.078 0.000 1.399 116 I HN 0.197 nan 8.210 nan 0.000 0.535 117 P HA 0.183 nan 4.420 nan 0.000 0.272 117 P C -2.527 174.666 177.300 -0.178 0.000 1.223 117 P CA -1.450 61.675 63.100 0.041 0.000 0.784 117 P CB -0.084 31.633 31.700 0.028 0.000 0.923 118 P HA 0.024 nan 4.420 nan 0.000 0.277 118 P C -0.153 177.033 177.300 -0.189 0.000 1.276 118 P CA 0.012 62.953 63.100 -0.263 0.000 0.788 118 P CB 0.199 31.724 31.700 -0.293 0.000 1.114 119 K N -1.419 118.925 120.400 -0.093 0.000 3.129 119 K HA -0.189 4.133 4.320 0.004 0.000 0.273 119 K C 0.893 177.476 176.600 -0.028 0.000 1.123 119 K CA 1.123 57.386 56.287 -0.040 0.000 0.800 119 K CB -2.643 29.844 32.500 -0.022 0.000 1.238 119 K HN 1.048 nan 8.250 nan 0.000 0.492 120 G N -1.340 107.442 108.800 -0.030 0.000 2.175 120 G HA2 -0.158 3.804 3.960 0.004 0.000 0.182 120 G HA3 -0.158 3.804 3.960 0.004 0.000 0.182 120 G C 0.438 175.332 174.900 -0.010 0.000 1.003 120 G CA 0.221 45.315 45.100 -0.010 0.000 0.666 120 G HN 0.763 nan 8.290 nan 0.000 0.506 121 G N 0.016 108.800 108.800 -0.027 0.000 2.559 121 G HA2 0.551 4.514 3.960 0.004 0.000 0.235 121 G HA3 0.551 4.514 3.960 0.004 0.000 0.235 121 G C 0.093 174.989 174.900 -0.007 0.000 1.266 121 G CA 1.001 46.091 45.100 -0.016 0.000 0.847 121 G HN 1.308 nan 8.290 nan 0.000 0.583 122 Q N -0.038 119.759 119.800 -0.006 0.000 2.418 122 Q HA 0.726 5.069 4.340 0.004 0.000 0.282 122 Q C -1.202 174.780 176.000 -0.031 0.000 1.044 122 Q CA -1.252 54.549 55.803 -0.002 0.000 0.813 122 Q CB 2.401 31.145 28.738 0.009 0.000 1.428 122 Q HN 0.539 nan 8.270 nan 0.000 0.402 123 R N 1.041 121.515 120.500 -0.044 0.000 2.594 123 R HA 0.421 4.764 4.340 0.004 0.000 0.265 123 R C -1.662 174.564 176.300 -0.123 0.000 1.070 123 R CA -0.271 55.751 56.100 -0.130 0.000 0.909 123 R CB 2.717 32.866 30.300 -0.251 0.000 1.243 123 R HN 0.891 nan 8.270 nan 0.000 0.455 124 T N 3.953 118.432 114.554 -0.125 0.000 2.771 124 T HA 0.424 4.777 4.350 0.004 0.000 0.281 124 T C -0.857 173.816 174.700 -0.046 0.000 0.982 124 T CA -0.158 61.916 62.100 -0.044 0.000 0.978 124 T CB 0.313 69.173 68.868 -0.013 0.000 0.930 124 T HN 0.267 nan 8.240 nan 0.000 0.447 125 Y N 2.123 122.499 120.300 0.126 0.000 2.310 125 Y HA 0.575 5.127 4.550 0.004 0.000 0.326 125 Y C 0.836 176.771 175.900 0.058 0.000 1.151 125 Y CA -0.776 57.492 58.100 0.280 0.000 1.195 125 Y CB 1.127 39.793 38.460 0.342 0.000 1.210 125 Y HN 0.392 nan 8.280 nan 0.000 0.483 126 R N 4.877 125.504 120.500 0.212 0.000 2.533 126 R HA 0.369 4.711 4.340 0.004 0.000 0.288 126 R C -2.033 174.089 176.300 -0.298 0.000 1.039 126 R CA -0.587 55.370 56.100 -0.239 0.000 0.909 126 R CB 1.227 31.402 30.300 -0.208 0.000 1.195 126 R HN 0.878 nan 8.270 nan 0.000 0.438 127 W N 2.801 123.908 121.300 -0.323 0.000 3.107 127 W HA 0.496 5.159 4.660 0.004 0.000 0.331 127 W C -1.453 174.958 176.519 -0.180 0.000 1.204 127 W CA -1.242 55.945 57.345 -0.264 0.000 1.184 127 W CB 0.658 29.957 29.460 -0.269 0.000 1.421 127 W HN 0.408 nan 8.180 nan 0.000 0.544 128 R N 1.945 122.558 120.500 0.189 0.000 2.297 128 R HA 0.533 4.875 4.340 0.004 0.000 0.308 128 R C -0.151 176.315 176.300 0.278 0.000 1.029 128 R CA -0.140 56.031 56.100 0.119 0.000 0.929 128 R CB 1.145 31.499 30.300 0.090 0.000 1.046 128 R HN 0.547 nan 8.270 nan 0.000 0.461 129 A N 5.631 128.581 122.820 0.218 0.000 2.805 129 A HA 0.203 4.526 4.320 0.004 0.000 0.301 129 A C 0.172 177.939 177.584 0.304 0.000 1.557 129 A CA -0.301 51.923 52.037 0.311 0.000 1.254 129 A CB -0.228 18.917 19.000 0.242 0.000 1.114 129 A HN 0.897 nan 8.150 nan 0.000 0.553 130 R N 0.529 121.186 120.500 0.262 0.000 2.388 130 R HA 0.140 4.482 4.340 0.004 0.000 0.247 130 R C 0.104 176.566 176.300 0.271 0.000 0.931 130 R CA 0.249 56.546 56.100 0.328 0.000 1.082 130 R CB 0.280 30.727 30.300 0.245 0.000 1.135 130 R HN 0.808 nan 8.270 nan 0.000 0.525 131 Q N 0.212 120.033 119.800 0.035 0.000 2.340 131 Q HA 0.250 4.592 4.340 0.004 0.000 0.276 131 Q C -1.758 173.989 176.000 -0.422 0.000 1.048 131 Q CA -1.000 54.576 55.803 -0.378 0.000 0.832 131 Q CB 1.789 30.263 28.738 -0.440 0.000 1.373 131 Q HN 0.133 nan 8.270 nan 0.000 0.409 132 Y N 0.525 120.389 120.300 -0.726 0.000 2.446 132 Y HA 0.983 5.536 4.550 0.005 0.000 0.338 132 Y C 0.426 176.057 175.900 -0.449 0.000 1.055 132 Y CA -0.105 57.648 58.100 -0.577 0.000 1.101 132 Y CB 1.665 39.638 38.460 -0.813 0.000 1.221 132 Y HN 0.774 nan 8.280 nan 0.000 0.460 133 G N 0.527 109.218 108.800 -0.182 0.000 2.278 133 G HA2 0.264 4.227 3.960 0.004 0.000 0.265 133 G HA3 0.264 4.227 3.960 0.004 0.000 0.265 133 G C -1.490 173.350 174.900 -0.101 0.000 1.329 133 G CA -0.654 44.341 45.100 -0.174 0.000 1.017 133 G HN 0.755 nan 8.290 nan 0.000 0.472 134 T N 1.048 115.541 114.554 -0.101 0.000 2.786 134 T HA 0.796 5.149 4.350 0.004 0.000 0.283 134 T C -0.020 174.649 174.700 -0.052 0.000 0.992 134 T CA 0.147 62.215 62.100 -0.053 0.000 0.954 134 T CB 1.485 70.317 68.868 -0.059 0.000 0.934 134 T HN 0.760 nan 8.240 nan 0.000 0.440 135 S N 1.880 117.587 115.700 0.011 0.000 2.971 135 S HA 0.853 5.326 4.470 0.004 0.000 0.320 135 S C -1.517 173.200 174.600 0.195 0.000 1.111 135 S CA -0.947 57.299 58.200 0.077 0.000 0.870 135 S CB 1.443 64.648 63.200 0.008 0.000 1.331 135 S HN 0.830 nan 8.310 nan 0.000 0.635 136 W N 0.495 121.706 121.300 -0.149 0.000 3.005 136 W HA 0.672 5.335 4.660 0.004 0.000 0.343 136 W C -2.537 173.905 176.519 -0.130 0.000 1.243 136 W CA -1.243 55.984 57.345 -0.197 0.000 1.186 136 W CB -0.071 29.191 29.460 -0.330 0.000 1.453 136 W HN 0.760 nan 8.180 nan 0.000 0.575 137 Y N -0.120 120.065 120.300 -0.192 0.000 2.581 137 Y HA 0.802 5.354 4.550 0.004 0.000 0.345 137 Y C -0.961 174.616 175.900 -0.539 0.000 1.036 137 Y CA -1.433 56.305 58.100 -0.603 0.000 1.042 137 Y CB 1.666 39.858 38.460 -0.447 0.000 1.289 137 Y HN 0.744 nan 8.280 nan 0.000 0.471 138 H N -1.720 117.036 119.070 -0.524 0.000 3.068 138 H HA 0.523 5.081 4.556 0.004 0.000 0.342 138 H C -1.077 174.075 175.328 -0.294 0.000 1.284 138 H CA -1.009 54.778 56.048 -0.434 0.000 1.181 138 H CB 0.984 30.212 29.762 -0.890 0.000 1.898 138 H HN 0.805 nan 8.280 nan 0.000 0.540 139 S N -0.014 115.721 115.700 0.059 0.000 2.563 139 S HA -0.050 4.423 4.470 0.004 0.000 0.284 139 S C 0.137 174.864 174.600 0.211 0.000 1.331 139 S CA -0.099 58.168 58.200 0.112 0.000 1.047 139 S CB 0.026 63.342 63.200 0.193 0.000 0.859 139 S HN 0.814 nan 8.310 nan 0.000 0.514 140 H N 3.186 122.340 119.070 0.140 0.000 2.581 140 H HA 0.241 4.799 4.556 0.004 0.000 0.275 140 H C -0.786 174.647 175.328 0.176 0.000 1.126 140 H CA -0.435 55.708 56.048 0.159 0.000 1.097 140 H CB -0.191 29.602 29.762 0.051 0.000 1.626 140 H HN 0.596 nan 8.280 nan 0.000 0.565 141 F N 1.715 121.755 119.950 0.151 0.000 2.464 141 F HA 0.266 4.795 4.527 0.003 0.000 0.353 141 F C 1.164 177.086 175.800 0.204 0.000 1.191 141 F CA 0.549 58.586 58.000 0.061 0.000 1.147 141 F CB -0.098 38.815 39.000 -0.145 0.000 1.294 141 F HN 0.118 nan 8.300 nan 0.000 0.583 142 S N 3.647 119.392 115.700 0.076 0.000 3.736 142 S HA -0.335 4.138 4.470 0.004 0.000 0.627 142 S C 0.917 175.616 174.600 0.165 0.000 2.426 142 S CA 0.948 59.216 58.200 0.113 0.000 4.022 142 S CB -1.411 61.833 63.200 0.074 0.000 0.237 142 S HN 1.391 nan 8.310 nan 0.000 0.967 143 A N 0.753 123.663 122.820 0.151 0.000 2.577 143 A HA 0.363 4.686 4.320 0.004 0.000 0.280 143 A C 1.478 179.097 177.584 0.059 0.000 1.331 143 A CA 1.062 53.138 52.037 0.066 0.000 0.935 143 A CB -0.367 18.698 19.000 0.108 0.000 1.082 143 A HN 0.646 nan 8.150 nan 0.000 0.525 144 Q N -0.364 119.550 119.800 0.190 0.000 2.197 144 Q HA -0.264 4.079 4.340 0.004 0.000 0.207 144 Q C 1.627 177.723 176.000 0.159 0.000 0.984 144 Q CA 2.362 58.288 55.803 0.204 0.000 0.869 144 Q CB -0.406 28.516 28.738 0.306 0.000 0.906 144 Q HN 0.972 nan 8.270 nan 0.000 0.426 145 Y N -2.039 118.312 120.300 0.084 0.000 2.403 145 Y HA 0.063 4.616 4.550 0.005 0.000 0.291 145 Y C 1.796 177.731 175.900 0.059 0.000 1.143 145 Y CA 1.075 59.212 58.100 0.062 0.000 1.257 145 Y CB -0.927 37.567 38.460 0.056 0.000 0.984 145 Y HN 0.023 nan 8.280 nan 0.000 0.550 146 G N 0.560 109.181 108.800 -0.298 0.000 2.625 146 G HA2 -0.212 3.751 3.960 0.004 0.000 0.214 146 G HA3 -0.212 3.751 3.960 0.004 0.000 0.214 146 G C 1.175 176.079 174.900 0.007 0.000 1.132 146 G CA 0.617 45.602 45.100 -0.192 0.000 0.782 146 G HN 0.420 nan 8.290 nan 0.000 0.538 147 N N 0.129 118.845 118.700 0.026 0.000 2.353 147 N HA 0.148 4.891 4.740 0.004 0.000 0.185 147 N C 1.614 177.111 175.510 -0.022 0.000 1.098 147 N CA 0.918 53.980 53.050 0.020 0.000 0.872 147 N CB 0.736 39.240 38.487 0.028 0.000 0.970 147 N HN 0.405 nan 8.380 nan 0.000 0.467 148 G N -0.895 107.915 108.800 0.017 0.000 2.425 148 G HA2 -0.198 3.764 3.960 0.004 0.000 0.177 148 G HA3 -0.198 3.764 3.960 0.004 0.000 0.177 148 G C -0.219 174.684 174.900 0.006 0.000 0.999 148 G CA -0.310 44.776 45.100 -0.024 0.000 0.723 148 G HN 0.095 nan 8.290 nan 0.000 0.491 149 V N 1.657 121.610 119.914 0.065 0.000 2.149 149 V HA 0.595 4.717 4.120 0.004 0.000 0.245 149 V C 0.290 176.445 176.094 0.103 0.000 1.349 149 V CA 0.154 62.494 62.300 0.067 0.000 1.289 149 V CB 0.524 32.399 31.823 0.086 0.000 1.401 149 V HN 0.674 nan 8.190 nan 0.000 0.501 150 V N 2.785 122.710 119.914 0.018 0.000 3.077 150 V HA 0.996 5.118 4.120 0.004 0.000 0.299 150 V C -0.104 175.781 176.094 -0.348 0.000 1.276 150 V CA 0.513 62.776 62.300 -0.062 0.000 0.993 150 V CB 2.332 34.243 31.823 0.148 0.000 1.076 150 V HN 0.744 nan 8.190 nan 0.000 0.434 151 G N 2.504 110.767 108.800 -0.895 0.000 2.606 151 G HA2 0.726 4.689 3.960 0.004 0.000 0.300 151 G HA3 0.726 4.689 3.960 0.004 0.000 0.300 151 G C -0.667 173.742 174.900 -0.817 0.000 1.360 151 G CA 0.165 44.684 45.100 -0.968 0.000 0.783 151 G HN 1.361 nan 8.290 nan 0.000 0.484 152 T N -2.124 112.257 114.554 -0.288 0.000 2.942 152 T HA 0.802 5.155 4.350 0.004 0.000 0.289 152 T C -0.575 174.251 174.700 0.210 0.000 1.044 152 T CA -0.707 61.385 62.100 -0.013 0.000 1.023 152 T CB 1.813 70.678 68.868 -0.004 0.000 1.123 152 T HN 0.518 nan 8.240 nan 0.000 0.512 153 I N 1.144 121.838 120.570 0.207 0.000 2.533 153 I HA 0.406 4.579 4.170 0.004 0.000 0.290 153 I C -0.571 175.633 176.117 0.144 0.000 1.056 153 I CA -0.718 60.728 61.300 0.243 0.000 1.057 153 I CB 2.309 40.485 38.000 0.293 0.000 1.240 153 I HN 0.700 nan 8.210 nan 0.000 0.423 154 Q N 6.926 126.809 119.800 0.139 0.000 2.347 154 Q HA 0.452 4.795 4.340 0.004 0.000 0.265 154 Q C -1.573 174.494 176.000 0.113 0.000 1.024 154 Q CA -0.635 55.227 55.803 0.099 0.000 0.731 154 Q CB 1.315 30.108 28.738 0.092 0.000 1.245 154 Q HN 0.491 nan 8.270 nan 0.000 0.472 155 I N 3.866 124.488 120.570 0.086 0.000 2.306 155 I HA 0.265 4.437 4.170 0.004 0.000 0.288 155 I C 0.061 176.204 176.117 0.044 0.000 1.036 155 I CA -0.549 60.806 61.300 0.092 0.000 1.221 155 I CB 0.513 38.567 38.000 0.090 0.000 1.385 155 I HN 0.630 nan 8.210 nan 0.000 0.472 156 N N 4.380 123.122 118.700 0.071 0.000 2.453 156 N HA 0.572 5.315 4.740 0.004 0.000 0.253 156 N C 0.498 175.757 175.510 -0.418 0.000 1.252 156 N CA 0.248 53.302 53.050 0.006 0.000 0.917 156 N CB 1.859 40.484 38.487 0.230 0.000 1.117 156 N HN 0.879 nan 8.380 nan 0.000 0.442 157 G N 0.089 108.376 108.800 -0.855 0.000 2.340 157 G HA2 0.272 4.235 3.960 0.004 0.000 0.299 157 G HA3 0.272 4.235 3.960 0.004 0.000 0.299 157 G C -3.175 171.100 174.900 -1.042 0.000 1.291 157 G CA -0.588 43.413 45.100 -1.832 0.000 0.841 157 G HN 0.326 nan 8.290 nan 0.000 0.500 158 P HA 0.595 nan 4.420 nan 0.000 0.275 158 P C -0.417 176.837 177.300 -0.077 0.000 1.266 158 P CA 0.133 63.088 63.100 -0.241 0.000 0.793 158 P CB 1.596 33.225 31.700 -0.117 0.000 1.074 159 A N -0.366 122.513 122.820 0.097 0.000 2.594 159 A HA 0.496 4.818 4.320 0.004 0.000 0.291 159 A C 0.650 178.331 177.584 0.161 0.000 1.105 159 A CA -0.115 52.031 52.037 0.181 0.000 0.694 159 A CB 0.500 19.701 19.000 0.334 0.000 1.291 159 A HN 0.450 nan 8.150 nan 0.000 0.410 160 S N -0.183 115.608 115.700 0.152 0.000 2.593 160 S HA 0.417 4.890 4.470 0.004 0.000 0.217 160 S C 0.258 174.930 174.600 0.120 0.000 0.966 160 S CA 0.233 58.507 58.200 0.124 0.000 0.914 160 S CB -0.510 62.754 63.200 0.106 0.000 0.776 160 S HN 0.525 nan 8.310 nan 0.000 0.523 161 L N 1.661 122.979 121.223 0.158 0.000 2.434 161 L HA 0.537 4.880 4.340 0.004 0.000 0.260 161 L C -2.734 174.249 176.870 0.188 0.000 0.983 161 L CA -2.577 52.355 54.840 0.154 0.000 0.820 161 L CB 2.764 44.915 42.059 0.153 0.000 1.361 161 L HN -0.073 nan 8.230 nan 0.000 0.410 162 P HA 0.235 nan 4.420 nan 0.000 0.272 162 P C -1.797 175.570 177.300 0.112 0.000 1.223 162 P CA 0.159 63.265 63.100 0.010 0.000 0.784 162 P CB 0.676 32.373 31.700 -0.006 0.000 0.923 163 Y N -1.824 118.481 120.300 0.008 0.000 2.677 163 Y HA 0.411 4.963 4.550 0.005 0.000 0.334 163 Y C 0.095 175.974 175.900 -0.035 0.000 1.196 163 Y CA -0.912 57.179 58.100 -0.015 0.000 1.059 163 Y CB -0.029 38.429 38.460 -0.004 0.000 1.315 163 Y HN 0.125 nan 8.280 nan 0.000 0.455 164 D N 1.133 121.595 120.400 0.104 0.000 2.259 164 D HA 0.230 4.873 4.640 0.004 0.000 0.216 164 D C 0.076 176.399 176.300 0.038 0.000 0.961 164 D CA 1.303 55.294 54.000 -0.016 0.000 0.878 164 D CB 1.172 41.916 40.800 -0.093 0.000 1.009 164 D HN 0.471 nan 8.370 nan 0.000 0.490 165 I N 1.181 121.806 120.570 0.091 0.000 2.533 165 I HA 0.129 4.302 4.170 0.004 0.000 0.290 165 I C -0.876 175.340 176.117 0.165 0.000 1.056 165 I CA -0.845 60.501 61.300 0.076 0.000 1.057 165 I CB 2.770 40.742 38.000 -0.047 0.000 1.240 165 I HN -0.295 nan 8.210 nan 0.000 0.423 166 D N 6.545 127.047 120.400 0.170 0.000 2.396 166 D HA 0.277 4.920 4.640 0.004 0.000 0.225 166 D C 0.650 176.973 176.300 0.039 0.000 1.121 166 D CA -0.139 53.916 54.000 0.091 0.000 0.853 166 D CB 1.388 42.286 40.800 0.164 0.000 1.043 166 D HN 0.447 nan 8.370 nan 0.000 0.500 167 L N 3.116 124.333 121.223 -0.010 0.000 2.478 167 L HA 0.169 4.512 4.340 0.004 0.000 0.223 167 L C 1.641 178.483 176.870 -0.047 0.000 1.140 167 L CA 0.558 55.370 54.840 -0.047 0.000 0.842 167 L CB -0.631 41.349 42.059 -0.132 0.000 0.953 167 L HN 0.697 nan 8.230 nan 0.000 0.452 168 G N -0.024 108.762 108.800 -0.024 0.000 2.584 168 G HA2 -0.246 3.716 3.960 0.004 0.000 0.229 168 G HA3 -0.246 3.716 3.960 0.004 0.000 0.229 168 G C -0.209 174.695 174.900 0.007 0.000 1.320 168 G CA -0.329 44.774 45.100 0.004 0.000 0.891 168 G HN 0.242 nan 8.290 nan 0.000 0.573 169 V N -2.940 116.995 119.914 0.035 0.000 2.732 169 V HA 0.768 4.891 4.120 0.004 0.000 0.297 169 V C 0.186 176.363 176.094 0.138 0.000 1.060 169 V CA -0.134 62.197 62.300 0.051 0.000 1.038 169 V CB 1.554 33.391 31.823 0.023 0.000 1.003 169 V HN 1.592 nan 8.190 nan 0.000 0.481 170 F N 5.748 125.624 119.950 -0.123 0.000 2.794 170 F HA 0.560 5.090 4.527 0.005 0.000 0.353 170 F C -2.628 173.071 175.800 -0.167 0.000 1.371 170 F CA -2.668 55.238 58.000 -0.157 0.000 1.173 170 F CB 1.532 40.423 39.000 -0.181 0.000 1.693 170 F HN 0.477 nan 8.300 nan 0.000 0.606 171 P HA 0.325 nan 4.420 nan 0.000 0.276 171 P C -0.479 176.584 177.300 -0.395 0.000 1.230 171 P CA 0.130 63.049 63.100 -0.301 0.000 0.776 171 P CB 1.764 33.313 31.700 -0.251 0.000 0.888 172 I N 2.067 122.429 120.570 -0.345 0.000 2.433 172 I HA 0.457 4.629 4.170 0.004 0.000 0.292 172 I C 0.463 176.484 176.117 -0.160 0.000 1.001 172 I CA -0.345 60.738 61.300 -0.361 0.000 1.119 172 I CB 2.279 40.008 38.000 -0.451 0.000 1.289 172 I HN 0.278 nan 8.210 nan 0.000 0.438 173 T N 3.349 117.838 114.554 -0.108 0.000 2.923 173 T HA 0.309 4.661 4.350 0.004 0.000 0.311 173 T C -1.354 173.453 174.700 0.177 0.000 1.183 173 T CA -0.785 61.368 62.100 0.089 0.000 1.020 173 T CB 1.246 70.122 68.868 0.013 0.000 1.165 173 T HN 0.680 nan 8.240 nan 0.000 0.482 174 D N 1.951 122.518 120.400 0.278 0.000 2.368 174 D HA 0.256 4.899 4.640 0.004 0.000 0.240 174 D C -0.863 175.483 176.300 0.078 0.000 1.169 174 D CA 0.047 54.134 54.000 0.145 0.000 0.906 174 D CB 0.267 41.112 40.800 0.074 0.000 1.187 174 D HN 0.454 nan 8.370 nan 0.000 0.435 175 Y N 0.600 120.705 120.300 -0.326 0.000 2.354 175 Y HA 0.397 4.950 4.550 0.006 0.000 0.330 175 Y C -1.935 173.667 175.900 -0.497 0.000 1.011 175 Y CA -1.195 56.773 58.100 -0.220 0.000 1.099 175 Y CB 1.056 39.456 38.460 -0.099 0.000 1.179 175 Y HN 0.339 nan 8.280 nan 0.000 0.442 176 Y N 5.187 125.230 120.300 -0.428 0.000 2.429 176 Y HA 0.310 4.863 4.550 0.005 0.000 0.342 176 Y C -0.090 175.509 175.900 -0.501 0.000 1.004 176 Y CA -0.907 56.929 58.100 -0.440 0.000 1.075 176 Y CB 0.953 39.323 38.460 -0.150 0.000 1.214 176 Y HN 0.588 nan 8.280 nan 0.000 0.455 177 Y N -0.230 119.980 120.300 -0.149 0.000 2.314 177 Y HA 0.072 4.624 4.550 0.004 0.000 0.293 177 Y C 1.040 176.913 175.900 -0.046 0.000 1.129 177 Y CA 0.012 58.034 58.100 -0.131 0.000 1.201 177 Y CB -0.257 38.161 38.460 -0.071 0.000 0.999 177 Y HN 0.312 nan 8.280 nan 0.000 0.541 178 R N 0.611 121.174 120.500 0.105 0.000 2.594 178 R HA 0.421 4.764 4.340 0.004 0.000 0.272 178 R C 0.314 176.633 176.300 0.031 0.000 1.074 178 R CA -0.036 56.085 56.100 0.035 0.000 1.105 178 R CB 0.485 30.755 30.300 -0.050 0.000 1.008 178 R HN 0.133 nan 8.270 nan 0.000 0.472 179 A N 1.828 124.661 122.820 0.022 0.000 2.332 179 A HA 0.370 4.693 4.320 0.004 0.000 0.258 179 A C 1.211 178.809 177.584 0.023 0.000 1.087 179 A CA 0.284 52.340 52.037 0.031 0.000 0.802 179 A CB 0.523 19.541 19.000 0.030 0.000 1.042 179 A HN 0.908 nan 8.150 nan 0.000 0.489 180 A N 0.301 123.157 122.820 0.060 0.000 1.908 180 A HA -0.169 4.154 4.320 0.004 0.000 0.218 180 A C 1.606 179.255 177.584 0.108 0.000 1.181 180 A CA 2.064 54.169 52.037 0.112 0.000 0.627 180 A CB -0.624 18.447 19.000 0.119 0.000 0.818 180 A HN 0.849 nan 8.150 nan 0.000 0.445 181 D N -0.147 120.304 120.400 0.086 0.000 2.144 181 D HA -0.123 4.520 4.640 0.004 0.000 0.200 181 D C 1.099 177.434 176.300 0.059 0.000 0.978 181 D CA 1.350 55.401 54.000 0.085 0.000 0.833 181 D CB -0.281 40.553 40.800 0.057 0.000 0.961 181 D HN 0.390 nan 8.370 nan 0.000 0.470 182 D N 0.634 121.042 120.400 0.013 0.000 2.144 182 D HA -0.069 4.574 4.640 0.004 0.000 0.200 182 D C 2.382 178.683 176.300 0.002 0.000 0.978 182 D CA 0.346 54.348 54.000 0.004 0.000 0.833 182 D CB -0.171 40.610 40.800 -0.033 0.000 0.961 182 D HN 0.249 nan 8.370 nan 0.000 0.470 183 L N 0.242 121.394 121.223 -0.118 0.000 2.109 183 L HA -0.105 4.237 4.340 0.004 0.000 0.207 183 L C 2.529 179.168 176.870 -0.384 0.000 1.086 183 L CA 0.358 54.974 54.840 -0.372 0.000 0.760 183 L CB -0.214 41.409 42.059 -0.727 0.000 0.910 183 L HN -0.087 nan 8.230 nan 0.000 0.437 184 V N -0.501 119.346 119.914 -0.111 0.000 2.255 184 V HA -0.368 3.755 4.120 0.004 0.000 0.247 184 V C 2.564 178.700 176.094 0.070 0.000 1.051 184 V CA 2.127 64.463 62.300 0.060 0.000 1.018 184 V CB -0.819 31.117 31.823 0.189 0.000 0.641 184 V HN 0.556 nan 8.190 nan 0.000 0.445 185 H N -0.908 118.176 119.070 0.024 0.000 2.352 185 H HA -0.250 4.310 4.556 0.006 0.000 0.299 185 H C 2.260 177.614 175.328 0.045 0.000 1.097 185 H CA 2.526 58.598 56.048 0.040 0.000 1.311 185 H CB -0.211 29.577 29.762 0.043 0.000 1.377 185 H HN 0.435 nan 8.280 nan 0.000 0.504 186 F N 1.931 121.866 119.950 -0.024 0.000 2.113 186 F HA -0.178 4.350 4.527 0.002 0.000 0.297 186 F C 2.740 178.468 175.800 -0.119 0.000 1.103 186 F CA 2.298 60.251 58.000 -0.079 0.000 1.248 186 F CB -0.731 38.197 39.000 -0.119 0.000 0.999 186 F HN 0.238 nan 8.300 nan 0.000 0.475 187 T N -2.101 112.364 114.554 -0.148 0.000 3.072 187 T HA -0.108 4.245 4.350 0.004 0.000 0.266 187 T C 1.606 176.328 174.700 0.037 0.000 1.127 187 T CA 0.934 62.935 62.100 -0.164 0.000 1.107 187 T CB -0.489 68.237 68.868 -0.237 0.000 0.910 187 T HN 0.477 nan 8.240 nan 0.000 0.513 188 Q N 0.948 120.736 119.800 -0.020 0.000 2.291 188 Q HA 0.054 4.397 4.340 0.004 0.000 0.205 188 Q C 1.290 177.274 176.000 -0.027 0.000 0.970 188 Q CA 0.851 56.668 55.803 0.023 0.000 0.876 188 Q CB 0.046 28.735 28.738 -0.081 0.000 0.935 188 Q HN 0.559 nan 8.270 nan 0.000 0.455 189 N N -0.333 118.282 118.700 -0.142 0.000 2.143 189 N HA 0.146 4.889 4.740 0.004 0.000 0.229 189 N C -0.800 174.592 175.510 -0.197 0.000 1.294 189 N CA 0.104 52.996 53.050 -0.262 0.000 0.883 189 N CB 0.905 39.218 38.487 -0.291 0.000 1.148 189 N HN 0.121 nan 8.380 nan 0.000 0.511 190 N N 0.238 118.874 118.700 -0.108 0.000 2.277 190 N HA 0.324 5.066 4.740 0.004 0.000 0.286 190 N C -0.923 174.533 175.510 -0.089 0.000 1.140 190 N CA -0.427 52.482 53.050 -0.234 0.000 0.799 190 N CB 2.504 40.298 38.487 -1.155 0.000 1.596 190 N HN -0.071 nan 8.380 nan 0.000 0.473 191 A N 1.929 124.729 122.820 -0.032 0.000 2.498 191 A HA 0.291 4.614 4.320 0.004 0.000 0.239 191 A C -1.936 175.666 177.584 0.030 0.000 1.068 191 A CA -0.536 51.453 52.037 -0.080 0.000 0.766 191 A CB -0.537 18.436 19.000 -0.046 0.000 1.003 191 A HN 0.395 nan 8.150 nan 0.000 0.497 192 P HA 0.259 nan 4.420 nan 0.000 0.271 192 P C -2.533 174.902 177.300 0.226 0.000 1.218 192 P CA -0.847 62.339 63.100 0.142 0.000 0.780 192 P CB -0.075 31.759 31.700 0.222 0.000 0.901 193 P HA 0.253 nan 4.420 nan 0.000 0.276 193 P C -0.181 177.352 177.300 0.388 0.000 1.252 193 P CA -0.357 62.869 63.100 0.211 0.000 0.802 193 P CB 0.403 32.154 31.700 0.085 0.000 1.035 194 F N 0.255 120.241 119.950 0.059 0.000 2.490 194 F HA 0.069 4.599 4.527 0.004 0.000 0.336 194 F C 1.683 177.495 175.800 0.019 0.000 1.178 194 F CA -0.726 57.270 58.000 -0.007 0.000 1.301 194 F CB -0.249 38.687 39.000 -0.107 0.000 1.175 194 F HN 0.271 nan 8.300 nan 0.000 0.593 195 S N 0.953 116.660 115.700 0.012 0.000 2.585 195 S HA 0.090 4.563 4.470 0.004 0.000 0.273 195 S C 0.688 175.103 174.600 -0.308 0.000 1.339 195 S CA -0.720 57.209 58.200 -0.452 0.000 1.028 195 S CB 0.855 63.718 63.200 -0.562 0.000 0.906 195 S HN 0.539 nan 8.310 nan 0.000 0.528 196 D N 0.929 121.033 120.400 -0.492 0.000 2.183 196 D HA 0.037 4.680 4.640 0.004 0.000 0.203 196 D C 0.512 176.670 176.300 -0.236 0.000 0.969 196 D CA 1.155 54.887 54.000 -0.446 0.000 0.842 196 D CB -0.127 40.009 40.800 -1.107 0.000 0.957 196 D HN 0.522 nan 8.370 nan 0.000 0.484 197 N N -1.180 117.418 118.700 -0.170 0.000 3.039 197 N HA 0.226 4.968 4.740 0.004 0.000 0.257 197 N C -1.895 173.620 175.510 0.008 0.000 1.497 197 N CA -0.529 52.520 53.050 -0.003 0.000 0.861 197 N CB 2.146 40.706 38.487 0.122 0.000 1.479 197 N HN -0.348 nan 8.380 nan 0.000 0.547 198 V N 1.955 121.869 119.914 0.000 0.000 2.443 198 V HA 0.485 4.608 4.120 0.004 0.000 0.293 198 V C -0.160 175.858 176.094 -0.126 0.000 1.021 198 V CA -0.678 61.596 62.300 -0.044 0.000 0.848 198 V CB 1.388 33.146 31.823 -0.109 0.000 0.998 198 V HN 0.435 nan 8.190 nan 0.000 0.424 199 L N 5.780 126.913 121.223 -0.151 0.000 2.350 199 L HA 0.589 4.931 4.340 0.004 0.000 0.275 199 L C -0.530 176.175 176.870 -0.276 0.000 1.099 199 L CA -0.312 54.397 54.840 -0.219 0.000 0.808 199 L CB 1.263 43.175 42.059 -0.245 0.000 1.149 199 L HN 0.471 nan 8.230 nan 0.000 0.442 200 I N 3.164 123.557 120.570 -0.295 0.000 2.410 200 I HA 0.211 4.384 4.170 0.004 0.000 0.286 200 I C 0.176 176.005 176.117 -0.480 0.000 1.009 200 I CA -0.494 60.524 61.300 -0.470 0.000 1.111 200 I CB 1.408 39.150 38.000 -0.430 0.000 1.262 200 I HN 0.678 nan 8.210 nan 0.000 0.443 201 N N 5.181 123.537 118.700 -0.573 0.000 2.716 201 N HA -0.218 4.525 4.740 0.004 0.000 0.250 201 N C 0.785 176.183 175.510 -0.187 0.000 1.033 201 N CA 1.404 54.250 53.050 -0.341 0.000 0.727 201 N CB -0.667 37.676 38.487 -0.240 0.000 0.950 201 N HN 1.130 nan 8.380 nan 0.000 0.541 202 G N -2.694 105.994 108.800 -0.187 0.000 2.175 202 G HA2 -0.224 3.739 3.960 0.004 0.000 0.244 202 G HA3 -0.224 3.739 3.960 0.004 0.000 0.244 202 G C 0.249 175.064 174.900 -0.142 0.000 0.982 202 G CA 0.810 45.834 45.100 -0.126 0.000 0.641 202 G HN 1.024 nan 8.290 nan 0.000 0.527 203 T N -0.802 113.654 114.554 -0.164 0.000 2.883 203 T HA 0.913 5.266 4.350 0.004 0.000 0.301 203 T C -0.707 173.895 174.700 -0.163 0.000 1.158 203 T CA 0.801 62.807 62.100 -0.156 0.000 1.007 203 T CB 1.587 70.393 68.868 -0.104 0.000 1.186 203 T HN 1.907 nan 8.240 nan 0.000 0.499 204 A N 1.758 124.473 122.820 -0.175 0.000 2.601 204 A HA 0.712 5.035 4.320 0.004 0.000 0.291 204 A C -1.426 176.026 177.584 -0.220 0.000 1.075 204 A CA -0.587 51.346 52.037 -0.173 0.000 0.671 204 A CB 1.125 20.040 19.000 -0.141 0.000 1.277 204 A HN 0.758 nan 8.150 nan 0.000 0.417 205 V N 2.143 121.867 119.914 -0.317 0.000 2.509 205 V HA 0.281 4.404 4.120 0.004 0.000 0.284 205 V C 0.581 176.595 176.094 -0.134 0.000 1.047 205 V CA -0.886 61.228 62.300 -0.310 0.000 0.952 205 V CB 1.512 32.990 31.823 -0.574 0.000 0.988 205 V HN 0.834 nan 8.190 nan 0.000 0.469 206 N N 6.592 125.250 118.700 -0.071 0.000 2.452 206 N HA 0.119 4.861 4.740 0.004 0.000 0.266 206 N C -1.384 174.133 175.510 0.012 0.000 1.175 206 N CA -1.428 51.627 53.050 0.008 0.000 0.945 206 N CB 1.759 40.257 38.487 0.018 0.000 1.063 206 N HN 0.376 nan 8.380 nan 0.000 0.472 207 P HA -0.038 nan 4.420 nan 0.000 0.230 207 P C -0.085 177.244 177.300 0.047 0.000 1.158 207 P CA 1.194 64.322 63.100 0.045 0.000 0.769 207 P CB 0.519 32.250 31.700 0.052 0.000 0.807 208 N N -0.855 117.872 118.700 0.046 0.000 2.499 208 N HA -0.029 4.714 4.740 0.004 0.000 0.182 208 N C 1.606 177.131 175.510 0.026 0.000 1.034 208 N CA 1.160 54.233 53.050 0.039 0.000 0.882 208 N CB -0.151 38.362 38.487 0.044 0.000 1.125 208 N HN 0.135 nan 8.380 nan 0.000 0.436 209 T N -3.503 111.061 114.554 0.017 0.000 2.990 209 T HA 0.318 4.670 4.350 0.004 0.000 0.250 209 T C 1.566 176.266 174.700 -0.000 0.000 1.041 209 T CA 0.496 62.599 62.100 0.004 0.000 1.010 209 T CB 0.509 69.372 68.868 -0.009 0.000 1.003 209 T HN 0.229 nan 8.240 nan 0.000 0.499 210 G N 1.475 110.273 108.800 -0.003 0.000 2.162 210 G HA2 -0.247 3.716 3.960 0.004 0.000 0.260 210 G HA3 -0.247 3.716 3.960 0.004 0.000 0.260 210 G C -0.161 174.716 174.900 -0.039 0.000 0.976 210 G CA 0.274 45.367 45.100 -0.013 0.000 0.655 210 G HN 0.679 nan 8.290 nan 0.000 0.533 211 E N 0.046 120.220 120.200 -0.043 0.000 2.392 211 E HA 0.488 4.841 4.350 0.004 0.000 0.259 211 E C 0.973 177.520 176.600 -0.090 0.000 1.108 211 E CA 0.462 56.827 56.400 -0.059 0.000 0.916 211 E CB 0.857 30.524 29.700 -0.054 0.000 0.989 211 E HN 1.485 nan 8.360 nan 0.000 0.432 212 G N 0.945 109.685 108.800 -0.099 0.000 2.610 212 G HA2 -0.144 3.819 3.960 0.004 0.000 0.304 212 G HA3 -0.144 3.819 3.960 0.004 0.000 0.304 212 G C -1.237 173.575 174.900 -0.146 0.000 1.309 212 G CA -0.856 44.167 45.100 -0.128 0.000 0.906 212 G HN 0.377 nan 8.290 nan 0.000 0.521 213 Q N -1.152 118.548 119.800 -0.167 0.000 2.379 213 Q HA 0.500 4.842 4.340 0.004 0.000 0.278 213 Q C -1.338 174.566 176.000 -0.159 0.000 1.068 213 Q CA -0.744 54.979 55.803 -0.133 0.000 0.816 213 Q CB 2.033 30.741 28.738 -0.050 0.000 1.387 213 Q HN 0.572 nan 8.270 nan 0.000 0.413 214 Y N 0.544 120.876 120.300 0.053 0.000 2.359 214 Y HA 0.322 4.875 4.550 0.005 0.000 0.330 214 Y C 0.942 176.872 175.900 0.051 0.000 1.143 214 Y CA -0.171 57.983 58.100 0.090 0.000 1.318 214 Y CB 0.653 39.228 38.460 0.193 0.000 1.234 214 Y HN 0.642 nan 8.280 nan 0.000 0.522 215 A N 3.245 126.181 122.820 0.193 0.000 2.540 215 A HA 0.078 4.401 4.320 0.004 0.000 0.239 215 A C 0.110 177.774 177.584 0.135 0.000 1.061 215 A CA -0.081 52.029 52.037 0.122 0.000 0.758 215 A CB -0.205 18.845 19.000 0.082 0.000 0.991 215 A HN 0.735 nan 8.150 nan 0.000 0.502 216 N N 2.072 120.789 118.700 0.029 0.000 2.531 216 N HA 0.416 5.158 4.740 0.004 0.000 0.268 216 N C -1.547 173.845 175.510 -0.195 0.000 1.023 216 N CA -0.326 52.691 53.050 -0.055 0.000 0.896 216 N CB 1.453 39.914 38.487 -0.044 0.000 1.233 216 N HN 0.249 nan 8.380 nan 0.000 0.512 217 V N 2.838 122.493 119.914 -0.431 0.000 2.370 217 V HA 0.400 4.523 4.120 0.004 0.000 0.279 217 V C 0.282 176.080 176.094 -0.494 0.000 1.029 217 V CA -0.519 61.367 62.300 -0.690 0.000 0.870 217 V CB 1.274 32.130 31.823 -1.612 0.000 0.984 217 V HN 0.568 nan 8.190 nan 0.000 0.451 218 T N 7.203 121.581 114.554 -0.293 0.000 2.728 218 T HA 0.527 4.880 4.350 0.004 0.000 0.296 218 T C -0.079 174.479 174.700 -0.236 0.000 0.940 218 T CA -0.157 61.858 62.100 -0.142 0.000 1.013 218 T CB 0.282 69.150 68.868 0.000 0.000 0.912 218 T HN 0.337 nan 8.240 nan 0.000 0.484 219 L N 3.202 124.230 121.223 -0.325 0.000 2.334 219 L HA 0.371 4.714 4.340 0.004 0.000 0.277 219 L C 0.756 177.505 176.870 -0.201 0.000 1.075 219 L CA -0.751 53.791 54.840 -0.496 0.000 0.804 219 L CB 0.875 42.448 42.059 -0.810 0.000 1.174 219 L HN 0.528 nan 8.230 nan 0.000 0.438 220 T N 3.636 118.280 114.554 0.151 0.000 2.729 220 T HA 0.240 4.593 4.350 0.004 0.000 0.296 220 T C -2.350 172.397 174.700 0.077 0.000 0.928 220 T CA -1.191 60.973 62.100 0.108 0.000 1.045 220 T CB 0.756 69.690 68.868 0.110 0.000 0.902 220 T HN 0.295 nan 8.240 nan 0.000 0.500 221 P HA 0.142 nan 4.420 nan 0.000 0.264 221 P C 1.127 178.496 177.300 0.116 0.000 1.183 221 P CA 0.780 63.966 63.100 0.143 0.000 0.763 221 P CB 0.237 32.066 31.700 0.215 0.000 0.807 222 G N 0.984 109.869 108.800 0.142 0.000 2.168 222 G HA2 -0.236 3.727 3.960 0.004 0.000 0.263 222 G HA3 -0.236 3.727 3.960 0.004 0.000 0.263 222 G C 0.178 175.105 174.900 0.046 0.000 0.977 222 G CA 0.120 45.275 45.100 0.093 0.000 0.659 222 G HN 0.488 nan 8.290 nan 0.000 0.533 223 K N 0.064 120.479 120.400 0.025 0.000 2.098 223 K HA 0.567 4.890 4.320 0.004 0.000 0.258 223 K C 0.568 177.073 176.600 -0.159 0.000 0.973 223 K CA -0.761 55.451 56.287 -0.124 0.000 0.898 223 K CB 1.030 33.357 32.500 -0.289 0.000 1.057 223 K HN 0.328 nan 8.250 nan 0.000 0.447 224 R N 1.687 122.085 120.500 -0.170 0.000 2.229 224 R HA 0.286 4.629 4.340 0.004 0.000 0.328 224 R C -0.620 175.600 176.300 -0.133 0.000 1.009 224 R CA -0.521 55.555 56.100 -0.039 0.000 0.864 224 R CB 0.524 30.859 30.300 0.058 0.000 1.085 224 R HN 0.492 nan 8.270 nan 0.000 0.453 225 H N 0.872 119.953 119.070 0.019 0.000 2.489 225 H HA 0.288 4.847 4.556 0.005 0.000 0.343 225 H C -0.470 174.785 175.328 -0.123 0.000 1.086 225 H CA -0.869 55.162 56.048 -0.028 0.000 1.198 225 H CB 1.451 31.175 29.762 -0.063 0.000 1.490 225 H HN 0.278 nan 8.280 nan 0.000 0.504 226 R N 2.934 123.339 120.500 -0.158 0.000 2.265 226 R HA 0.410 4.753 4.340 0.004 0.000 0.314 226 R C -1.321 174.880 176.300 -0.165 0.000 1.053 226 R CA -0.805 55.093 56.100 -0.336 0.000 0.931 226 R CB 0.401 30.212 30.300 -0.814 0.000 1.024 226 R HN 0.503 nan 8.270 nan 0.000 0.457 227 L N 4.338 125.485 121.223 -0.126 0.000 2.362 227 L HA 0.473 4.816 4.340 0.004 0.000 0.275 227 L C -0.914 175.922 176.870 -0.056 0.000 0.998 227 L CA -0.433 54.342 54.840 -0.109 0.000 0.820 227 L CB 1.744 43.725 42.059 -0.129 0.000 1.270 227 L HN 0.634 nan 8.230 nan 0.000 0.415 228 R N 6.357 126.840 120.500 -0.028 0.000 2.346 228 R HA 0.517 4.860 4.340 0.004 0.000 0.309 228 R C -0.940 175.387 176.300 0.045 0.000 1.119 228 R CA -0.317 55.783 56.100 -0.001 0.000 1.112 228 R CB 0.393 30.684 30.300 -0.016 0.000 1.132 228 R HN 0.566 nan 8.270 nan 0.000 0.538 229 I N 4.483 125.094 120.570 0.069 0.000 2.365 229 I HA 0.249 4.422 4.170 0.004 0.000 0.291 229 I C -0.376 175.720 176.117 -0.036 0.000 1.004 229 I CA -0.655 60.703 61.300 0.097 0.000 1.311 229 I CB 0.813 38.922 38.000 0.181 0.000 1.401 229 I HN 0.247 nan 8.210 nan 0.000 0.491 230 L N 5.767 126.910 121.223 -0.132 0.000 2.354 230 L HA 0.480 4.823 4.340 0.004 0.000 0.264 230 L C -0.255 176.404 176.870 -0.352 0.000 1.008 230 L CA -0.576 54.076 54.840 -0.313 0.000 0.819 230 L CB 1.392 43.196 42.059 -0.426 0.000 1.339 230 L HN 0.431 nan 8.230 nan 0.000 0.420 231 N N 0.075 118.480 118.700 -0.493 0.000 2.558 231 N HA 0.240 4.983 4.740 0.004 0.000 0.242 231 N C 0.055 175.079 175.510 -0.810 0.000 0.979 231 N CA -0.291 52.495 53.050 -0.440 0.000 0.931 231 N CB 1.100 39.360 38.487 -0.378 0.000 1.122 231 N HN 0.729 nan 8.380 nan 0.000 0.508 232 T N -0.729 113.383 114.554 -0.738 0.000 3.273 232 T HA 0.256 4.609 4.350 0.004 0.000 0.254 232 T C 0.506 175.002 174.700 -0.341 0.000 1.002 232 T CA -0.431 61.061 62.100 -1.013 0.000 0.913 232 T CB -0.333 68.093 68.868 -0.736 0.000 1.056 232 T HN 0.158 nan 8.240 nan 0.000 0.576 233 S N 2.106 117.657 115.700 -0.249 0.000 2.596 233 S HA 0.248 4.720 4.470 0.004 0.000 0.260 233 S C 1.773 176.375 174.600 0.002 0.000 1.336 233 S CA 0.031 58.188 58.200 -0.071 0.000 0.993 233 S CB 0.950 64.032 63.200 -0.195 0.000 0.923 233 S HN 0.726 nan 8.310 nan 0.000 0.567 234 T N -1.469 113.025 114.554 -0.101 0.000 3.044 234 T HA 0.175 4.527 4.350 0.004 0.000 0.255 234 T C 1.092 175.506 174.700 -0.476 0.000 1.073 234 T CA 0.393 62.247 62.100 -0.409 0.000 1.125 234 T CB 0.084 68.501 68.868 -0.751 0.000 0.908 234 T HN 0.605 nan 8.240 nan 0.000 0.480 235 E N 0.934 120.994 120.200 -0.234 0.000 2.661 235 E HA 0.123 4.475 4.350 0.004 0.000 0.202 235 E C -0.279 176.308 176.600 -0.023 0.000 0.911 235 E CA -0.141 56.162 56.400 -0.161 0.000 1.581 235 E CB 0.118 29.803 29.700 -0.025 0.000 1.667 235 E HN 0.458 nan 8.360 nan 0.000 0.911 236 N N 1.143 119.808 118.700 -0.060 0.000 2.454 236 N HA 0.020 4.763 4.740 0.004 0.000 0.260 236 N C -0.840 174.309 175.510 -0.602 0.000 1.218 236 N CA 0.275 53.224 53.050 -0.169 0.000 0.904 236 N CB 0.285 38.656 38.487 -0.193 0.000 1.065 236 N HN 0.130 nan 8.380 nan 0.000 0.462 237 H N 1.646 120.404 119.070 -0.519 0.000 2.457 237 H HA 0.406 4.964 4.556 0.004 0.000 0.335 237 H C -0.841 174.078 175.328 -0.682 0.000 1.115 237 H CA -0.211 55.450 56.048 -0.645 0.000 1.219 237 H CB 0.564 30.217 29.762 -0.181 0.000 1.471 237 H HN 0.329 nan 8.280 nan 0.000 0.491 238 F N 0.834 120.517 119.950 -0.444 0.000 2.508 238 F HA 0.402 4.931 4.527 0.004 0.000 0.325 238 F C 0.156 175.678 175.800 -0.464 0.000 1.090 238 F CA -0.956 56.733 58.000 -0.519 0.000 0.945 238 F CB 1.599 40.328 39.000 -0.451 0.000 1.156 238 F HN 0.406 nan 8.300 nan 0.000 0.463 239 Q N 2.078 121.786 119.800 -0.154 0.000 2.256 239 Q HA 0.700 5.043 4.340 0.004 0.000 0.257 239 Q C -0.937 174.920 176.000 -0.239 0.000 0.936 239 Q CA -1.050 54.649 55.803 -0.174 0.000 0.903 239 Q CB 2.692 31.389 28.738 -0.068 0.000 1.263 239 Q HN 0.558 nan 8.270 nan 0.000 0.440 240 V N -1.041 118.711 119.914 -0.271 0.000 2.769 240 V HA 0.966 5.088 4.120 0.004 0.000 0.312 240 V C -0.583 175.256 176.094 -0.426 0.000 1.061 240 V CA -0.632 61.413 62.300 -0.425 0.000 0.931 240 V CB 1.857 33.467 31.823 -0.354 0.000 1.010 240 V HN 0.882 nan 8.190 nan 0.000 0.433 241 S N 3.379 118.702 115.700 -0.629 0.000 2.552 241 S HA 0.738 5.211 4.470 0.004 0.000 0.272 241 S C -1.558 172.749 174.600 -0.488 0.000 1.150 241 S CA -0.728 57.224 58.200 -0.412 0.000 0.849 241 S CB 1.628 64.702 63.200 -0.211 0.000 1.113 241 S HN 1.758 nan 8.310 nan 0.000 0.458 242 L N 2.470 123.522 121.223 -0.285 0.000 2.325 242 L HA 0.669 5.011 4.340 0.004 0.000 0.281 242 L C -0.719 176.133 176.870 -0.029 0.000 1.004 242 L CA -0.641 54.073 54.840 -0.211 0.000 0.823 242 L CB 1.599 43.446 42.059 -0.352 0.000 1.236 242 L HN 0.738 nan 8.230 nan 0.000 0.415 243 V N 6.814 126.785 119.914 0.094 0.000 2.644 243 V HA 0.032 4.155 4.120 0.004 0.000 0.305 243 V C 1.382 177.612 176.094 0.227 0.000 1.053 243 V CA 0.743 63.156 62.300 0.189 0.000 1.186 243 V CB 0.078 32.084 31.823 0.304 0.000 0.895 243 V HN 1.063 nan 8.190 nan 0.000 0.490 244 N N 1.635 120.397 118.700 0.104 0.000 2.936 244 N HA -0.176 4.566 4.740 0.004 0.000 0.236 244 N C -0.046 175.316 175.510 -0.247 0.000 0.930 244 N CA 1.346 54.368 53.050 -0.047 0.000 0.966 244 N CB -0.616 37.846 38.487 -0.042 0.000 1.090 244 N HN 0.920 nan 8.380 nan 0.000 0.592 245 H N -0.640 118.333 119.070 -0.161 0.000 2.679 245 H HA 0.487 5.046 4.556 0.005 0.000 0.367 245 H C 0.371 175.631 175.328 -0.112 0.000 1.162 245 H CA 0.231 56.185 56.048 -0.157 0.000 1.181 245 H CB 1.598 31.235 29.762 -0.208 0.000 1.693 245 H HN 0.105 nan 8.280 nan 0.000 0.538 246 T N -0.500 114.070 114.554 0.027 0.000 2.912 246 T HA 0.675 5.028 4.350 0.004 0.000 0.280 246 T C 0.010 174.709 174.700 -0.002 0.000 0.989 246 T CA -1.007 61.091 62.100 -0.003 0.000 0.995 246 T CB 0.977 69.837 68.868 -0.013 0.000 1.077 246 T HN 0.404 nan 8.240 nan 0.000 0.531 247 M N 1.213 120.798 119.600 -0.026 0.000 2.395 247 M HA 0.378 4.861 4.480 0.004 0.000 0.307 247 M C -0.894 175.389 176.300 -0.029 0.000 1.091 247 M CA -0.642 54.640 55.300 -0.031 0.000 0.919 247 M CB 2.750 35.318 32.600 -0.052 0.000 1.662 247 M HN 0.624 nan 8.290 nan 0.000 0.440 248 T N 2.539 117.085 114.554 -0.014 0.000 2.770 248 T HA 0.381 4.734 4.350 0.004 0.000 0.297 248 T C -0.069 174.626 174.700 -0.007 0.000 0.997 248 T CA -0.512 61.585 62.100 -0.006 0.000 0.949 248 T CB 0.637 69.514 68.868 0.015 0.000 0.941 248 T HN 0.383 nan 8.240 nan 0.000 0.457 249 V N 5.869 125.771 119.914 -0.020 0.000 2.529 249 V HA 0.114 4.237 4.120 0.004 0.000 0.292 249 V C 1.425 177.544 176.094 0.042 0.000 1.028 249 V CA 0.347 62.648 62.300 0.002 0.000 1.074 249 V CB 0.013 31.820 31.823 -0.027 0.000 0.958 249 V HN 0.904 nan 8.190 nan 0.000 0.481 250 I N 1.855 122.456 120.570 0.053 0.000 4.227 250 I HA 0.751 4.924 4.170 0.004 0.000 0.334 250 I C 0.598 176.751 176.117 0.059 0.000 1.341 250 I CA 0.104 61.439 61.300 0.058 0.000 1.123 250 I CB 0.496 38.527 38.000 0.052 0.000 1.097 250 I HN 0.532 nan 8.210 nan 0.000 0.399 251 A N 1.326 124.191 122.820 0.074 0.000 2.604 251 A HA 0.877 5.200 4.320 0.004 0.000 0.295 251 A C -1.331 176.305 177.584 0.085 0.000 1.067 251 A CA -0.170 51.890 52.037 0.038 0.000 0.683 251 A CB 1.359 20.334 19.000 -0.041 0.000 1.281 251 A HN 0.348 nan 8.150 nan 0.000 0.407 252 A N 1.903 124.724 122.820 0.001 0.000 2.330 252 A HA 0.726 5.049 4.320 0.004 0.000 0.313 252 A C 0.147 177.605 177.584 -0.211 0.000 1.124 252 A CA 0.115 52.068 52.037 -0.140 0.000 0.774 252 A CB 0.178 19.173 19.000 -0.007 0.000 1.198 252 A HN 1.149 nan 8.150 nan 0.000 0.465 253 D N 0.772 120.983 120.400 -0.314 0.000 3.574 253 D HA -0.270 4.373 4.640 0.004 0.000 0.153 253 D C 0.662 176.847 176.300 -0.192 0.000 0.965 253 D CA 2.027 55.896 54.000 -0.218 0.000 1.047 253 D CB -0.507 40.203 40.800 -0.150 0.000 0.492 253 D HN 0.626 nan 8.370 nan 0.000 0.492 254 M N 0.569 120.050 119.600 -0.198 0.000 2.738 254 M HA 0.230 4.713 4.480 0.004 0.000 0.295 254 M C -0.727 175.345 176.300 -0.381 0.000 1.266 254 M CA 0.047 55.168 55.300 -0.299 0.000 0.985 254 M CB 0.541 32.935 32.600 -0.342 0.000 1.365 254 M HN -0.005 nan 8.290 nan 0.000 0.492 255 V N 1.406 121.170 119.914 -0.249 0.000 2.350 255 V HA 0.360 4.483 4.120 0.004 0.000 0.285 255 V C -2.358 173.651 176.094 -0.141 0.000 1.014 255 V CA -1.851 60.334 62.300 -0.191 0.000 0.831 255 V CB 1.080 32.885 31.823 -0.030 0.000 1.000 255 V HN 0.170 nan 8.190 nan 0.000 0.433 256 P HA 0.171 nan 4.420 nan 0.000 0.268 256 P C -0.511 176.810 177.300 0.035 0.000 1.204 256 P CA 0.298 63.368 63.100 -0.049 0.000 0.768 256 P CB 0.772 32.467 31.700 -0.008 0.000 0.842 257 V N 0.441 120.388 119.914 0.055 0.000 3.001 257 V HA 0.560 4.683 4.120 0.004 0.000 0.314 257 V C -0.189 175.949 176.094 0.075 0.000 1.099 257 V CA -1.231 61.113 62.300 0.073 0.000 0.989 257 V CB 1.964 33.838 31.823 0.085 0.000 1.040 257 V HN 0.250 nan 8.190 nan 0.000 0.434 258 N N 1.955 120.698 118.700 0.071 0.000 2.412 258 N HA 0.281 5.023 4.740 0.004 0.000 0.254 258 N C 0.452 175.998 175.510 0.059 0.000 1.232 258 N CA 0.708 53.797 53.050 0.065 0.000 0.880 258 N CB 1.114 39.636 38.487 0.058 0.000 1.076 258 N HN 1.248 nan 8.380 nan 0.000 0.458 259 A N 2.645 125.499 122.820 0.057 0.000 2.567 259 A HA 0.059 4.381 4.320 0.004 0.000 0.240 259 A C 0.450 178.056 177.584 0.037 0.000 1.053 259 A CA 0.444 52.510 52.037 0.049 0.000 0.755 259 A CB -0.189 18.841 19.000 0.050 0.000 0.978 259 A HN 0.759 nan 8.150 nan 0.000 0.507 260 M N 3.755 123.371 119.600 0.026 0.000 2.090 260 M HA 0.251 4.734 4.480 0.004 0.000 0.277 260 M C -0.855 175.442 176.300 -0.005 0.000 0.935 260 M CA -0.141 55.167 55.300 0.013 0.000 0.966 260 M CB 1.412 34.022 32.600 0.016 0.000 1.635 260 M HN 0.658 nan 8.290 nan 0.000 0.446 261 T N 4.454 119.006 114.554 -0.003 0.000 2.832 261 T HA 0.552 4.904 4.350 0.004 0.000 0.296 261 T C -0.220 174.468 174.700 -0.020 0.000 0.968 261 T CA -0.497 61.596 62.100 -0.012 0.000 1.107 261 T CB 0.772 69.638 68.868 -0.003 0.000 0.916 261 T HN 0.589 nan 8.240 nan 0.000 0.517 262 V N 0.273 120.168 119.914 -0.032 0.000 3.159 262 V HA 0.581 4.704 4.120 0.004 0.000 0.308 262 V C -0.270 175.806 176.094 -0.030 0.000 1.190 262 V CA -0.890 61.391 62.300 -0.031 0.000 1.037 262 V CB 2.381 34.176 31.823 -0.046 0.000 1.060 262 V HN 0.581 nan 8.190 nan 0.000 0.437 263 D N 1.106 121.495 120.400 -0.018 0.000 2.301 263 D HA 0.182 4.824 4.640 0.004 0.000 0.206 263 D C 0.852 177.137 176.300 -0.026 0.000 0.979 263 D CA 1.592 55.580 54.000 -0.021 0.000 0.874 263 D CB 0.788 41.580 40.800 -0.013 0.000 0.968 263 D HN 0.923 nan 8.370 nan 0.000 0.510 264 S N -0.702 115.002 115.700 0.007 0.000 2.570 264 S HA 0.669 5.142 4.470 0.004 0.000 0.270 264 S C -1.098 173.488 174.600 -0.023 0.000 1.149 264 S CA -0.956 57.244 58.200 -0.000 0.000 0.837 264 S CB 2.050 65.321 63.200 0.118 0.000 1.124 264 S HN -0.004 nan 8.310 nan 0.000 0.465 265 L N 1.558 122.669 121.223 -0.185 0.000 2.401 265 L HA 0.645 4.987 4.340 0.004 0.000 0.266 265 L C -1.453 175.199 176.870 -0.364 0.000 0.991 265 L CA -0.780 53.894 54.840 -0.276 0.000 0.818 265 L CB 2.142 44.008 42.059 -0.321 0.000 1.321 265 L HN 0.831 nan 8.230 nan 0.000 0.413 266 F N 3.343 123.003 119.950 -0.485 0.000 2.410 266 F HA 0.606 5.135 4.527 0.004 0.000 0.349 266 F C -1.100 174.709 175.800 0.015 0.000 1.117 266 F CA -0.509 57.306 58.000 -0.309 0.000 1.104 266 F CB 0.944 39.804 39.000 -0.233 0.000 1.122 266 F HN 0.150 nan 8.300 nan 0.000 0.483 267 L N 6.749 127.565 121.223 -0.678 0.000 2.319 267 L HA 0.614 4.957 4.340 0.004 0.000 0.281 267 L C 0.181 176.503 176.870 -0.913 0.000 1.005 267 L CA -0.423 54.109 54.840 -0.515 0.000 0.828 267 L CB 1.168 43.094 42.059 -0.222 0.000 1.227 267 L HN 0.793 nan 8.230 nan 0.000 0.415 268 A N 3.005 125.433 122.820 -0.653 0.000 2.386 268 A HA 0.478 4.800 4.320 0.004 0.000 0.246 268 A C 0.221 177.410 177.584 -0.658 0.000 1.089 268 A CA -0.459 51.270 52.037 -0.513 0.000 0.790 268 A CB 0.289 19.301 19.000 0.020 0.000 1.042 268 A HN 0.419 nan 8.150 nan 0.000 0.497 269 V N 1.325 120.703 119.914 -0.892 0.000 2.584 269 V HA 0.339 4.462 4.120 0.004 0.000 0.303 269 V C 1.668 177.434 176.094 -0.546 0.000 1.035 269 V CA 1.936 63.836 62.300 -0.667 0.000 1.172 269 V CB -0.258 31.263 31.823 -0.503 0.000 0.896 269 V HN 1.974 nan 8.190 nan 0.000 0.486 270 G N 3.360 111.742 108.800 -0.697 0.000 2.199 270 G HA2 -0.232 3.730 3.960 0.004 0.000 0.254 270 G HA3 -0.232 3.730 3.960 0.004 0.000 0.254 270 G C 0.214 174.791 174.900 -0.538 0.000 0.982 270 G CA 0.243 44.930 45.100 -0.688 0.000 0.632 270 G HN 0.654 nan 8.290 nan 0.000 0.529 271 Q N -0.137 119.390 119.800 -0.455 0.000 2.354 271 Q HA 0.665 5.008 4.340 0.004 0.000 0.244 271 Q C 0.248 175.985 176.000 -0.437 0.000 0.969 271 Q CA 0.034 55.610 55.803 -0.378 0.000 0.885 271 Q CB 0.609 29.153 28.738 -0.324 0.000 1.241 271 Q HN 0.384 nan 8.270 nan 0.000 0.461 272 R N 0.730 120.973 120.500 -0.429 0.000 2.744 272 R HA 0.515 4.858 4.340 0.004 0.000 0.279 272 R C -1.666 174.360 176.300 -0.456 0.000 0.977 272 R CA -0.522 55.367 56.100 -0.353 0.000 0.906 272 R CB 1.314 31.462 30.300 -0.253 0.000 1.197 272 R HN 0.469 nan 8.270 nan 0.000 0.463 273 Y N -0.001 120.247 120.300 -0.085 0.000 2.386 273 Y HA 0.310 4.863 4.550 0.004 0.000 0.334 273 Y C -0.792 175.077 175.900 -0.051 0.000 1.002 273 Y CA -1.124 56.943 58.100 -0.054 0.000 1.068 273 Y CB 2.123 40.562 38.460 -0.035 0.000 1.203 273 Y HN 0.537 nan 8.280 nan 0.000 0.443 274 D N 2.802 123.268 120.400 0.110 0.000 2.280 274 D HA 0.488 5.131 4.640 0.004 0.000 0.243 274 D C -0.676 175.643 176.300 0.033 0.000 1.129 274 D CA -0.115 53.902 54.000 0.029 0.000 0.848 274 D CB 1.150 41.936 40.800 -0.024 0.000 1.107 274 D HN 0.324 nan 8.370 nan 0.000 0.471 275 V N -0.096 119.816 119.914 -0.003 0.000 2.960 275 V HA 0.733 4.856 4.120 0.004 0.000 0.315 275 V C -0.547 175.513 176.094 -0.058 0.000 1.087 275 V CA -0.867 61.422 62.300 -0.018 0.000 0.982 275 V CB 2.017 33.836 31.823 -0.008 0.000 1.039 275 V HN 0.200 nan 8.190 nan 0.000 0.437 276 V N 3.998 123.890 119.914 -0.036 0.000 2.417 276 V HA 0.550 4.673 4.120 0.004 0.000 0.291 276 V C -0.210 175.895 176.094 0.018 0.000 1.024 276 V CA -0.274 62.012 62.300 -0.022 0.000 0.861 276 V CB 1.319 33.148 31.823 0.010 0.000 0.985 276 V HN 0.788 nan 8.190 nan 0.000 0.436 277 I N 3.998 124.596 120.570 0.047 0.000 2.406 277 I HA 0.409 4.582 4.170 0.004 0.000 0.290 277 I C -0.759 175.447 176.117 0.149 0.000 0.999 277 I CA -0.542 60.794 61.300 0.060 0.000 1.124 277 I CB 1.867 39.858 38.000 -0.015 0.000 1.289 277 I HN 0.516 nan 8.210 nan 0.000 0.441 278 D N 6.253 126.736 120.400 0.137 0.000 2.280 278 D HA 0.271 4.914 4.640 0.004 0.000 0.243 278 D C 0.207 176.625 176.300 0.197 0.000 1.129 278 D CA -0.224 53.870 54.000 0.156 0.000 0.848 278 D CB 2.015 42.875 40.800 0.100 0.000 1.107 278 D HN 0.536 nan 8.370 nan 0.000 0.471 279 A N 1.796 124.735 122.820 0.199 0.000 3.063 279 A HA 0.216 4.539 4.320 0.004 0.000 0.263 279 A C 1.033 178.811 177.584 0.323 0.000 1.736 279 A CA -0.363 51.767 52.037 0.155 0.000 1.408 279 A CB -0.502 18.423 19.000 -0.126 0.000 1.108 279 A HN 0.398 nan 8.150 nan 0.000 0.621 280 S N -0.173 115.680 115.700 0.255 0.000 2.593 280 S HA 0.258 4.731 4.470 0.004 0.000 0.236 280 S C 0.643 175.271 174.600 0.047 0.000 0.991 280 S CA -0.572 57.709 58.200 0.134 0.000 0.963 280 S CB 0.371 63.608 63.200 0.062 0.000 0.865 280 S HN 0.517 nan 8.310 nan 0.000 0.488 281 R N 1.665 122.185 120.500 0.033 0.000 2.606 281 R HA 0.714 5.057 4.340 0.004 0.000 0.249 281 R C 0.295 176.475 176.300 -0.201 0.000 1.127 281 R CA -0.403 55.595 56.100 -0.170 0.000 1.133 281 R CB -0.216 29.805 30.300 -0.465 0.000 1.243 281 R HN 0.284 nan 8.270 nan 0.000 0.558 282 A N 2.385 125.103 122.820 -0.169 0.000 2.546 282 A HA 0.209 4.532 4.320 0.004 0.000 0.243 282 A C -1.929 175.407 177.584 -0.414 0.000 1.063 282 A CA -0.694 51.233 52.037 -0.183 0.000 0.757 282 A CB -0.726 18.219 19.000 -0.093 0.000 0.991 282 A HN 0.284 nan 8.150 nan 0.000 0.503 283 P HA 0.238 nan 4.420 nan 0.000 0.262 283 P C -0.466 176.643 177.300 -0.319 0.000 1.199 283 P CA 0.599 63.417 63.100 -0.470 0.000 0.763 283 P CB 0.570 32.200 31.700 -0.117 0.000 0.790 284 D N 1.993 122.211 120.400 -0.304 0.000 2.769 284 D HA 0.156 4.798 4.640 0.004 0.000 0.309 284 D C -1.311 174.861 176.300 -0.213 0.000 1.315 284 D CA -0.473 53.337 54.000 -0.317 0.000 0.780 284 D CB 0.960 41.411 40.800 -0.581 0.000 1.312 284 D HN 0.093 nan 8.370 nan 0.000 0.437 285 N N 0.796 119.291 118.700 -0.341 0.000 2.419 285 N HA 0.367 5.109 4.740 0.004 0.000 0.277 285 N C -1.048 174.165 175.510 -0.496 0.000 1.006 285 N CA -0.068 52.847 53.050 -0.224 0.000 0.923 285 N CB 1.020 39.388 38.487 -0.198 0.000 1.140 285 N HN 0.252 nan 8.380 nan 0.000 0.488 286 Y N -0.064 120.210 120.300 -0.044 0.000 2.446 286 Y HA 0.334 4.886 4.550 0.004 0.000 0.345 286 Y C -0.125 175.766 175.900 -0.015 0.000 0.984 286 Y CA -0.910 57.168 58.100 -0.036 0.000 1.058 286 Y CB 1.352 39.875 38.460 0.104 0.000 1.220 286 Y HN 0.418 nan 8.280 nan 0.000 0.455 287 W N 3.370 124.783 121.300 0.188 0.000 2.238 287 W HA 0.277 4.940 4.660 0.005 0.000 0.321 287 W C -0.549 176.054 176.519 0.140 0.000 1.293 287 W CA -0.470 56.952 57.345 0.128 0.000 1.204 287 W CB 0.497 29.979 29.460 0.038 0.000 1.167 287 W HN 0.389 nan 8.180 nan 0.000 0.553 288 F N 4.674 124.827 119.950 0.338 0.000 2.361 288 F HA 0.359 4.888 4.527 0.004 0.000 0.364 288 F C -0.431 175.449 175.800 0.134 0.000 1.120 288 F CA -0.769 57.301 58.000 0.116 0.000 1.102 288 F CB 0.106 39.225 39.000 0.197 0.000 1.183 288 F HN 0.243 nan 8.300 nan 0.000 0.476 289 N N 4.092 122.636 118.700 -0.259 0.000 2.421 289 N HA 0.468 5.211 4.740 0.004 0.000 0.285 289 N C -1.333 173.970 175.510 -0.345 0.000 1.027 289 N CA -0.579 52.357 53.050 -0.190 0.000 0.918 289 N CB 2.100 40.502 38.487 -0.141 0.000 1.152 289 N HN 0.292 nan 8.380 nan 0.000 0.485 290 V N 1.937 121.710 119.914 -0.235 0.000 2.383 290 V HA 0.472 4.594 4.120 0.004 0.000 0.275 290 V C 0.313 176.231 176.094 -0.294 0.000 1.036 290 V CA -0.298 61.800 62.300 -0.337 0.000 0.889 290 V CB 0.720 32.276 31.823 -0.445 0.000 0.985 290 V HN 0.874 nan 8.190 nan 0.000 0.459 291 T N 1.928 116.284 114.554 -0.329 0.000 2.916 291 T HA 0.782 5.135 4.350 0.004 0.000 0.292 291 T C -0.970 173.485 174.700 -0.410 0.000 1.064 291 T CA -0.641 61.321 62.100 -0.232 0.000 1.011 291 T CB 1.789 70.617 68.868 -0.067 0.000 1.152 291 T HN 0.116 nan 8.240 nan 0.000 0.510 292 F N -0.084 119.890 119.950 0.039 0.000 2.495 292 F HA 0.761 5.291 4.527 0.005 0.000 0.327 292 F C 0.902 176.743 175.800 0.068 0.000 1.103 292 F CA -0.312 57.719 58.000 0.051 0.000 0.949 292 F CB 2.325 41.300 39.000 -0.043 0.000 1.142 292 F HN 1.084 nan 8.300 nan 0.000 0.457 293 G N -0.254 108.703 108.800 0.262 0.000 3.211 293 G HA2 0.483 4.446 3.960 0.004 0.000 0.262 293 G HA3 0.483 4.446 3.960 0.004 0.000 0.262 293 G C 0.460 175.449 174.900 0.148 0.000 1.352 293 G CA -0.618 44.592 45.100 0.182 0.000 1.004 293 G HN 1.223 nan 8.290 nan 0.000 0.559 294 G N -1.147 107.702 108.800 0.082 0.000 2.198 294 G HA2 -0.109 3.854 3.960 0.004 0.000 0.260 294 G HA3 -0.109 3.854 3.960 0.004 0.000 0.260 294 G C 0.512 175.449 174.900 0.061 0.000 1.025 294 G CA 0.995 46.123 45.100 0.046 0.000 0.769 294 G HN 1.542 nan 8.290 nan 0.000 0.507 295 Q N -3.241 116.604 119.800 0.076 0.000 2.451 295 Q HA -0.012 4.331 4.340 0.004 0.000 0.305 295 Q C 1.490 177.545 176.000 0.091 0.000 1.345 295 Q CA 2.193 58.042 55.803 0.077 0.000 0.854 295 Q CB -2.202 26.569 28.738 0.056 0.000 1.162 295 Q HN 2.365 nan 8.270 nan 0.000 0.440 296 A N -1.950 120.933 122.820 0.104 0.000 2.945 296 A HA -0.220 4.103 4.320 0.004 0.000 0.263 296 A C 1.676 179.317 177.584 0.096 0.000 1.293 296 A CA 1.828 53.930 52.037 0.109 0.000 0.944 296 A CB -1.943 17.203 19.000 0.243 0.000 1.093 296 A HN 1.523 nan 8.150 nan 0.000 0.786 297 A N -1.062 121.796 122.820 0.064 0.000 2.067 297 A HA 0.137 4.460 4.320 0.004 0.000 0.219 297 A C 1.735 179.311 177.584 -0.015 0.000 1.158 297 A CA 1.932 53.992 52.037 0.038 0.000 0.661 297 A CB -0.950 18.062 19.000 0.020 0.000 0.801 297 A HN 2.151 nan 8.150 nan 0.000 0.452 298 c N -3.255 115.324 118.600 -0.035 0.000 2.913 298 c HA 0.660 5.233 4.570 0.004 0.000 0.246 298 c C 0.779 174.876 174.090 0.011 0.000 1.857 298 c CA -0.547 55.677 56.329 -0.175 0.000 1.690 298 c CB -0.940 41.268 42.510 -0.502 0.000 3.235 298 c HN 1.688 nan 8.230 nan 0.000 0.475 299 G N -0.499 108.312 108.800 0.017 0.000 2.479 299 G HA2 0.505 4.468 3.960 0.004 0.000 0.686 299 G HA3 0.505 4.468 3.960 0.004 0.000 0.686 299 G C -0.487 174.022 174.900 -0.653 0.000 1.295 299 G CA 0.000 45.039 45.100 -0.101 0.000 0.922 299 G HN 1.991 nan 8.290 nan 0.000 0.582 300 G N -1.480 106.492 108.800 -1.379 0.000 2.608 300 G HA2 0.884 4.847 3.960 0.004 0.000 0.291 300 G HA3 0.884 4.847 3.960 0.004 0.000 0.291 300 G C -0.961 172.757 174.900 -1.970 0.000 1.425 300 G CA 0.879 44.358 45.100 -2.702 0.000 0.787 300 G HN 1.848 nan 8.290 nan 0.000 0.484 301 S N -1.292 113.547 115.700 -1.436 0.000 2.548 301 S HA 0.511 4.984 4.470 0.004 0.000 0.286 301 S C 0.943 175.484 174.600 -0.098 0.000 1.098 301 S CA -0.755 57.178 58.200 -0.446 0.000 0.930 301 S CB 1.478 64.617 63.200 -0.101 0.000 1.070 301 S HN 0.507 nan 8.310 nan 0.000 0.480 302 L N 2.150 123.400 121.223 0.045 0.000 2.478 302 L HA 0.158 4.501 4.340 0.004 0.000 0.223 302 L C 0.918 177.808 176.870 0.033 0.000 1.140 302 L CA 0.252 55.144 54.840 0.087 0.000 0.842 302 L CB -0.350 41.745 42.059 0.061 0.000 0.953 302 L HN 0.520 nan 8.230 nan 0.000 0.452 303 N N 1.561 120.265 118.700 0.008 0.000 2.401 303 N HA 0.072 4.815 4.740 0.004 0.000 0.255 303 N C -1.535 173.957 175.510 -0.030 0.000 1.110 303 N CA -1.884 51.171 53.050 0.009 0.000 0.949 303 N CB 1.250 39.749 38.487 0.020 0.000 1.110 303 N HN -0.076 nan 8.380 nan 0.000 0.490 304 P HA -0.056 nan 4.420 nan 0.000 0.223 304 P C -0.588 176.350 177.300 -0.602 0.000 1.151 304 P CA 1.272 64.178 63.100 -0.322 0.000 0.787 304 P CB 0.278 31.770 31.700 -0.347 0.000 0.788 305 H N -0.923 118.146 119.070 -0.001 0.000 2.490 305 H HA 0.327 4.886 4.556 0.005 0.000 0.230 305 H C -2.520 172.767 175.328 -0.069 0.000 1.417 305 H CA -1.942 54.069 56.048 -0.062 0.000 1.449 305 H CB 0.507 30.181 29.762 -0.145 0.000 1.649 305 H HN 0.168 nan 8.280 nan 0.000 0.519 306 P HA 0.384 nan 4.420 nan 0.000 0.271 306 P C -0.374 176.943 177.300 0.027 0.000 1.216 306 P CA -0.080 63.033 63.100 0.022 0.000 0.776 306 P CB 1.357 33.037 31.700 -0.034 0.000 0.881 307 A N 1.393 124.294 122.820 0.136 0.000 2.601 307 A HA 0.804 5.127 4.320 0.004 0.000 0.291 307 A C -1.632 176.226 177.584 0.457 0.000 1.075 307 A CA -0.314 51.866 52.037 0.240 0.000 0.671 307 A CB 1.233 20.235 19.000 0.004 0.000 1.277 307 A HN 0.564 nan 8.150 nan 0.000 0.417 308 A N -0.045 123.119 122.820 0.573 0.000 2.485 308 A HA 0.872 5.195 4.320 0.004 0.000 0.292 308 A C -1.065 176.875 177.584 0.593 0.000 1.147 308 A CA -0.527 51.841 52.037 0.551 0.000 0.750 308 A CB 0.905 20.207 19.000 0.503 0.000 1.331 308 A HN 0.874 nan 8.150 nan 0.000 0.419 309 I N 0.671 121.470 120.570 0.382 0.000 2.378 309 I HA 0.357 4.529 4.170 0.004 0.000 0.291 309 I C -1.405 174.853 176.117 0.235 0.000 0.992 309 I CA -0.163 61.262 61.300 0.209 0.000 1.154 309 I CB 1.318 39.310 38.000 -0.014 0.000 1.315 309 I HN 0.464 nan 8.210 nan 0.000 0.448 310 F N 4.917 124.900 119.950 0.054 0.000 2.388 310 F HA 0.296 4.826 4.527 0.004 0.000 0.358 310 F C 0.222 176.088 175.800 0.110 0.000 1.122 310 F CA -0.594 57.414 58.000 0.013 0.000 1.056 310 F CB 0.579 39.546 39.000 -0.054 0.000 1.155 310 F HN 0.405 nan 8.300 nan 0.000 0.461 311 H N 3.325 122.411 119.070 0.027 0.000 2.504 311 H HA 0.370 4.929 4.556 0.005 0.000 0.322 311 H C -1.319 174.069 175.328 0.100 0.000 1.055 311 H CA -0.665 55.424 56.048 0.069 0.000 1.231 311 H CB 0.552 30.298 29.762 -0.027 0.000 1.417 311 H HN 0.428 nan 8.280 nan 0.000 0.472 312 Y N 3.503 123.580 120.300 -0.372 0.000 2.496 312 Y HA 0.251 4.804 4.550 0.004 0.000 0.334 312 Y C 0.804 176.379 175.900 -0.541 0.000 1.080 312 Y CA 0.118 58.041 58.100 -0.296 0.000 1.355 312 Y CB 0.304 38.699 38.460 -0.109 0.000 1.193 312 Y HN 0.833 nan 8.280 nan 0.000 0.523 313 A N 3.053 125.789 122.820 -0.140 0.000 2.566 313 A HA 0.377 4.700 4.320 0.004 0.000 0.245 313 A C 1.459 179.042 177.584 -0.000 0.000 1.056 313 A CA 0.929 52.954 52.037 -0.020 0.000 0.757 313 A CB -0.885 18.136 19.000 0.035 0.000 0.979 313 A HN 1.496 nan 8.150 nan 0.000 0.508 314 G N 0.909 109.738 108.800 0.048 0.000 2.234 314 G HA2 0.153 4.116 3.960 0.004 0.000 0.235 314 G HA3 0.153 4.116 3.960 0.004 0.000 0.235 314 G C 0.665 175.582 174.900 0.028 0.000 0.997 314 G CA 0.479 45.607 45.100 0.047 0.000 0.623 314 G HN 2.179 nan 8.290 nan 0.000 0.514 315 A N 0.932 123.724 122.820 -0.047 0.000 2.313 315 A HA 0.732 5.055 4.320 0.004 0.000 0.261 315 A C -1.323 176.330 177.584 0.115 0.000 1.090 315 A CA -0.447 51.568 52.037 -0.037 0.000 0.807 315 A CB -0.020 18.885 19.000 -0.158 0.000 1.055 315 A HN 0.229 nan 8.150 nan 0.000 0.492 316 P HA 0.273 nan 4.420 nan 0.000 0.270 316 P C 0.604 177.995 177.300 0.152 0.000 1.223 316 P CA 0.335 63.484 63.100 0.080 0.000 0.785 316 P CB 0.437 32.143 31.700 0.009 0.000 0.923 317 G N -0.282 108.552 108.800 0.056 0.000 2.494 317 G HA2 0.534 4.496 3.960 0.004 0.000 0.270 317 G HA3 0.534 4.496 3.960 0.004 0.000 0.270 317 G C 0.177 175.050 174.900 -0.045 0.000 1.423 317 G CA -0.123 44.955 45.100 -0.037 0.000 1.055 317 G HN 0.843 nan 8.290 nan 0.000 0.536 318 G N -2.108 106.650 108.800 -0.071 0.000 2.698 318 G HA2 -0.070 3.892 3.960 0.004 0.000 0.225 318 G HA3 -0.070 3.892 3.960 0.004 0.000 0.225 318 G C -0.274 174.546 174.900 -0.133 0.000 1.345 318 G CA -0.270 44.789 45.100 -0.069 0.000 0.871 318 G HN 0.872 nan 8.290 nan 0.000 0.540 319 L N 1.167 122.298 121.223 -0.153 0.000 2.375 319 L HA 0.436 4.779 4.340 0.004 0.000 0.271 319 L C -1.639 174.951 176.870 -0.467 0.000 1.107 319 L CA -1.792 52.852 54.840 -0.325 0.000 0.806 319 L CB 1.016 42.990 42.059 -0.142 0.000 1.146 319 L HN 0.370 nan 8.230 nan 0.000 0.447 320 P HA -0.013 nan 4.420 nan 0.000 0.267 320 P C 0.427 177.443 177.300 -0.474 0.000 1.201 320 P CA 0.054 62.632 63.100 -0.870 0.000 0.775 320 P CB 0.533 31.258 31.700 -1.625 0.000 0.854 321 T N -3.592 110.794 114.554 -0.280 0.000 2.971 321 T HA 0.092 4.445 4.350 0.004 0.000 0.252 321 T C 0.342 175.042 174.700 0.000 0.000 1.022 321 T CA 0.057 62.105 62.100 -0.086 0.000 0.980 321 T CB -0.141 68.671 68.868 -0.094 0.000 1.044 321 T HN 0.231 nan 8.240 nan 0.000 0.501 322 D N 1.774 122.160 120.400 -0.022 0.000 2.359 322 D HA 0.243 4.886 4.640 0.004 0.000 0.230 322 D C 0.775 177.221 176.300 0.242 0.000 1.118 322 D CA -0.297 53.748 54.000 0.074 0.000 0.844 322 D CB 1.374 42.201 40.800 0.044 0.000 1.059 322 D HN 0.291 nan 8.370 nan 0.000 0.493 323 E N 2.058 122.381 120.200 0.205 0.000 2.274 323 E HA 0.123 4.476 4.350 0.004 0.000 0.194 323 E C 1.210 177.886 176.600 0.127 0.000 0.996 323 E CA 0.425 56.929 56.400 0.174 0.000 0.840 323 E CB 0.033 29.748 29.700 0.024 0.000 0.772 323 E HN 0.754 nan 8.360 nan 0.000 0.491 324 G N 1.177 110.047 108.800 0.117 0.000 2.796 324 G HA2 -0.274 3.689 3.960 0.004 0.000 0.226 324 G HA3 -0.274 3.689 3.960 0.004 0.000 0.226 324 G C 0.056 174.985 174.900 0.049 0.000 1.381 324 G CA -0.170 44.985 45.100 0.091 0.000 0.867 324 G HN 0.245 nan 8.290 nan 0.000 0.552 325 T N -0.322 114.256 114.554 0.039 0.000 2.902 325 T HA 0.732 5.085 4.350 0.004 0.000 0.283 325 T C -1.894 172.818 174.700 0.020 0.000 1.009 325 T CA -0.790 61.325 62.100 0.025 0.000 1.051 325 T CB 1.896 70.776 68.868 0.020 0.000 0.999 325 T HN 0.793 nan 8.240 nan 0.000 0.474 326 P HA 0.245 nan 4.420 nan 0.000 0.265 326 P C -2.219 175.093 177.300 0.020 0.000 1.193 326 P CA -0.868 62.247 63.100 0.025 0.000 0.765 326 P CB -0.440 31.282 31.700 0.036 0.000 0.823 327 P HA 0.047 nan 4.420 nan 0.000 0.274 327 P C -0.039 177.280 177.300 0.031 0.000 1.256 327 P CA -0.402 62.719 63.100 0.034 0.000 0.795 327 P CB 0.562 32.300 31.700 0.064 0.000 1.038 328 V N 1.205 121.115 119.914 -0.006 0.000 2.788 328 V HA -0.061 4.061 4.120 0.004 0.000 0.307 328 V C 0.541 176.601 176.094 -0.057 0.000 1.069 328 V CA 0.291 62.543 62.300 -0.079 0.000 1.173 328 V CB -0.202 31.508 31.823 -0.189 0.000 0.925 328 V HN 0.579 nan 8.190 nan 0.000 0.492 329 D N 5.038 125.411 120.400 -0.044 0.000 2.358 329 D HA 0.045 4.688 4.640 0.004 0.000 0.258 329 D C 1.049 177.306 176.300 -0.071 0.000 1.223 329 D CA 0.237 54.243 54.000 0.010 0.000 0.886 329 D CB 0.375 41.181 40.800 0.010 0.000 1.120 329 D HN 0.728 nan 8.370 nan 0.000 0.482 330 H N 3.175 122.227 119.070 -0.029 0.000 2.555 330 H HA -0.017 4.542 4.556 0.005 0.000 0.269 330 H C 0.457 175.649 175.328 -0.226 0.000 0.988 330 H CA 0.303 56.283 56.048 -0.113 0.000 1.178 330 H CB 0.556 30.268 29.762 -0.084 0.000 1.373 330 H HN 0.515 nan 8.280 nan 0.000 0.588 331 Q N -1.054 118.709 119.800 -0.062 0.000 2.475 331 Q HA -0.179 4.164 4.340 0.004 0.000 0.280 331 Q C 0.519 176.390 176.000 -0.215 0.000 1.234 331 Q CA 0.817 56.560 55.803 -0.099 0.000 0.873 331 Q CB -2.632 26.054 28.738 -0.087 0.000 1.256 331 Q HN 0.719 nan 8.270 nan 0.000 0.475 332 c N -1.557 116.830 118.600 -0.354 0.000 4.356 332 c HA -0.226 4.347 4.570 0.004 0.000 0.296 332 c C 0.605 174.239 174.090 -0.760 0.000 1.424 332 c CA 0.893 56.904 56.329 -0.529 0.000 2.000 332 c CB -2.132 40.271 42.510 -0.178 0.000 1.262 332 c HN 0.490 nan 8.230 nan 0.000 0.789 333 L N 1.368 121.979 121.223 -1.021 0.000 2.410 333 L HA 0.487 4.830 4.340 0.004 0.000 0.270 333 L C 0.135 176.736 176.870 -0.448 0.000 0.983 333 L CA -0.465 54.058 54.840 -0.528 0.000 0.822 333 L CB 1.396 43.305 42.059 -0.250 0.000 1.285 333 L HN 0.247 nan 8.230 nan 0.000 0.409 334 D N 0.272 120.696 120.400 0.041 0.000 2.344 334 D HA 0.047 4.690 4.640 0.004 0.000 0.244 334 D C 0.153 176.568 176.300 0.192 0.000 1.134 334 D CA -0.327 53.867 54.000 0.324 0.000 0.930 334 D CB 1.236 42.290 40.800 0.423 0.000 1.175 334 D HN 0.305 nan 8.370 nan 0.000 0.437 335 T N 0.262 114.955 114.554 0.232 0.000 2.907 335 T HA 0.219 4.572 4.350 0.004 0.000 0.298 335 T C 0.912 175.698 174.700 0.142 0.000 1.017 335 T CA -0.562 61.628 62.100 0.151 0.000 1.118 335 T CB 0.025 68.969 68.868 0.127 0.000 0.948 335 T HN 0.353 nan 8.240 nan 0.000 0.531 336 L N 3.678 124.955 121.223 0.091 0.000 2.741 336 L HA 0.283 4.626 4.340 0.004 0.000 0.237 336 L C 0.983 177.895 176.870 0.071 0.000 1.178 336 L CA -0.115 54.776 54.840 0.085 0.000 0.973 336 L CB 0.106 42.200 42.059 0.058 0.000 1.255 336 L HN 0.578 nan 8.230 nan 0.000 0.498 337 D N 0.121 120.563 120.400 0.070 0.000 2.348 337 D HA -0.003 4.640 4.640 0.004 0.000 0.211 337 D C 1.025 177.364 176.300 0.065 0.000 0.998 337 D CA 0.431 54.464 54.000 0.055 0.000 0.873 337 D CB 0.295 41.118 40.800 0.039 0.000 0.925 337 D HN 0.158 nan 8.370 nan 0.000 0.524 338 V N -0.269 119.700 119.914 0.093 0.000 2.740 338 V HA 0.342 4.464 4.120 0.004 0.000 0.303 338 V C 0.262 176.407 176.094 0.085 0.000 1.054 338 V CA -0.381 61.980 62.300 0.101 0.000 1.106 338 V CB 0.973 32.886 31.823 0.151 0.000 0.957 338 V HN -0.098 nan 8.190 nan 0.000 0.486 339 R N 3.625 124.170 120.500 0.076 0.000 2.468 339 R HA 0.467 4.810 4.340 0.004 0.000 0.302 339 R C -2.972 173.371 176.300 0.071 0.000 1.041 339 R CA -2.172 53.968 56.100 0.067 0.000 0.899 339 R CB 1.689 32.022 30.300 0.055 0.000 1.167 339 R HN 0.541 nan 8.270 nan 0.000 0.483 340 P HA -0.041 nan 4.420 nan 0.000 0.265 340 P C 1.177 178.529 177.300 0.086 0.000 1.187 340 P CA -0.055 63.096 63.100 0.085 0.000 0.766 340 P CB 0.838 32.593 31.700 0.092 0.000 0.820 341 V N 3.114 123.088 119.914 0.100 0.000 2.295 341 V HA -0.151 3.971 4.120 0.004 0.000 0.246 341 V C 1.158 177.314 176.094 0.103 0.000 1.049 341 V CA 1.645 64.008 62.300 0.104 0.000 1.024 341 V CB -0.320 31.578 31.823 0.125 0.000 0.648 341 V HN 0.319 nan 8.190 nan 0.000 0.447 342 V N 3.584 123.570 119.914 0.119 0.000 2.368 342 V HA 0.258 4.381 4.120 0.004 0.000 0.266 342 V C -1.893 174.236 176.094 0.058 0.000 1.045 342 V CA -1.444 60.905 62.300 0.080 0.000 0.899 342 V CB 0.739 32.589 31.823 0.046 0.000 1.006 342 V HN 0.382 nan 8.190 nan 0.000 0.470 343 P HA 0.489 nan 4.420 nan 0.000 0.278 343 P C -0.787 176.543 177.300 0.050 0.000 1.258 343 P CA -0.680 62.448 63.100 0.047 0.000 0.811 343 P CB 1.318 33.041 31.700 0.040 0.000 1.063 344 R N 0.174 120.700 120.500 0.043 0.000 2.795 344 R HA 0.671 5.013 4.340 0.004 0.000 0.275 344 R C -0.702 175.571 176.300 -0.044 0.000 0.981 344 R CA -0.735 55.391 56.100 0.044 0.000 0.917 344 R CB 1.912 32.270 30.300 0.096 0.000 1.202 344 R HN 0.458 nan 8.270 nan 0.000 0.469 345 S N 0.509 116.157 115.700 -0.087 0.000 2.538 345 S HA 0.653 5.125 4.470 0.004 0.000 0.288 345 S C -0.611 173.807 174.600 -0.304 0.000 1.108 345 S CA -0.807 57.307 58.200 -0.142 0.000 0.971 345 S CB 2.097 65.263 63.200 -0.056 0.000 1.041 345 S HN 0.444 nan 8.310 nan 0.000 0.483 346 V N 0.007 119.715 119.914 -0.343 0.000 3.049 346 V HA 0.816 4.939 4.120 0.004 0.000 0.309 346 V C -3.012 173.001 176.094 -0.136 0.000 1.148 346 V CA -2.702 59.364 62.300 -0.389 0.000 0.990 346 V CB 1.777 33.150 31.823 -0.750 0.000 1.039 346 V HN 0.645 nan 8.190 nan 0.000 0.430 347 P HA 0.350 nan 4.420 nan 0.000 0.279 347 P C 0.394 177.714 177.300 0.033 0.000 1.239 347 P CA 0.104 63.206 63.100 0.002 0.000 0.789 347 P CB 1.756 33.459 31.700 0.006 0.000 0.933 348 V N -0.467 119.451 119.914 0.008 0.000 3.562 348 V HA 0.046 4.169 4.120 0.004 0.000 0.270 348 V C 1.818 177.917 176.094 0.009 0.000 1.418 348 V CA 0.526 62.833 62.300 0.012 0.000 1.033 348 V CB -0.859 30.987 31.823 0.039 0.000 0.820 348 V HN 0.446 nan 8.190 nan 0.000 0.441 349 N N 3.283 121.983 118.700 -0.001 0.000 2.289 349 N HA -0.180 4.563 4.740 0.004 0.000 0.184 349 N C 1.577 177.078 175.510 -0.015 0.000 1.016 349 N CA 1.980 55.032 53.050 0.004 0.000 0.872 349 N CB -0.415 38.068 38.487 -0.006 0.000 0.973 349 N HN 0.713 nan 8.380 nan 0.000 0.433 350 S N -0.992 114.672 115.700 -0.060 0.000 2.575 350 S HA 0.116 4.589 4.470 0.004 0.000 0.215 350 S C 0.377 174.874 174.600 -0.173 0.000 0.966 350 S CA -0.870 57.265 58.200 -0.109 0.000 0.911 350 S CB -0.691 62.437 63.200 -0.121 0.000 0.780 350 S HN 0.288 nan 8.310 nan 0.000 0.514 351 F N 3.185 122.953 119.950 -0.304 0.000 2.578 351 F HA 0.429 4.958 4.527 0.004 0.000 0.376 351 F C -0.477 175.198 175.800 -0.208 0.000 1.085 351 F CA -0.330 57.447 58.000 -0.371 0.000 1.260 351 F CB 0.588 39.362 39.000 -0.377 0.000 1.095 351 F HN -0.073 nan 8.300 nan 0.000 0.573 352 V N 6.996 126.210 119.914 -1.166 0.000 2.531 352 V HA 0.212 4.334 4.120 0.004 0.000 0.301 352 V C -0.282 175.081 176.094 -1.217 0.000 1.034 352 V CA -1.401 60.366 62.300 -0.888 0.000 0.865 352 V CB 1.599 33.147 31.823 -0.458 0.000 0.995 352 V HN 0.697 nan 8.190 nan 0.000 0.424 353 K N 5.347 125.258 120.400 -0.815 0.000 2.412 353 K HA 0.356 4.678 4.320 0.004 0.000 0.284 353 K C -0.295 176.140 176.600 -0.276 0.000 1.046 353 K CA 0.030 56.039 56.287 -0.462 0.000 0.999 353 K CB 0.355 32.792 32.500 -0.106 0.000 0.941 353 K HN 0.669 nan 8.250 nan 0.000 0.474 354 R N 3.966 124.332 120.500 -0.224 0.000 2.771 354 R HA 0.235 4.578 4.340 0.004 0.000 0.274 354 R C -2.078 174.193 176.300 -0.047 0.000 0.987 354 R CA -2.141 53.879 56.100 -0.133 0.000 0.908 354 R CB 1.264 31.466 30.300 -0.163 0.000 1.213 354 R HN 0.349 nan 8.270 nan 0.000 0.468 355 P HA -0.210 nan 4.420 nan 0.000 0.216 355 P C 0.409 177.747 177.300 0.063 0.000 1.150 355 P CA 1.426 64.544 63.100 0.030 0.000 0.843 355 P CB 0.124 31.839 31.700 0.024 0.000 0.787 356 D N -1.285 119.138 120.400 0.039 0.000 2.363 356 D HA -0.084 4.558 4.640 0.004 0.000 0.226 356 D C 0.675 177.032 176.300 0.095 0.000 1.020 356 D CA 0.489 54.539 54.000 0.083 0.000 0.892 356 D CB -1.109 39.721 40.800 0.050 0.000 0.900 356 D HN 0.252 nan 8.370 nan 0.000 0.531 357 N N -1.139 117.584 118.700 0.038 0.000 2.194 357 N HA 0.050 4.793 4.740 0.004 0.000 0.231 357 N C -0.839 174.807 175.510 0.227 0.000 1.247 357 N CA -0.374 52.670 53.050 -0.010 0.000 0.884 357 N CB 0.301 38.653 38.487 -0.226 0.000 1.146 357 N HN -0.158 nan 8.380 nan 0.000 0.516 358 T N 1.209 115.900 114.554 0.229 0.000 2.807 358 T HA 0.489 4.841 4.350 0.004 0.000 0.279 358 T C -0.519 174.327 174.700 0.242 0.000 0.993 358 T CA -0.486 61.743 62.100 0.215 0.000 0.970 358 T CB 1.554 70.497 68.868 0.125 0.000 0.950 358 T HN 0.070 nan 8.240 nan 0.000 0.441 359 L N 5.529 126.905 121.223 0.255 0.000 2.356 359 L HA 0.355 4.698 4.340 0.004 0.000 0.264 359 L C -2.443 174.529 176.870 0.170 0.000 1.029 359 L CA -2.124 52.844 54.840 0.213 0.000 0.897 359 L CB 1.177 43.394 42.059 0.262 0.000 1.256 359 L HN 0.319 nan 8.230 nan 0.000 0.444 360 P HA 0.151 nan 4.420 nan 0.000 0.282 360 P C -0.355 177.003 177.300 0.097 0.000 1.274 360 P CA -0.180 62.991 63.100 0.118 0.000 0.770 360 P CB 1.305 33.063 31.700 0.097 0.000 0.867 361 V N 3.415 123.390 119.914 0.102 0.000 2.509 361 V HA 0.692 4.815 4.120 0.004 0.000 0.284 361 V C 0.485 176.649 176.094 0.117 0.000 1.047 361 V CA -0.244 62.108 62.300 0.088 0.000 0.952 361 V CB 0.912 32.755 31.823 0.032 0.000 0.988 361 V HN 0.724 nan 8.190 nan 0.000 0.469 362 A N 4.527 127.420 122.820 0.122 0.000 2.520 362 A HA 0.783 5.106 4.320 0.004 0.000 0.298 362 A C -1.375 176.183 177.584 -0.043 0.000 1.051 362 A CA -0.611 51.454 52.037 0.048 0.000 0.690 362 A CB 1.561 20.563 19.000 0.003 0.000 1.281 362 A HN 0.778 nan 8.150 nan 0.000 0.402 363 L N 1.666 122.719 121.223 -0.283 0.000 2.265 363 L HA 0.561 4.904 4.340 0.004 0.000 0.288 363 L C -0.676 175.983 176.870 -0.351 0.000 1.058 363 L CA 0.063 54.513 54.840 -0.650 0.000 0.809 363 L CB 0.986 42.423 42.059 -1.037 0.000 1.179 363 L HN 0.647 nan 8.230 nan 0.000 0.429 364 D N 4.551 124.773 120.400 -0.296 0.000 2.329 364 D HA 0.241 4.884 4.640 0.004 0.000 0.232 364 D C 0.368 176.562 176.300 -0.176 0.000 1.088 364 D CA -0.117 53.777 54.000 -0.177 0.000 0.835 364 D CB 1.030 41.755 40.800 -0.126 0.000 1.078 364 D HN 0.634 nan 8.370 nan 0.000 0.495 365 L N 2.752 123.890 121.223 -0.142 0.000 2.640 365 L HA 0.088 4.431 4.340 0.004 0.000 0.230 365 L C 1.974 178.758 176.870 -0.142 0.000 1.123 365 L CA 0.271 55.017 54.840 -0.156 0.000 0.900 365 L CB 0.139 42.133 42.059 -0.109 0.000 1.146 365 L HN 0.442 nan 8.230 nan 0.000 0.484 366 T N -3.562 110.926 114.554 -0.110 0.000 3.100 366 T HA 0.190 4.542 4.350 0.004 0.000 0.253 366 T C 1.009 175.657 174.700 -0.087 0.000 1.118 366 T CA 0.382 62.430 62.100 -0.088 0.000 1.058 366 T CB 0.244 69.073 68.868 -0.065 0.000 0.953 366 T HN 0.230 nan 8.240 nan 0.000 0.515 367 G N 0.476 109.217 108.800 -0.098 0.000 2.890 367 G HA2 0.585 4.548 3.960 0.004 0.000 0.189 367 G HA3 0.585 4.548 3.960 0.004 0.000 0.189 367 G C -1.121 173.720 174.900 -0.098 0.000 1.342 367 G CA -0.638 44.412 45.100 -0.084 0.000 1.026 367 G HN 0.280 nan 8.290 nan 0.000 0.579 368 T N 2.102 116.607 114.554 -0.082 0.000 2.879 368 T HA 0.572 4.925 4.350 0.004 0.000 0.290 368 T C -2.027 172.631 174.700 -0.071 0.000 0.993 368 T CA -0.509 61.540 62.100 -0.084 0.000 0.975 368 T CB 1.978 70.809 68.868 -0.062 0.000 0.981 368 T HN 0.525 nan 8.240 nan 0.000 0.439 369 P HA 0.344 nan 4.420 nan 0.000 0.307 369 P C 1.028 178.214 177.300 -0.191 0.000 1.306 369 P CA -0.692 62.329 63.100 -0.132 0.000 0.742 369 P CB 0.699 32.325 31.700 -0.123 0.000 1.349 370 L N -1.003 120.035 121.223 -0.309 0.000 2.027 370 L HA 0.065 4.408 4.340 0.004 0.000 0.206 370 L C 0.759 177.311 176.870 -0.530 0.000 1.074 370 L CA 1.517 56.055 54.840 -0.504 0.000 0.745 370 L CB -0.960 40.606 42.059 -0.820 0.000 0.898 370 L HN 0.140 nan 8.230 nan 0.000 0.433 371 F N 0.231 120.095 119.950 -0.144 0.000 2.335 371 F HA 0.461 4.990 4.527 0.005 0.000 0.365 371 F C -0.151 175.524 175.800 -0.209 0.000 1.122 371 F CA -0.854 57.021 58.000 -0.208 0.000 1.151 371 F CB 0.457 39.398 39.000 -0.098 0.000 1.282 371 F HN -0.389 nan 8.300 nan 0.000 0.513 372 V N 2.914 122.733 119.914 -0.160 0.000 2.531 372 V HA 0.334 4.456 4.120 0.004 0.000 0.301 372 V C -0.996 174.951 176.094 -0.244 0.000 1.034 372 V CA -1.225 61.008 62.300 -0.112 0.000 0.865 372 V CB 1.562 33.342 31.823 -0.071 0.000 0.995 372 V HN 0.600 nan 8.190 nan 0.000 0.424 373 W N 4.064 125.363 121.300 -0.001 0.000 2.433 373 W HA 0.646 5.309 4.660 0.004 0.000 0.315 373 W C 0.217 176.701 176.519 -0.058 0.000 1.087 373 W CA -0.514 56.799 57.345 -0.053 0.000 1.205 373 W CB 1.323 30.730 29.460 -0.088 0.000 1.288 373 W HN 0.295 nan 8.180 nan 0.000 0.504 374 K N 2.392 122.885 120.400 0.154 0.000 2.316 374 K HA 0.676 4.999 4.320 0.004 0.000 0.251 374 K C -1.239 175.401 176.600 0.067 0.000 0.934 374 K CA -1.116 55.215 56.287 0.072 0.000 0.802 374 K CB 2.546 35.059 32.500 0.022 0.000 1.171 374 K HN 0.140 nan 8.250 nan 0.000 0.426 375 V N 2.644 122.578 119.914 0.032 0.000 2.448 375 V HA 0.153 4.276 4.120 0.004 0.000 0.295 375 V C 0.271 176.378 176.094 0.022 0.000 1.025 375 V CA -0.815 61.499 62.300 0.024 0.000 0.859 375 V CB 1.082 32.902 31.823 -0.005 0.000 0.988 375 V HN 0.931 nan 8.190 nan 0.000 0.431 376 N N 3.450 122.175 118.700 0.042 0.000 2.721 376 N HA -0.213 4.529 4.740 0.004 0.000 0.249 376 N C 1.034 176.559 175.510 0.026 0.000 1.072 376 N CA 1.940 55.016 53.050 0.043 0.000 0.710 376 N CB -1.018 37.498 38.487 0.048 0.000 0.993 376 N HN 1.627 nan 8.380 nan 0.000 0.547 377 G N -2.719 106.094 108.800 0.022 0.000 2.176 377 G HA2 -0.179 3.784 3.960 0.004 0.000 0.232 377 G HA3 -0.179 3.784 3.960 0.004 0.000 0.232 377 G C -0.055 174.846 174.900 0.002 0.000 0.986 377 G CA 0.621 45.727 45.100 0.011 0.000 0.643 377 G HN 1.315 nan 8.290 nan 0.000 0.522 378 S N 1.194 116.894 115.700 0.001 0.000 2.571 378 S HA 0.522 4.994 4.470 0.004 0.000 0.284 378 S C -0.763 173.833 174.600 -0.007 0.000 1.128 378 S CA 0.065 58.259 58.200 -0.009 0.000 0.970 378 S CB 1.197 64.386 63.200 -0.018 0.000 1.039 378 S HN 0.548 nan 8.310 nan 0.000 0.485 379 D N 4.361 124.758 120.400 -0.005 0.000 2.312 379 D HA 0.156 4.798 4.640 0.004 0.000 0.252 379 D C 0.443 176.728 176.300 -0.025 0.000 1.150 379 D CA -0.391 53.612 54.000 0.006 0.000 0.870 379 D CB 0.747 41.558 40.800 0.018 0.000 1.153 379 D HN 0.566 nan 8.370 nan 0.000 0.457 380 I N 1.648 122.195 120.570 -0.037 0.000 2.754 380 I HA -0.000 4.172 4.170 0.004 0.000 0.285 380 I C -0.285 175.778 176.117 -0.091 0.000 1.166 380 I CA 0.170 61.423 61.300 -0.077 0.000 1.417 380 I CB 0.406 38.344 38.000 -0.104 0.000 1.382 380 I HN 0.400 nan 8.210 nan 0.000 0.588 381 N N 6.119 124.748 118.700 -0.117 0.000 2.629 381 N HA 0.240 4.983 4.740 0.004 0.000 0.277 381 N C -1.126 174.277 175.510 -0.179 0.000 1.188 381 N CA -0.556 52.403 53.050 -0.153 0.000 0.835 381 N CB 1.199 39.613 38.487 -0.121 0.000 1.420 381 N HN 0.344 nan 8.380 nan 0.000 0.542 382 V N 0.053 119.824 119.914 -0.239 0.000 2.904 382 V HA 0.607 4.730 4.120 0.004 0.000 0.305 382 V C 0.053 175.983 176.094 -0.273 0.000 1.067 382 V CA -0.455 61.715 62.300 -0.217 0.000 1.044 382 V CB 1.540 33.251 31.823 -0.188 0.000 1.050 382 V HN 0.580 nan 8.190 nan 0.000 0.475 383 D N 2.997 123.319 120.400 -0.132 0.000 2.412 383 D HA 0.247 4.890 4.640 0.004 0.000 0.224 383 D C 0.483 176.799 176.300 0.027 0.000 1.093 383 D CA -0.505 53.441 54.000 -0.089 0.000 0.850 383 D CB 0.796 41.615 40.800 0.032 0.000 1.046 383 D HN 0.701 nan 8.370 nan 0.000 0.507 384 W N 2.637 123.874 121.300 -0.104 0.000 2.364 384 W HA -0.011 4.650 4.660 0.002 0.000 0.281 384 W C 1.853 178.331 176.519 -0.067 0.000 1.219 384 W CA 1.009 58.254 57.345 -0.166 0.000 1.220 384 W CB -0.635 28.676 29.460 -0.249 0.000 1.127 384 W HN 0.579 nan 8.180 nan 0.000 0.556 385 G N -0.716 108.267 108.800 0.305 0.000 3.088 385 G HA2 -0.001 3.962 3.960 0.004 0.000 0.217 385 G HA3 -0.001 3.962 3.960 0.004 0.000 0.217 385 G C 0.600 175.610 174.900 0.182 0.000 1.159 385 G CA -0.099 45.192 45.100 0.318 0.000 0.760 385 G HN 0.076 nan 8.290 nan 0.000 0.550 386 K N 1.016 121.516 120.400 0.166 0.000 2.950 386 K HA 0.312 4.635 4.320 0.004 0.000 0.199 386 K C -2.947 173.816 176.600 0.271 0.000 1.144 386 K CA -1.479 54.914 56.287 0.176 0.000 0.983 386 K CB 2.052 34.627 32.500 0.126 0.000 1.187 386 K HN -0.053 nan 8.250 nan 0.000 0.595 387 P HA 0.013 nan 4.420 nan 0.000 0.269 387 P C 1.200 178.714 177.300 0.357 0.000 1.215 387 P CA -0.521 62.753 63.100 0.290 0.000 0.780 387 P CB 0.571 32.498 31.700 0.378 0.000 0.898 388 I N 1.711 122.399 120.570 0.196 0.000 2.181 388 I HA -0.250 3.922 4.170 0.004 0.000 0.247 388 I C 1.990 178.193 176.117 0.143 0.000 1.081 388 I CA 1.781 63.153 61.300 0.121 0.000 1.340 388 I CB -1.221 36.691 38.000 -0.146 0.000 1.036 388 I HN 0.389 nan 8.210 nan 0.000 0.417 389 I N 0.739 121.319 120.570 0.016 0.000 2.264 389 I HA -0.291 3.881 4.170 0.004 0.000 0.248 389 I C 2.321 178.307 176.117 -0.219 0.000 1.111 389 I CA 1.550 62.717 61.300 -0.221 0.000 1.382 389 I CB -1.363 36.321 38.000 -0.527 0.000 1.060 389 I HN 0.265 nan 8.210 nan 0.000 0.418 390 D N -0.055 120.400 120.400 0.090 0.000 2.144 390 D HA -0.234 4.408 4.640 0.004 0.000 0.199 390 D C 2.192 178.536 176.300 0.074 0.000 0.984 390 D CA 1.405 55.512 54.000 0.178 0.000 0.834 390 D CB -0.049 40.943 40.800 0.320 0.000 0.955 390 D HN 0.300 nan 8.370 nan 0.000 0.465 391 Y N 0.117 120.477 120.300 0.101 0.000 2.181 391 Y HA -0.123 4.429 4.550 0.004 0.000 0.288 391 Y C 2.318 178.271 175.900 0.088 0.000 1.146 391 Y CA 0.590 58.765 58.100 0.124 0.000 1.164 391 Y CB -0.215 38.410 38.460 0.274 0.000 0.982 391 Y HN 0.086 nan 8.280 nan 0.000 0.515 392 I N -0.203 120.498 120.570 0.218 0.000 2.179 392 I HA -0.286 3.887 4.170 0.004 0.000 0.242 392 I C 2.178 178.313 176.117 0.030 0.000 1.088 392 I CA 1.613 62.974 61.300 0.103 0.000 1.357 392 I CB -1.244 36.761 38.000 0.008 0.000 1.051 392 I HN 0.288 nan 8.210 nan 0.000 0.409 393 L N 0.352 121.558 121.223 -0.029 0.000 2.275 393 L HA -0.149 4.193 4.340 0.004 0.000 0.215 393 L C 2.026 178.895 176.870 -0.002 0.000 1.119 393 L CA 1.561 56.375 54.840 -0.043 0.000 0.790 393 L CB -0.642 41.359 42.059 -0.097 0.000 0.919 393 L HN 0.393 nan 8.230 nan 0.000 0.443 394 T N -4.526 110.034 114.554 0.010 0.000 3.092 394 T HA 0.273 4.625 4.350 0.004 0.000 0.258 394 T C 1.287 175.994 174.700 0.012 0.000 1.031 394 T CA 0.259 62.361 62.100 0.003 0.000 0.925 394 T CB 0.597 69.450 68.868 -0.024 0.000 1.036 394 T HN 0.345 nan 8.240 nan 0.000 0.544 395 G N 2.120 110.940 108.800 0.033 0.000 2.273 395 G HA2 -0.266 3.697 3.960 0.004 0.000 0.280 395 G HA3 -0.266 3.697 3.960 0.004 0.000 0.280 395 G C -0.148 174.769 174.900 0.029 0.000 1.047 395 G CA 0.004 45.126 45.100 0.036 0.000 0.869 395 G HN 0.723 nan 8.290 nan 0.000 0.502 396 N N 0.233 118.967 118.700 0.056 0.000 2.437 396 N HA 0.467 5.210 4.740 0.004 0.000 0.259 396 N C 1.288 176.791 175.510 -0.012 0.000 0.983 396 N CA 0.218 53.295 53.050 0.046 0.000 0.937 396 N CB 1.135 39.657 38.487 0.059 0.000 1.122 396 N HN 0.304 nan 8.380 nan 0.000 0.499 397 T N -1.131 113.297 114.554 -0.210 0.000 3.134 397 T HA 0.158 4.511 4.350 0.004 0.000 0.260 397 T C 0.140 174.343 174.700 -0.828 0.000 1.027 397 T CA -0.312 61.403 62.100 -0.642 0.000 0.913 397 T CB -0.282 68.404 68.868 -0.305 0.000 1.046 397 T HN 0.231 nan 8.240 nan 0.000 0.553 398 S N 2.587 118.043 115.700 -0.407 0.000 3.983 398 S HA 0.309 4.782 4.470 0.004 0.000 0.194 398 S C -0.708 173.769 174.600 -0.205 0.000 1.464 398 S CA -0.786 57.279 58.200 -0.224 0.000 1.021 398 S CB -1.016 62.162 63.200 -0.037 0.000 1.424 398 S HN 0.484 nan 8.310 nan 0.000 0.473 399 Y N 1.744 121.959 120.300 -0.142 0.000 2.526 399 Y HA 0.273 4.826 4.550 0.004 0.000 0.330 399 Y C -1.875 173.914 175.900 -0.186 0.000 1.156 399 Y CA -2.765 55.123 58.100 -0.355 0.000 1.419 399 Y CB -0.950 37.303 38.460 -0.345 0.000 1.250 399 Y HN 0.285 nan 8.280 nan 0.000 0.540 400 P HA -0.004 nan 4.420 nan 0.000 0.267 400 P C 0.819 178.113 177.300 -0.010 0.000 1.200 400 P CA -0.104 62.998 63.100 0.002 0.000 0.772 400 P CB 0.854 32.559 31.700 0.008 0.000 0.855 401 V N 1.857 121.768 119.914 -0.004 0.000 2.324 401 V HA -0.263 3.859 4.120 0.004 0.000 0.250 401 V C 2.175 178.250 176.094 -0.032 0.000 1.060 401 V CA 2.685 64.979 62.300 -0.011 0.000 1.042 401 V CB -1.358 30.461 31.823 -0.006 0.000 0.650 401 V HN 0.766 nan 8.190 nan 0.000 0.450 402 S N -1.056 114.621 115.700 -0.038 0.000 2.547 402 S HA -0.162 4.310 4.470 0.004 0.000 0.235 402 S C 1.425 175.975 174.600 -0.083 0.000 0.980 402 S CA 1.130 59.297 58.200 -0.055 0.000 0.941 402 S CB -0.429 62.738 63.200 -0.054 0.000 0.763 402 S HN 0.629 nan 8.310 nan 0.000 0.532 403 D N 1.817 122.161 120.400 -0.093 0.000 2.363 403 D HA 0.044 4.687 4.640 0.004 0.000 0.220 403 D C -0.113 176.095 176.300 -0.153 0.000 0.994 403 D CA 0.176 54.093 54.000 -0.137 0.000 0.890 403 D CB -0.333 40.363 40.800 -0.174 0.000 0.906 403 D HN 0.294 nan 8.370 nan 0.000 0.530 404 N N 1.002 119.631 118.700 -0.117 0.000 2.714 404 N HA -0.180 4.563 4.740 0.004 0.000 0.252 404 N C -0.412 174.999 175.510 -0.166 0.000 1.014 404 N CA 0.408 53.385 53.050 -0.122 0.000 0.735 404 N CB -1.110 37.302 38.487 -0.125 0.000 0.924 404 N HN 0.336 nan 8.380 nan 0.000 0.540 405 I N 0.430 120.905 120.570 -0.159 0.000 2.533 405 I HA 0.043 4.216 4.170 0.004 0.000 0.284 405 I C 0.807 176.856 176.117 -0.113 0.000 1.109 405 I CA -0.020 61.164 61.300 -0.194 0.000 1.412 405 I CB 0.631 38.469 38.000 -0.269 0.000 1.396 405 I HN -0.163 nan 8.210 nan 0.000 0.543 406 V N 7.198 127.038 119.914 -0.123 0.000 2.304 406 V HA 0.228 4.351 4.120 0.004 0.000 0.278 406 V C 0.253 176.422 176.094 0.124 0.000 1.018 406 V CA -0.706 61.592 62.300 -0.002 0.000 0.814 406 V CB 1.204 32.949 31.823 -0.130 0.000 1.021 406 V HN 0.729 nan 8.190 nan 0.000 0.440 407 Q N 3.678 123.557 119.800 0.133 0.000 2.288 407 Q HA 0.523 4.865 4.340 0.004 0.000 0.258 407 Q C -1.166 174.965 176.000 0.217 0.000 0.957 407 Q CA -0.263 55.628 55.803 0.147 0.000 0.919 407 Q CB 1.569 30.383 28.738 0.126 0.000 1.185 407 Q HN 0.591 nan 8.270 nan 0.000 0.408 408 V N 5.056 125.106 119.914 0.226 0.000 2.325 408 V HA 0.125 4.248 4.120 0.004 0.000 0.280 408 V C -0.462 175.720 176.094 0.148 0.000 1.016 408 V CA -0.573 61.863 62.300 0.228 0.000 0.818 408 V CB 1.296 33.284 31.823 0.276 0.000 1.019 408 V HN 0.850 nan 8.190 nan 0.000 0.434 409 D N 2.855 123.322 120.400 0.112 0.000 2.333 409 D HA 0.174 4.817 4.640 0.004 0.000 0.208 409 D C 1.457 177.790 176.300 0.055 0.000 0.984 409 D CA 0.608 54.657 54.000 0.082 0.000 0.873 409 D CB 0.395 41.239 40.800 0.072 0.000 0.935 409 D HN 0.690 nan 8.370 nan 0.000 0.521 410 A N 0.739 123.582 122.820 0.039 0.000 2.598 410 A HA 0.073 4.395 4.320 0.004 0.000 0.239 410 A C 0.319 177.904 177.584 0.001 0.000 1.032 410 A CA 0.207 52.247 52.037 0.005 0.000 0.760 410 A CB 0.215 19.198 19.000 -0.028 0.000 0.946 410 A HN 0.002 nan 8.150 nan 0.000 0.512 411 V N 4.140 124.052 119.914 -0.004 0.000 2.334 411 V HA 0.242 4.365 4.120 0.004 0.000 0.267 411 V C 0.552 176.624 176.094 -0.038 0.000 1.040 411 V CA 0.680 62.978 62.300 -0.005 0.000 0.866 411 V CB 0.420 32.247 31.823 0.008 0.000 1.019 411 V HN 1.133 nan 8.190 nan 0.000 0.468 412 D N 3.443 123.807 120.400 -0.060 0.000 2.723 412 D HA -0.188 4.455 4.640 0.004 0.000 0.236 412 D C 0.180 176.364 176.300 -0.192 0.000 1.138 412 D CA 1.198 55.125 54.000 -0.121 0.000 0.676 412 D CB -0.437 40.315 40.800 -0.081 0.000 1.069 412 D HN 0.795 nan 8.370 nan 0.000 0.430 413 Q N -0.872 118.802 119.800 -0.209 0.000 2.399 413 Q HA 0.522 4.865 4.340 0.004 0.000 0.276 413 Q C -0.411 175.398 176.000 -0.318 0.000 1.098 413 Q CA -0.975 54.708 55.803 -0.202 0.000 0.827 413 Q CB 0.952 29.645 28.738 -0.074 0.000 1.386 413 Q HN 0.248 nan 8.270 nan 0.000 0.443 414 W N 1.698 122.901 121.300 -0.162 0.000 2.253 414 W HA 0.208 4.870 4.660 0.004 0.000 0.322 414 W C 0.317 176.598 176.519 -0.397 0.000 1.342 414 W CA 0.090 57.246 57.345 -0.314 0.000 1.218 414 W CB 0.851 30.121 29.460 -0.316 0.000 1.205 414 W HN 0.420 nan 8.180 nan 0.000 0.551 415 T N 0.731 115.073 114.554 -0.354 0.000 2.863 415 T HA 0.554 4.907 4.350 0.004 0.000 0.285 415 T C -1.258 173.024 174.700 -0.697 0.000 1.009 415 T CA -0.875 60.935 62.100 -0.483 0.000 0.989 415 T CB 1.059 69.615 68.868 -0.521 0.000 1.004 415 T HN 0.205 nan 8.240 nan 0.000 0.455 416 Y N 0.734 120.603 120.300 -0.719 0.000 2.352 416 Y HA 0.621 5.173 4.550 0.004 0.000 0.339 416 Y C -0.863 174.517 175.900 -0.867 0.000 0.992 416 Y CA -1.075 56.700 58.100 -0.542 0.000 1.100 416 Y CB 1.703 40.052 38.460 -0.184 0.000 1.192 416 Y HN 0.714 nan 8.280 nan 0.000 0.458 417 W N 5.132 126.452 121.300 0.034 0.000 2.647 417 W HA 0.552 5.215 4.660 0.005 0.000 0.328 417 W C -1.486 175.022 176.519 -0.018 0.000 1.018 417 W CA -0.691 56.681 57.345 0.045 0.000 1.245 417 W CB 1.440 30.917 29.460 0.028 0.000 1.356 417 W HN 0.256 nan 8.180 nan 0.000 0.443 418 L N 5.325 126.664 121.223 0.193 0.000 2.265 418 L HA 0.622 4.964 4.340 0.004 0.000 0.289 418 L C -0.840 176.157 176.870 0.211 0.000 1.033 418 L CA -0.574 54.311 54.840 0.074 0.000 0.814 418 L CB 0.204 42.217 42.059 -0.078 0.000 1.203 418 L HN 0.318 nan 8.230 nan 0.000 0.423 419 I N 4.548 125.269 120.570 0.250 0.000 2.336 419 I HA 0.368 4.541 4.170 0.004 0.000 0.292 419 I C -0.057 176.230 176.117 0.284 0.000 0.991 419 I CA -0.074 61.392 61.300 0.277 0.000 1.227 419 I CB 1.310 39.493 38.000 0.306 0.000 1.366 419 I HN 0.556 nan 8.210 nan 0.000 0.466 420 E N 4.309 124.658 120.200 0.248 0.000 2.176 420 E HA 0.244 4.597 4.350 0.004 0.000 0.267 420 E C -0.618 176.118 176.600 0.226 0.000 0.893 420 E CA -0.694 55.868 56.400 0.271 0.000 0.761 420 E CB 1.370 31.203 29.700 0.222 0.000 1.133 420 E HN 0.321 nan 8.360 nan 0.000 0.409 421 N N 3.304 122.152 118.700 0.247 0.000 3.188 421 N HA -0.001 4.742 4.740 0.004 0.000 0.279 421 N C -0.768 174.855 175.510 0.189 0.000 1.213 421 N CA 0.016 53.199 53.050 0.221 0.000 1.138 421 N CB -0.248 38.383 38.487 0.240 0.000 1.417 421 N HN 0.477 nan 8.380 nan 0.000 0.526 422 D N 0.605 121.098 120.400 0.155 0.000 2.686 422 D HA -0.163 4.480 4.640 0.004 0.000 0.235 422 D C -1.459 174.895 176.300 0.091 0.000 1.160 422 D CA 0.200 54.261 54.000 0.101 0.000 0.645 422 D CB 0.110 40.955 40.800 0.074 0.000 1.039 422 D HN 0.419 nan 8.370 nan 0.000 0.423 423 P HA -0.127 nan 4.420 nan 0.000 0.222 423 P C 0.793 178.136 177.300 0.072 0.000 1.147 423 P CA 0.979 64.150 63.100 0.117 0.000 0.790 423 P CB 0.351 32.149 31.700 0.162 0.000 0.780 424 E N -0.378 119.857 120.200 0.059 0.000 2.481 424 E HA 0.196 4.549 4.350 0.004 0.000 0.198 424 E C 1.303 177.916 176.600 0.022 0.000 1.027 424 E CA -0.058 56.365 56.400 0.038 0.000 0.900 424 E CB -0.142 29.580 29.700 0.037 0.000 0.993 424 E HN 0.168 nan 8.360 nan 0.000 0.482 425 G N 2.593 111.399 108.800 0.010 0.000 2.572 425 G HA2 0.174 4.137 3.960 0.004 0.000 0.261 425 G HA3 0.174 4.137 3.960 0.004 0.000 0.261 425 G C -1.441 173.463 174.900 0.007 0.000 1.197 425 G CA -0.920 44.165 45.100 -0.025 0.000 0.870 425 G HN -0.103 nan 8.290 nan 0.000 0.548 426 P HA 0.029 nan 4.420 nan 0.000 0.221 426 P C 0.032 177.484 177.300 0.254 0.000 1.150 426 P CA 1.007 64.185 63.100 0.130 0.000 0.800 426 P CB -0.047 31.759 31.700 0.178 0.000 0.787 427 F N -3.008 116.970 119.950 0.046 0.000 2.711 427 F HA 0.788 5.317 4.527 0.004 0.000 0.313 427 F C -1.321 174.536 175.800 0.095 0.000 1.141 427 F CA -1.441 56.594 58.000 0.060 0.000 0.941 427 F CB 0.992 40.024 39.000 0.053 0.000 1.349 427 F HN -0.332 nan 8.300 nan 0.000 0.464 428 S N 1.107 116.889 115.700 0.138 0.000 2.537 428 S HA 0.818 5.291 4.470 0.004 0.000 0.270 428 S C -1.795 172.919 174.600 0.190 0.000 1.142 428 S CA -0.655 57.588 58.200 0.072 0.000 0.870 428 S CB 1.274 64.534 63.200 0.099 0.000 1.112 428 S HN 0.798 nan 8.310 nan 0.000 0.466 429 L N 3.397 124.693 121.223 0.120 0.000 2.341 429 L HA 0.616 4.959 4.340 0.004 0.000 0.267 429 L C -2.409 174.298 176.870 -0.273 0.000 1.009 429 L CA -2.679 52.150 54.840 -0.019 0.000 0.819 429 L CB 2.294 44.345 42.059 -0.014 0.000 1.323 429 L HN 0.447 nan 8.230 nan 0.000 0.425 430 P HA 0.128 nan 4.420 nan 0.000 0.271 430 P C -1.349 175.712 177.300 -0.399 0.000 1.218 430 P CA 0.048 63.022 63.100 -0.211 0.000 0.780 430 P CB 0.415 32.025 31.700 -0.151 0.000 0.901 431 H N 2.048 121.144 119.070 0.044 0.000 2.689 431 H HA 0.253 4.812 4.556 0.004 0.000 0.346 431 H C -2.387 173.015 175.328 0.124 0.000 1.037 431 H CA -2.015 54.069 56.048 0.059 0.000 1.234 431 H CB 1.926 31.671 29.762 -0.029 0.000 1.572 431 H HN 0.264 nan 8.280 nan 0.000 0.524 432 P HA 0.091 nan 4.420 nan 0.000 0.280 432 P C -0.151 177.271 177.300 0.203 0.000 1.386 432 P CA -0.418 62.849 63.100 0.279 0.000 0.899 432 P CB 0.291 32.147 31.700 0.259 0.000 1.098 433 M N 3.594 123.299 119.600 0.176 0.000 2.185 433 M HA 0.237 4.719 4.480 0.004 0.000 0.357 433 M C 0.213 176.677 176.300 0.272 0.000 1.260 433 M CA -0.191 55.137 55.300 0.046 0.000 1.124 433 M CB -0.308 32.274 32.600 -0.029 0.000 1.600 433 M HN 0.431 nan 8.290 nan 0.000 0.467 434 H N 2.729 121.803 119.070 0.007 0.000 2.589 434 H HA 0.659 5.218 4.556 0.004 0.000 0.351 434 H C -2.090 173.405 175.328 0.277 0.000 1.074 434 H CA -0.828 55.329 56.048 0.181 0.000 1.203 434 H CB 1.307 31.124 29.762 0.090 0.000 1.558 434 H HN 0.582 nan 8.280 nan 0.000 0.522 435 L N 5.781 126.961 121.223 -0.071 0.000 2.296 435 L HA 0.347 4.689 4.340 0.004 0.000 0.286 435 L C -0.645 175.998 176.870 -0.378 0.000 1.023 435 L CA -0.221 54.624 54.840 0.008 0.000 0.812 435 L CB 0.675 42.844 42.059 0.184 0.000 1.223 435 L HN 0.803 nan 8.230 nan 0.000 0.421 436 H N 3.695 122.584 119.070 -0.302 0.000 2.615 436 H HA 0.341 4.899 4.556 0.004 0.000 0.363 436 H C 0.959 176.058 175.328 -0.382 0.000 1.148 436 H CA 0.262 56.237 56.048 -0.122 0.000 1.401 436 H CB 1.097 30.999 29.762 0.234 0.000 1.461 436 H HN 0.931 nan 8.280 nan 0.000 0.588 437 G N 1.427 109.890 108.800 -0.561 0.000 2.212 437 G HA2 -0.235 3.727 3.960 0.004 0.000 0.266 437 G HA3 -0.235 3.727 3.960 0.004 0.000 0.266 437 G C 0.049 174.058 174.900 -1.485 0.000 0.978 437 G CA 0.349 44.463 45.100 -1.643 0.000 0.632 437 G HN 0.804 nan 8.290 nan 0.000 0.537 438 H N -0.300 118.202 119.070 -0.948 0.000 3.064 438 H HA 0.306 4.864 4.556 0.004 0.000 0.352 438 H C -1.331 173.451 175.328 -0.910 0.000 1.260 438 H CA -0.826 54.588 56.048 -1.057 0.000 1.160 438 H CB 1.424 30.712 29.762 -0.790 0.000 1.879 438 H HN 0.180 nan 8.280 nan 0.000 0.544 439 D N 1.930 121.936 120.400 -0.658 0.000 2.264 439 D HA 0.193 4.836 4.640 0.004 0.000 0.249 439 D C 0.080 176.267 176.300 -0.187 0.000 1.070 439 D CA 0.019 53.818 54.000 -0.334 0.000 0.912 439 D CB 1.110 41.852 40.800 -0.096 0.000 1.193 439 D HN 0.189 nan 8.370 nan 0.000 0.427 440 F N -0.642 119.332 119.950 0.039 0.000 2.541 440 F HA 0.550 5.080 4.527 0.004 0.000 0.331 440 F C -0.402 175.474 175.800 0.127 0.000 1.057 440 F CA -1.445 56.617 58.000 0.105 0.000 0.975 440 F CB 0.310 39.359 39.000 0.082 0.000 1.246 440 F HN 0.015 nan 8.300 nan 0.000 0.484 441 L N 2.214 123.700 121.223 0.439 0.000 2.312 441 L HA 0.497 4.840 4.340 0.004 0.000 0.281 441 L C -0.597 176.427 176.870 0.257 0.000 1.070 441 L CA -1.186 53.808 54.840 0.257 0.000 0.805 441 L CB 1.584 43.667 42.059 0.041 0.000 1.174 441 L HN 0.463 nan 8.230 nan 0.000 0.434 442 V N 5.415 125.469 119.914 0.233 0.000 2.320 442 V HA 0.121 4.244 4.120 0.004 0.000 0.265 442 V C 1.058 177.207 176.094 0.091 0.000 1.048 442 V CA -0.149 62.251 62.300 0.166 0.000 0.865 442 V CB 0.931 32.875 31.823 0.201 0.000 1.043 442 V HN 0.706 nan 8.190 nan 0.000 0.474 443 L N 3.601 124.860 121.223 0.060 0.000 2.209 443 L HA 0.447 4.790 4.340 0.004 0.000 0.207 443 L C 1.169 178.089 176.870 0.083 0.000 1.094 443 L CA 1.000 55.868 54.840 0.047 0.000 0.790 443 L CB -0.042 42.028 42.059 0.018 0.000 0.932 443 L HN 0.783 nan 8.230 nan 0.000 0.447 444 G N -0.128 108.742 108.800 0.116 0.000 2.356 444 G HA2 0.485 4.448 3.960 0.004 0.000 0.294 444 G HA3 0.485 4.448 3.960 0.004 0.000 0.294 444 G C -1.676 173.282 174.900 0.096 0.000 1.423 444 G CA -0.812 44.373 45.100 0.141 0.000 0.806 444 G HN 0.108 nan 8.290 nan 0.000 0.527 445 R N -1.481 118.908 120.500 -0.186 0.000 2.795 445 R HA 0.788 5.131 4.340 0.004 0.000 0.268 445 R C 0.199 175.701 176.300 -1.331 0.000 1.041 445 R CA -0.345 55.356 56.100 -0.665 0.000 0.927 445 R CB 0.863 30.956 30.300 -0.346 0.000 1.235 445 R HN 1.059 nan 8.270 nan 0.000 0.463 446 S N 0.293 114.910 115.700 -1.804 0.000 2.576 446 S HA 0.207 4.680 4.470 0.004 0.000 0.272 446 S C -2.138 171.921 174.600 -0.902 0.000 1.352 446 S CA -0.846 56.443 58.200 -1.518 0.000 1.021 446 S CB -0.092 62.374 63.200 -1.223 0.000 0.887 446 S HN 0.450 nan 8.310 nan 0.000 0.542 447 P HA 0.157 nan 4.420 nan 0.000 0.266 447 P C -0.805 176.245 177.300 -0.418 0.000 1.195 447 P CA 0.023 62.750 63.100 -0.622 0.000 0.768 447 P CB 0.152 31.458 31.700 -0.656 0.000 0.838 448 D N 1.613 121.870 120.400 -0.239 0.000 2.382 448 D HA 0.195 4.837 4.640 0.004 0.000 0.259 448 D C 0.249 176.505 176.300 -0.072 0.000 1.224 448 D CA 0.411 54.323 54.000 -0.146 0.000 0.894 448 D CB 0.080 40.810 40.800 -0.118 0.000 1.127 448 D HN 0.073 nan 8.370 nan 0.000 0.487 449 V N 0.455 120.356 119.914 -0.023 0.000 3.160 449 V HA 0.708 4.831 4.120 0.004 0.000 0.310 449 V C -2.804 173.301 176.094 0.018 0.000 1.181 449 V CA -2.564 59.759 62.300 0.038 0.000 1.047 449 V CB 1.655 33.567 31.823 0.149 0.000 1.068 449 V HN 0.139 nan 8.190 nan 0.000 0.441 450 P HA 0.293 nan 4.420 nan 0.000 0.264 450 P C 0.730 178.043 177.300 0.021 0.000 1.193 450 P CA 0.605 63.713 63.100 0.013 0.000 0.763 450 P CB 1.031 32.742 31.700 0.020 0.000 0.810 451 A N 3.930 126.753 122.820 0.005 0.000 2.024 451 A HA -0.099 4.223 4.320 0.004 0.000 0.220 451 A C 1.821 179.424 177.584 0.033 0.000 1.164 451 A CA 1.959 54.000 52.037 0.007 0.000 0.643 451 A CB -1.062 17.927 19.000 -0.019 0.000 0.806 451 A HN 0.550 nan 8.150 nan 0.000 0.451 452 A N -0.212 122.631 122.820 0.037 0.000 2.387 452 A HA 0.324 4.647 4.320 0.004 0.000 0.234 452 A C 1.917 179.529 177.584 0.046 0.000 1.253 452 A CA 0.945 53.010 52.037 0.048 0.000 0.894 452 A CB -0.544 18.482 19.000 0.043 0.000 0.963 452 A HN 0.826 nan 8.150 nan 0.000 0.508 453 S N -0.641 115.085 115.700 0.043 0.000 2.507 453 S HA -0.134 4.338 4.470 0.004 0.000 0.235 453 S C 0.890 175.512 174.600 0.037 0.000 0.988 453 S CA 0.925 59.148 58.200 0.037 0.000 0.944 453 S CB -0.273 62.949 63.200 0.037 0.000 0.762 453 S HN 0.488 nan 8.310 nan 0.000 0.526 454 Q N 0.011 119.844 119.800 0.054 0.000 2.450 454 Q HA -0.212 4.131 4.340 0.004 0.000 0.255 454 Q C -0.522 175.486 176.000 0.013 0.000 1.003 454 Q CA 1.052 56.890 55.803 0.058 0.000 1.097 454 Q CB -2.333 26.449 28.738 0.073 0.000 1.544 454 Q HN 0.831 nan 8.270 nan 0.000 0.531 455 Q N 0.683 120.478 119.800 -0.009 0.000 2.337 455 Q HA 0.194 4.537 4.340 0.004 0.000 0.270 455 Q C 0.267 176.160 176.000 -0.179 0.000 1.002 455 Q CA 0.269 56.000 55.803 -0.120 0.000 0.888 455 Q CB 0.730 29.412 28.738 -0.094 0.000 1.222 455 Q HN 0.036 nan 8.270 nan 0.000 0.400 456 R N 2.149 122.441 120.500 -0.347 0.000 2.732 456 R HA 0.587 4.930 4.340 0.004 0.000 0.278 456 R C -0.964 175.015 176.300 -0.535 0.000 0.976 456 R CA -0.563 55.398 56.100 -0.232 0.000 0.963 456 R CB 0.968 31.222 30.300 -0.078 0.000 1.150 456 R HN 0.469 nan 8.270 nan 0.000 0.478 457 F N -0.221 119.822 119.950 0.155 0.000 2.569 457 F HA 0.404 4.934 4.527 0.004 0.000 0.312 457 F C -0.205 175.825 175.800 0.382 0.000 1.109 457 F CA -0.965 57.182 58.000 0.244 0.000 0.919 457 F CB 2.095 41.238 39.000 0.239 0.000 1.211 457 F HN -0.024 nan 8.300 nan 0.000 0.446 458 V N 3.201 123.399 119.914 0.473 0.000 2.513 458 V HA 0.283 4.405 4.120 0.004 0.000 0.299 458 V C -0.368 175.880 176.094 0.257 0.000 1.035 458 V CA -1.074 61.443 62.300 0.362 0.000 0.889 458 V CB 1.807 33.751 31.823 0.201 0.000 0.988 458 V HN 0.612 nan 8.190 nan 0.000 0.440 459 F N 4.270 124.090 119.950 -0.217 0.000 2.612 459 F HA 0.167 4.696 4.527 0.004 0.000 0.389 459 F C 0.268 175.948 175.800 -0.200 0.000 1.055 459 F CA 0.551 58.191 58.000 -0.601 0.000 1.232 459 F CB 0.264 38.743 39.000 -0.869 0.000 1.044 459 F HN 0.598 nan 8.300 nan 0.000 0.560 460 D N 9.033 128.986 120.400 -0.744 0.000 2.473 460 D HA 0.304 4.946 4.640 0.004 0.000 0.253 460 D C -1.978 173.928 176.300 -0.656 0.000 1.233 460 D CA -2.364 51.364 54.000 -0.453 0.000 0.908 460 D CB 1.757 42.459 40.800 -0.164 0.000 1.170 460 D HN 0.164 nan 8.370 nan 0.000 0.558 461 P HA -0.139 nan 4.420 nan 0.000 0.218 461 P C 1.123 178.299 177.300 -0.205 0.000 1.148 461 P CA 0.907 63.791 63.100 -0.360 0.000 0.822 461 P CB 0.197 31.843 31.700 -0.090 0.000 0.784 462 A N -0.329 122.399 122.820 -0.152 0.000 2.070 462 A HA -0.081 4.242 4.320 0.004 0.000 0.220 462 A C 2.143 179.681 177.584 -0.077 0.000 1.159 462 A CA 2.170 54.155 52.037 -0.087 0.000 0.656 462 A CB -1.183 17.780 19.000 -0.060 0.000 0.800 462 A HN 0.260 nan 8.150 nan 0.000 0.453 463 V N -4.823 115.026 119.914 -0.109 0.000 3.359 463 V HA 0.139 4.262 4.120 0.004 0.000 0.245 463 V C 1.332 177.387 176.094 -0.067 0.000 1.247 463 V CA 0.944 63.207 62.300 -0.062 0.000 1.145 463 V CB -0.211 31.601 31.823 -0.019 0.000 0.906 463 V HN 0.217 nan 8.190 nan 0.000 0.464 464 D N 0.942 121.234 120.400 -0.181 0.000 2.240 464 D HA 0.149 4.792 4.640 0.004 0.000 0.206 464 D C 2.168 178.463 176.300 -0.010 0.000 0.963 464 D CA 0.955 54.882 54.000 -0.121 0.000 0.863 464 D CB 0.230 40.759 40.800 -0.452 0.000 0.973 464 D HN 0.385 nan 8.370 nan 0.000 0.501 465 L N 1.139 122.329 121.223 -0.056 0.000 2.043 465 L HA -0.197 4.146 4.340 0.004 0.000 0.212 465 L C 2.406 179.315 176.870 0.065 0.000 1.075 465 L CA 1.329 56.213 54.840 0.075 0.000 0.752 465 L CB -0.404 41.691 42.059 0.060 0.000 0.891 465 L HN -0.016 nan 8.230 nan 0.000 0.432 466 A N -0.484 122.355 122.820 0.032 0.000 2.168 466 A HA -0.101 4.222 4.320 0.004 0.000 0.215 466 A C 2.205 179.816 177.584 0.045 0.000 1.152 466 A CA 0.943 52.998 52.037 0.031 0.000 0.716 466 A CB -0.345 18.663 19.000 0.014 0.000 0.794 466 A HN 0.375 nan 8.150 nan 0.000 0.465 467 R N -0.924 119.621 120.500 0.074 0.000 2.334 467 R HA 0.309 4.652 4.340 0.004 0.000 0.216 467 R C -0.335 176.033 176.300 0.113 0.000 0.905 467 R CA -0.213 55.938 56.100 0.085 0.000 1.064 467 R CB 0.036 30.399 30.300 0.105 0.000 1.046 467 R HN 0.388 nan 8.270 nan 0.000 0.508 468 L N 1.170 122.470 121.223 0.129 0.000 2.418 468 L HA 0.216 4.559 4.340 0.004 0.000 0.265 468 L C -0.051 176.859 176.870 0.066 0.000 1.143 468 L CA -0.555 54.356 54.840 0.118 0.000 0.809 468 L CB 0.530 42.661 42.059 0.121 0.000 1.124 468 L HN -0.055 nan 8.230 nan 0.000 0.456 469 N N 0.407 119.137 118.700 0.051 0.000 2.461 469 N HA 0.364 5.107 4.740 0.004 0.000 0.284 469 N C 0.129 175.642 175.510 0.006 0.000 1.049 469 N CA -0.385 52.681 53.050 0.027 0.000 0.889 469 N CB 1.920 40.423 38.487 0.027 0.000 1.365 469 N HN 0.619 nan 8.380 nan 0.000 0.499 470 G N 1.343 110.136 108.800 -0.012 0.000 3.159 470 G HA2 -0.001 3.961 3.960 0.004 0.000 0.232 470 G HA3 -0.001 3.961 3.960 0.004 0.000 0.232 470 G C -0.155 174.704 174.900 -0.069 0.000 1.116 470 G CA -0.186 44.880 45.100 -0.056 0.000 0.767 470 G HN 0.568 nan 8.290 nan 0.000 0.547 471 D N 1.216 121.597 120.400 -0.033 0.000 2.479 471 D HA 0.120 4.763 4.640 0.004 0.000 0.218 471 D C 0.561 176.854 176.300 -0.012 0.000 1.131 471 D CA -0.578 53.408 54.000 -0.023 0.000 0.916 471 D CB -0.227 40.569 40.800 -0.007 0.000 1.022 471 D HN 0.028 nan 8.370 nan 0.000 0.515 472 N N 2.959 121.647 118.700 -0.020 0.000 2.688 472 N HA -0.134 4.609 4.740 0.004 0.000 0.258 472 N C -2.478 173.042 175.510 0.018 0.000 1.016 472 N CA 0.221 53.273 53.050 0.003 0.000 0.747 472 N CB -0.334 38.165 38.487 0.021 0.000 0.895 472 N HN 0.298 nan 8.380 nan 0.000 0.543 473 P HA 0.266 nan 4.420 nan 0.000 0.274 473 P C -2.553 174.786 177.300 0.066 0.000 1.256 473 P CA -1.074 62.047 63.100 0.035 0.000 0.795 473 P CB -0.019 31.696 31.700 0.025 0.000 1.038 474 P HA 0.119 nan 4.420 nan 0.000 0.264 474 P C -0.158 177.223 177.300 0.134 0.000 1.183 474 P CA 0.682 63.851 63.100 0.114 0.000 0.763 474 P CB 0.240 32.022 31.700 0.137 0.000 0.807 475 R N 3.610 124.175 120.500 0.109 0.000 2.502 475 R HA 0.571 4.914 4.340 0.004 0.000 0.300 475 R C -0.282 176.028 176.300 0.017 0.000 0.984 475 R CA -0.637 55.519 56.100 0.094 0.000 0.882 475 R CB 0.928 31.288 30.300 0.101 0.000 1.180 475 R HN 0.610 nan 8.270 nan 0.000 0.444 476 R N 1.120 121.555 120.500 -0.109 0.000 2.835 476 R HA 0.178 4.521 4.340 0.004 0.000 0.271 476 R C -1.012 174.930 176.300 -0.597 0.000 1.013 476 R CA -0.509 55.465 56.100 -0.211 0.000 0.876 476 R CB 0.108 30.350 30.300 -0.097 0.000 1.348 476 R HN 0.516 nan 8.270 nan 0.000 0.453 477 D N -0.895 119.288 120.400 -0.361 0.000 2.389 477 D HA 0.145 4.787 4.640 0.004 0.000 0.206 477 D C -0.456 175.870 176.300 0.043 0.000 1.055 477 D CA 0.224 54.023 54.000 -0.335 0.000 0.856 477 D CB 0.800 41.630 40.800 0.051 0.000 0.957 477 D HN 0.420 nan 8.370 nan 0.000 0.509 478 T N -0.680 113.976 114.554 0.169 0.000 2.971 478 T HA 0.594 4.947 4.350 0.004 0.000 0.304 478 T C -1.158 173.797 174.700 0.424 0.000 1.038 478 T CA -0.660 61.693 62.100 0.421 0.000 1.007 478 T CB 2.198 71.219 68.868 0.254 0.000 1.055 478 T HN -0.022 nan 8.240 nan 0.000 0.451 479 T N 2.313 117.169 114.554 0.504 0.000 2.821 479 T HA 0.541 4.894 4.350 0.004 0.000 0.306 479 T C -1.254 173.613 174.700 0.279 0.000 1.313 479 T CA -0.811 61.510 62.100 0.369 0.000 1.012 479 T CB 0.995 70.109 68.868 0.410 0.000 1.298 479 T HN 0.363 nan 8.240 nan 0.000 0.502 480 M N 3.185 122.926 119.600 0.235 0.000 2.162 480 M HA 0.371 4.854 4.480 0.004 0.000 0.356 480 M C -0.384 175.991 176.300 0.124 0.000 1.303 480 M CA -0.799 54.616 55.300 0.192 0.000 1.116 480 M CB 0.366 33.062 32.600 0.159 0.000 1.632 480 M HN 0.503 nan 8.290 nan 0.000 0.469 481 L N 7.704 129.009 121.223 0.137 0.000 2.283 481 L HA 0.446 4.788 4.340 0.004 0.000 0.287 481 L C -2.344 174.577 176.870 0.084 0.000 1.073 481 L CA -1.465 53.448 54.840 0.122 0.000 0.822 481 L CB 0.534 42.700 42.059 0.177 0.000 1.186 481 L HN 0.366 nan 8.230 nan 0.000 0.436 482 P HA 0.132 nan 4.420 nan 0.000 0.268 482 P C -0.789 176.541 177.300 0.049 0.000 1.204 482 P CA -0.204 62.892 63.100 -0.006 0.000 0.768 482 P CB 0.532 32.183 31.700 -0.081 0.000 0.842 483 A N 3.644 126.485 122.820 0.035 0.000 2.580 483 A HA 0.325 4.647 4.320 0.004 0.000 0.244 483 A C 1.658 179.311 177.584 0.116 0.000 1.045 483 A CA 0.903 52.981 52.037 0.068 0.000 0.761 483 A CB -1.552 17.480 19.000 0.053 0.000 0.962 483 A HN 0.918 nan 8.150 nan 0.000 0.512 484 G N 1.425 110.309 108.800 0.139 0.000 2.189 484 G HA2 -0.017 3.946 3.960 0.004 0.000 0.267 484 G HA3 -0.017 3.946 3.960 0.004 0.000 0.267 484 G C 0.988 176.017 174.900 0.214 0.000 0.975 484 G CA 1.096 46.286 45.100 0.151 0.000 0.644 484 G HN 1.976 nan 8.290 nan 0.000 0.537 485 G N -0.866 108.065 108.800 0.219 0.000 3.175 485 G HA2 0.761 4.723 3.960 0.004 0.000 0.153 485 G HA3 0.761 4.723 3.960 0.004 0.000 0.153 485 G C -0.102 174.973 174.900 0.291 0.000 1.216 485 G CA -0.193 45.047 45.100 0.234 0.000 0.943 485 G HN 1.153 nan 8.290 nan 0.000 0.611 486 W N -2.088 119.317 121.300 0.175 0.000 3.074 486 W HA 0.716 5.379 4.660 0.004 0.000 0.332 486 W C -2.630 173.952 176.519 0.105 0.000 1.253 486 W CA -1.087 56.349 57.345 0.152 0.000 1.180 486 W CB 1.236 30.811 29.460 0.192 0.000 1.445 486 W HN 0.627 nan 8.180 nan 0.000 0.573 487 L N 3.028 124.547 121.223 0.493 0.000 2.464 487 L HA 0.673 5.016 4.340 0.004 0.000 0.266 487 L C -2.030 175.029 176.870 0.314 0.000 0.965 487 L CA -0.684 54.333 54.840 0.296 0.000 0.833 487 L CB 1.933 44.088 42.059 0.160 0.000 1.296 487 L HN 0.438 nan 8.230 nan 0.000 0.405 488 L N 5.544 126.916 121.223 0.249 0.000 2.305 488 L HA 0.703 5.046 4.340 0.004 0.000 0.284 488 L C -1.494 175.374 176.870 -0.004 0.000 1.013 488 L CA -0.035 54.821 54.840 0.026 0.000 0.819 488 L CB 1.216 43.183 42.059 -0.153 0.000 1.227 488 L HN 0.630 nan 8.230 nan 0.000 0.417 489 L N 4.380 125.593 121.223 -0.018 0.000 2.319 489 L HA 0.981 5.323 4.340 0.004 0.000 0.267 489 L C -0.406 176.482 176.870 0.029 0.000 1.011 489 L CA -0.903 53.921 54.840 -0.027 0.000 0.818 489 L CB 1.941 43.894 42.059 -0.178 0.000 1.316 489 L HN 0.720 nan 8.230 nan 0.000 0.432 490 A N 1.643 124.502 122.820 0.064 0.000 2.449 490 A HA 0.865 5.187 4.320 0.004 0.000 0.302 490 A C -1.311 176.466 177.584 0.322 0.000 1.048 490 A CA -0.370 51.664 52.037 -0.006 0.000 0.708 490 A CB 1.567 20.321 19.000 -0.410 0.000 1.274 490 A HN 0.594 nan 8.150 nan 0.000 0.410 491 F N -0.217 119.802 119.950 0.116 0.000 2.613 491 F HA 0.832 5.362 4.527 0.005 0.000 0.310 491 F C -0.579 175.054 175.800 -0.277 0.000 1.085 491 F CA -0.987 56.998 58.000 -0.024 0.000 0.945 491 F CB 1.567 40.374 39.000 -0.321 0.000 1.298 491 F HN 0.632 nan 8.300 nan 0.000 0.455 492 R N 1.088 121.292 120.500 -0.495 0.000 2.312 492 R HA 0.400 4.742 4.340 0.004 0.000 0.311 492 R C -0.352 175.747 176.300 -0.336 0.000 1.004 492 R CA -0.308 55.308 56.100 -0.807 0.000 0.902 492 R CB 1.395 30.881 30.300 -1.356 0.000 1.073 492 R HN 0.934 nan 8.270 nan 0.000 0.457 493 T N 0.616 114.999 114.554 -0.284 0.000 4.309 493 T HA 0.041 4.394 4.350 0.004 0.000 0.242 493 T C 0.137 174.862 174.700 0.041 0.000 1.142 493 T CA -0.588 61.493 62.100 -0.033 0.000 1.042 493 T CB -0.300 68.537 68.868 -0.051 0.000 1.366 493 T HN 0.631 nan 8.240 nan 0.000 0.942 494 D N -0.183 120.271 120.400 0.089 0.000 2.368 494 D HA 0.082 4.725 4.640 0.004 0.000 0.218 494 D C 0.269 176.609 176.300 0.067 0.000 1.112 494 D CA -0.460 53.559 54.000 0.031 0.000 0.834 494 D CB 0.091 40.864 40.800 -0.045 0.000 0.953 494 D HN 0.403 nan 8.370 nan 0.000 0.505 495 N N 0.710 119.502 118.700 0.155 0.000 2.710 495 N HA 0.241 4.984 4.740 0.004 0.000 0.244 495 N C -3.036 172.714 175.510 0.400 0.000 1.321 495 N CA -1.577 51.562 53.050 0.149 0.000 0.758 495 N CB 1.300 39.657 38.487 -0.217 0.000 1.284 495 N HN -0.188 nan 8.380 nan 0.000 0.530 496 P HA 0.361 nan 4.420 nan 0.000 0.265 496 P C 0.073 177.513 177.300 0.233 0.000 1.193 496 P CA 0.336 63.594 63.100 0.263 0.000 0.765 496 P CB 0.811 32.594 31.700 0.138 0.000 0.823 497 G N 0.902 109.727 108.800 0.041 0.000 2.325 497 G HA2 0.485 4.447 3.960 0.004 0.000 0.297 497 G HA3 0.485 4.447 3.960 0.004 0.000 0.297 497 G C -1.909 172.496 174.900 -0.825 0.000 1.448 497 G CA -0.249 44.513 45.100 -0.564 0.000 0.838 497 G HN 0.435 nan 8.290 nan 0.000 0.579 498 A N -0.235 122.041 122.820 -0.906 0.000 2.252 498 A HA 0.719 5.041 4.320 0.004 0.000 0.309 498 A C -1.072 176.102 177.584 -0.684 0.000 1.285 498 A CA -0.356 51.319 52.037 -0.603 0.000 0.900 498 A CB 0.043 18.811 19.000 -0.387 0.000 1.157 498 A HN 0.718 nan 8.150 nan 0.000 0.536 499 W N 3.493 124.791 121.300 -0.002 0.000 2.475 499 W HA 0.507 5.169 4.660 0.004 0.000 0.320 499 W C -0.363 176.103 176.519 -0.089 0.000 1.022 499 W CA -0.660 56.682 57.345 -0.004 0.000 1.240 499 W CB 1.251 30.763 29.460 0.087 0.000 1.328 499 W HN 0.464 nan 8.180 nan 0.000 0.439 500 L N 3.409 124.553 121.223 -0.132 0.000 2.467 500 L HA 0.297 4.639 4.340 0.004 0.000 0.270 500 L C -0.338 176.566 176.870 0.057 0.000 1.205 500 L CA -0.150 54.559 54.840 -0.219 0.000 0.828 500 L CB 0.210 41.948 42.059 -0.534 0.000 1.101 500 L HN 0.332 nan 8.230 nan 0.000 0.479 501 F N 2.977 122.875 119.950 -0.086 0.000 2.612 501 F HA 0.485 5.015 4.527 0.005 0.000 0.332 501 F C -0.475 175.326 175.800 0.003 0.000 1.167 501 F CA -0.483 57.493 58.000 -0.041 0.000 0.970 501 F CB 0.755 39.742 39.000 -0.022 0.000 1.234 501 F HN 0.577 nan 8.300 nan 0.000 0.453 502 H N 2.353 121.146 119.070 -0.462 0.000 3.037 502 H HA 0.459 5.018 4.556 0.005 0.000 0.355 502 H C -1.292 173.891 175.328 -0.242 0.000 1.263 502 H CA -1.415 54.428 56.048 -0.341 0.000 1.129 502 H CB 0.767 30.439 29.762 -0.150 0.000 1.861 502 H HN 0.736 nan 8.280 nan 0.000 0.546 503 C N 2.506 121.759 119.300 -0.079 0.000 2.653 503 C HA 0.070 4.533 4.460 0.004 0.000 0.421 503 C C 1.327 176.446 174.990 0.216 0.000 1.334 503 C CA 0.022 59.049 59.018 0.015 0.000 1.885 503 C CB -0.806 26.918 27.740 -0.026 0.000 2.645 503 C HN 1.022 nan 8.230 nan 0.000 0.601 504 H N 3.836 122.978 119.070 0.120 0.000 2.526 504 H HA 0.294 4.852 4.556 0.005 0.000 0.274 504 H C 0.508 175.846 175.328 0.017 0.000 0.999 504 H CA 0.275 56.422 56.048 0.165 0.000 1.157 504 H CB 0.057 29.890 29.762 0.117 0.000 1.407 504 H HN 0.662 nan 8.280 nan 0.000 0.568 505 I N 1.348 121.935 120.570 0.029 0.000 2.505 505 I HA -0.040 4.132 4.170 0.004 0.000 0.287 505 I C 1.648 177.561 176.117 -0.341 0.000 1.104 505 I CA -0.123 61.027 61.300 -0.250 0.000 1.387 505 I CB 1.282 38.993 38.000 -0.482 0.000 1.404 505 I HN 0.124 nan 8.210 nan 0.000 0.528 506 A N 7.104 129.580 122.820 -0.573 0.000 1.917 506 A HA -0.186 4.136 4.320 0.004 0.000 0.219 506 A C 1.841 179.298 177.584 -0.211 0.000 1.182 506 A CA 1.511 53.244 52.037 -0.507 0.000 0.633 506 A CB -0.657 17.794 19.000 -0.914 0.000 0.819 506 A HN 0.930 nan 8.150 nan 0.000 0.448 507 W N -1.315 119.959 121.300 -0.043 0.000 2.402 507 W HA -0.084 4.580 4.660 0.006 0.000 0.286 507 W C 2.229 178.877 176.519 0.215 0.000 1.221 507 W CA 0.712 58.096 57.345 0.065 0.000 1.257 507 W CB -0.446 29.056 29.460 0.070 0.000 1.120 507 W HN 0.529 nan 8.180 nan 0.000 0.551 508 H N -0.729 118.422 119.070 0.136 0.000 2.343 508 H HA -0.116 4.443 4.556 0.004 0.000 0.303 508 H C 2.419 177.714 175.328 -0.055 0.000 1.068 508 H CA 1.124 57.106 56.048 -0.110 0.000 1.359 508 H CB -0.340 29.144 29.762 -0.464 0.000 1.402 508 H HN -0.020 nan 8.280 nan 0.000 0.515 509 V N 0.288 120.251 119.914 0.082 0.000 2.515 509 V HA -0.218 3.905 4.120 0.004 0.000 0.250 509 V C 2.166 178.287 176.094 0.045 0.000 1.058 509 V CA 1.688 63.999 62.300 0.018 0.000 1.064 509 V CB -0.268 31.519 31.823 -0.060 0.000 0.675 509 V HN 0.311 nan 8.190 nan 0.000 0.461 510 S N 0.549 116.312 115.700 0.106 0.000 2.374 510 S HA -0.145 4.328 4.470 0.004 0.000 0.227 510 S C 1.742 176.429 174.600 0.145 0.000 1.037 510 S CA 1.571 59.848 58.200 0.128 0.000 1.024 510 S CB -0.675 62.650 63.200 0.209 0.000 0.861 510 S HN 0.802 nan 8.310 nan 0.000 0.456 511 G N -0.826 108.123 108.800 0.249 0.000 2.920 511 G HA2 0.387 4.350 3.960 0.004 0.000 0.208 511 G HA3 0.387 4.350 3.960 0.004 0.000 0.208 511 G C 0.810 175.868 174.900 0.263 0.000 1.159 511 G CA 0.514 45.799 45.100 0.307 0.000 0.784 511 G HN 0.805 nan 8.290 nan 0.000 0.535 512 G N -0.606 108.295 108.800 0.169 0.000 2.227 512 G HA2 -0.202 3.761 3.960 0.004 0.000 0.168 512 G HA3 -0.202 3.761 3.960 0.004 0.000 0.168 512 G C 0.358 175.299 174.900 0.068 0.000 1.006 512 G CA -0.129 45.026 45.100 0.093 0.000 0.684 512 G HN 0.416 nan 8.290 nan 0.000 0.489 513 L N 2.528 123.788 121.223 0.061 0.000 2.384 513 L HA 0.637 4.980 4.340 0.004 0.000 0.258 513 L C 0.302 177.126 176.870 -0.077 0.000 1.266 513 L CA 0.339 55.156 54.840 -0.039 0.000 1.162 513 L CB 0.216 42.142 42.059 -0.222 0.000 1.375 513 L HN 0.236 nan 8.230 nan 0.000 0.420 514 S N 1.489 117.143 115.700 -0.077 0.000 2.565 514 S HA 0.683 5.156 4.470 0.004 0.000 0.269 514 S C -0.770 173.756 174.600 -0.123 0.000 1.153 514 S CA -0.462 57.679 58.200 -0.099 0.000 0.835 514 S CB 1.721 64.860 63.200 -0.101 0.000 1.122 514 S HN 0.246 nan 8.310 nan 0.000 0.462 515 V N 0.298 120.118 119.914 -0.157 0.000 3.181 515 V HA 0.866 4.988 4.120 0.004 0.000 0.314 515 V C -1.371 174.554 176.094 -0.282 0.000 1.173 515 V CA -0.673 61.483 62.300 -0.240 0.000 1.052 515 V CB 1.928 33.541 31.823 -0.350 0.000 1.123 515 V HN 0.840 nan 8.190 nan 0.000 0.454 516 D N 0.285 120.483 120.400 -0.336 0.000 2.473 516 D HA 0.388 5.031 4.640 0.004 0.000 0.253 516 D C -1.281 174.862 176.300 -0.262 0.000 1.233 516 D CA -0.418 53.423 54.000 -0.265 0.000 0.908 516 D CB 0.904 41.558 40.800 -0.243 0.000 1.170 516 D HN 0.387 nan 8.370 nan 0.000 0.558 517 F N 3.152 123.067 119.950 -0.057 0.000 2.494 517 F HA 0.178 4.708 4.527 0.005 0.000 0.369 517 F C 0.697 176.495 175.800 -0.003 0.000 1.098 517 F CA -0.535 57.452 58.000 -0.021 0.000 1.154 517 F CB 0.572 39.600 39.000 0.046 0.000 1.103 517 F HN 0.280 nan 8.300 nan 0.000 0.549 518 L N 5.101 126.393 121.223 0.114 0.000 2.328 518 L HA 0.238 4.581 4.340 0.004 0.000 0.280 518 L C 0.110 177.057 176.870 0.129 0.000 1.111 518 L CA -0.089 54.755 54.840 0.006 0.000 0.909 518 L CB 0.078 42.041 42.059 -0.159 0.000 1.277 518 L HN 0.548 nan 8.230 nan 0.000 0.433 519 E N 4.918 125.237 120.200 0.197 0.000 2.152 519 E HA 0.270 4.622 4.350 0.004 0.000 0.285 519 E C -0.208 176.497 176.600 0.174 0.000 1.043 519 E CA -0.489 56.071 56.400 0.265 0.000 0.839 519 E CB 0.282 30.273 29.700 0.484 0.000 1.069 519 E HN 0.520 nan 8.360 nan 0.000 0.399 520 R N 3.505 124.089 120.500 0.140 0.000 3.205 520 R HA -0.129 4.213 4.340 0.004 0.000 0.249 520 R C -1.916 174.432 176.300 0.079 0.000 0.937 520 R CA 0.271 56.434 56.100 0.104 0.000 0.641 520 R CB -0.999 29.366 30.300 0.109 0.000 1.114 520 R HN 0.598 nan 8.270 nan 0.000 0.451 521 P HA -0.242 nan 4.420 nan 0.000 0.218 521 P C 1.221 178.552 177.300 0.051 0.000 1.148 521 P CA 1.976 65.107 63.100 0.052 0.000 0.822 521 P CB 0.149 31.897 31.700 0.080 0.000 0.784 522 A N 0.692 123.546 122.820 0.057 0.000 1.877 522 A HA -0.192 4.131 4.320 0.004 0.000 0.216 522 A C 2.082 179.690 177.584 0.040 0.000 1.186 522 A CA 1.992 54.058 52.037 0.047 0.000 0.620 522 A CB -1.305 17.723 19.000 0.046 0.000 0.822 522 A HN 0.078 nan 8.150 nan 0.000 0.443 523 D N -0.369 120.058 120.400 0.045 0.000 2.144 523 D HA -0.131 4.512 4.640 0.004 0.000 0.199 523 D C 1.860 178.184 176.300 0.039 0.000 0.984 523 D CA 1.270 55.297 54.000 0.044 0.000 0.834 523 D CB -0.432 40.402 40.800 0.055 0.000 0.955 523 D HN 0.332 nan 8.370 nan 0.000 0.465 524 L N 1.420 122.664 121.223 0.036 0.000 1.990 524 L HA -0.175 4.168 4.340 0.004 0.000 0.213 524 L C 2.332 179.200 176.870 -0.002 0.000 1.072 524 L CA 1.766 56.614 54.840 0.013 0.000 0.755 524 L CB -0.500 41.549 42.059 -0.018 0.000 0.889 524 L HN -0.135 nan 8.230 nan 0.000 0.432 525 R N -0.959 119.541 120.500 -0.000 0.000 2.091 525 R HA -0.196 4.147 4.340 0.004 0.000 0.238 525 R C 2.275 178.576 176.300 0.002 0.000 1.136 525 R CA 1.906 58.002 56.100 -0.007 0.000 0.959 525 R CB -0.228 30.075 30.300 0.006 0.000 0.856 525 R HN 0.602 nan 8.270 nan 0.000 0.437 526 Q N -0.522 119.286 119.800 0.014 0.000 2.234 526 Q HA -0.171 4.172 4.340 0.004 0.000 0.206 526 Q C 1.739 177.751 176.000 0.019 0.000 0.980 526 Q CA 1.404 57.217 55.803 0.018 0.000 0.869 526 Q CB 0.034 28.786 28.738 0.023 0.000 0.912 526 Q HN 0.316 nan 8.270 nan 0.000 0.436 527 R N -0.232 120.281 120.500 0.021 0.000 2.312 527 R HA 0.221 4.563 4.340 0.004 0.000 0.205 527 R C 0.135 176.452 176.300 0.028 0.000 0.904 527 R CA -0.153 55.964 56.100 0.030 0.000 1.052 527 R CB 0.516 30.841 30.300 0.042 0.000 1.014 527 R HN 0.124 nan 8.270 nan 0.000 0.503 528 I N 2.468 123.044 120.570 0.011 0.000 2.452 528 I HA -0.021 4.151 4.170 0.004 0.000 0.287 528 I C 0.733 176.861 176.117 0.018 0.000 1.079 528 I CA -0.159 61.145 61.300 0.006 0.000 1.387 528 I CB 1.046 39.024 38.000 -0.036 0.000 1.404 528 I HN 0.129 nan 8.210 nan 0.000 0.522 529 S N 4.412 120.134 115.700 0.037 0.000 2.584 529 S HA 0.020 4.493 4.470 0.004 0.000 0.270 529 S C 0.779 175.400 174.600 0.036 0.000 1.346 529 S CA -0.519 57.704 58.200 0.039 0.000 1.018 529 S CB 1.510 64.741 63.200 0.051 0.000 0.899 529 S HN 0.672 nan 8.310 nan 0.000 0.542 530 Q N 0.944 120.763 119.800 0.032 0.000 2.124 530 Q HA -0.129 4.214 4.340 0.004 0.000 0.202 530 Q C 1.718 177.743 176.000 0.042 0.000 0.977 530 Q CA 2.149 57.972 55.803 0.033 0.000 0.850 530 Q CB -0.440 28.315 28.738 0.027 0.000 0.901 530 Q HN 0.905 nan 8.270 nan 0.000 0.429 531 E N 0.122 120.350 120.200 0.046 0.000 2.051 531 E HA -0.166 4.187 4.350 0.004 0.000 0.192 531 E C 1.637 178.279 176.600 0.070 0.000 0.991 531 E CA 1.496 57.928 56.400 0.053 0.000 0.799 531 E CB -0.135 29.598 29.700 0.054 0.000 0.748 531 E HN 0.400 nan 8.360 nan 0.000 0.449 532 D N -0.063 120.387 120.400 0.084 0.000 2.144 532 D HA -0.155 4.488 4.640 0.004 0.000 0.200 532 D C 1.835 178.185 176.300 0.083 0.000 0.978 532 D CA 0.931 54.986 54.000 0.091 0.000 0.833 532 D CB -0.122 40.746 40.800 0.113 0.000 0.961 532 D HN 0.274 nan 8.370 nan 0.000 0.470 533 E N 0.501 120.739 120.200 0.063 0.000 2.047 533 E HA -0.172 4.181 4.350 0.004 0.000 0.191 533 E C 1.209 177.889 176.600 0.134 0.000 0.987 533 E CA 1.160 57.604 56.400 0.074 0.000 0.799 533 E CB 0.183 29.903 29.700 0.033 0.000 0.752 533 E HN 0.054 nan 8.360 nan 0.000 0.449 534 D N 0.552 121.006 120.400 0.090 0.000 2.117 534 D HA -0.164 4.479 4.640 0.004 0.000 0.197 534 D C 1.576 177.923 176.300 0.080 0.000 0.987 534 D CA 1.356 55.403 54.000 0.079 0.000 0.829 534 D CB -0.447 40.383 40.800 0.051 0.000 0.961 534 D HN 0.238 nan 8.370 nan 0.000 0.460 535 D N -0.840 119.604 120.400 0.072 0.000 2.144 535 D HA -0.125 4.518 4.640 0.004 0.000 0.200 535 D C 1.748 178.077 176.300 0.049 0.000 0.978 535 D CA 0.324 54.346 54.000 0.038 0.000 0.833 535 D CB -0.166 40.638 40.800 0.007 0.000 0.961 535 D HN 0.106 nan 8.370 nan 0.000 0.470 536 F N 0.982 120.906 119.950 -0.044 0.000 2.095 536 F HA -0.198 4.332 4.527 0.005 0.000 0.298 536 F C 1.921 177.717 175.800 -0.006 0.000 1.104 536 F CA 1.339 59.316 58.000 -0.038 0.000 1.232 536 F CB -0.258 38.723 39.000 -0.030 0.000 0.987 536 F HN -0.075 nan 8.300 nan 0.000 0.475 537 N N 0.534 119.321 118.700 0.145 0.000 2.188 537 N HA -0.166 4.576 4.740 0.004 0.000 0.184 537 N C 2.043 177.536 175.510 -0.029 0.000 1.018 537 N CA 1.125 54.204 53.050 0.048 0.000 0.858 537 N CB -0.556 38.012 38.487 0.135 0.000 0.989 537 N HN 0.398 nan 8.380 nan 0.000 0.426 538 R N 1.000 121.495 120.500 -0.010 0.000 2.080 538 R HA -0.077 4.266 4.340 0.004 0.000 0.236 538 R C 1.810 178.091 176.300 -0.033 0.000 1.137 538 R CA 1.400 57.493 56.100 -0.012 0.000 0.943 538 R CB -0.284 30.014 30.300 -0.003 0.000 0.846 538 R HN -0.038 nan 8.270 nan 0.000 0.431 539 V N 0.423 120.290 119.914 -0.078 0.000 2.358 539 V HA -0.303 3.820 4.120 0.004 0.000 0.246 539 V C 2.647 178.712 176.094 -0.047 0.000 1.047 539 V CA 1.717 63.973 62.300 -0.073 0.000 1.035 539 V CB -0.562 31.184 31.823 -0.128 0.000 0.658 539 V HN 0.544 nan 8.190 nan 0.000 0.452 540 c N 0.203 118.694 118.600 -0.182 0.000 2.413 540 c HA -0.185 4.387 4.570 0.004 0.000 0.276 540 c C 2.583 176.695 174.090 0.037 0.000 1.236 540 c CA 1.159 57.414 56.329 -0.122 0.000 1.735 540 c CB -1.075 41.225 42.510 -0.349 0.000 2.031 540 c HN 0.602 nan 8.230 nan 0.000 0.474 541 D N 0.432 120.838 120.400 0.009 0.000 2.104 541 D HA -0.125 4.518 4.640 0.004 0.000 0.194 541 D C 2.105 178.447 176.300 0.071 0.000 0.994 541 D CA 1.297 55.321 54.000 0.041 0.000 0.830 541 D CB -0.511 40.305 40.800 0.026 0.000 0.959 541 D HN 0.630 nan 8.370 nan 0.000 0.452 542 E N -0.244 120.005 120.200 0.082 0.000 2.072 542 E HA -0.139 4.213 4.350 0.004 0.000 0.191 542 E C 2.049 178.760 176.600 0.186 0.000 0.985 542 E CA 0.392 56.857 56.400 0.109 0.000 0.801 542 E CB -0.163 29.591 29.700 0.089 0.000 0.750 542 E HN 0.447 nan 8.360 nan 0.000 0.452 543 W N 2.072 123.408 121.300 0.059 0.000 2.381 543 W HA -0.125 4.538 4.660 0.005 0.000 0.301 543 W C 1.750 178.405 176.519 0.226 0.000 1.205 543 W CA 1.085 58.514 57.345 0.139 0.000 1.285 543 W CB -0.051 29.439 29.460 0.051 0.000 1.133 543 W HN -0.034 nan 8.180 nan 0.000 0.521 544 R N 0.196 120.763 120.500 0.112 0.000 2.115 544 R HA -0.106 4.236 4.340 0.004 0.000 0.230 544 R C 2.459 178.758 176.300 -0.002 0.000 1.111 544 R CA 1.394 57.521 56.100 0.045 0.000 0.976 544 R CB -0.630 29.732 30.300 0.102 0.000 0.870 544 R HN 0.137 nan 8.270 nan 0.000 0.445 545 A N 0.221 123.049 122.820 0.014 0.000 1.929 545 A HA -0.193 4.130 4.320 0.004 0.000 0.216 545 A C 1.917 179.471 177.584 -0.050 0.000 1.176 545 A CA 0.930 52.965 52.037 -0.004 0.000 0.628 545 A CB -0.567 18.449 19.000 0.027 0.000 0.816 545 A HN 0.422 nan 8.150 nan 0.000 0.444 546 Y N -0.975 119.231 120.300 -0.156 0.000 2.163 546 Y HA -0.221 4.332 4.550 0.005 0.000 0.288 546 Y C 2.301 178.033 175.900 -0.280 0.000 1.136 546 Y CA 1.682 59.651 58.100 -0.217 0.000 1.147 546 Y CB -0.505 37.807 38.460 -0.246 0.000 0.987 546 Y HN 0.547 nan 8.280 nan 0.000 0.509 547 W N 2.277 123.120 121.300 -0.762 0.000 2.338 547 W HA -0.159 4.506 4.660 0.009 0.000 0.304 547 W C -1.011 175.212 176.519 -0.493 0.000 1.212 547 W CA 1.531 58.434 57.345 -0.737 0.000 1.264 547 W CB -1.383 27.732 29.460 -0.575 0.000 1.142 547 W HN 0.191 nan 8.180 nan 0.000 0.512 548 P HA -0.155 nan 4.420 nan 0.000 0.223 548 P C 1.553 178.544 177.300 -0.514 0.000 1.144 548 P CA 2.745 65.587 63.100 -0.430 0.000 0.783 548 P CB -0.492 31.079 31.700 -0.215 0.000 0.771 549 T N -5.843 108.326 114.554 -0.641 0.000 3.081 549 T HA 0.083 4.435 4.350 0.004 0.000 0.250 549 T C 0.773 175.083 174.700 -0.650 0.000 1.100 549 T CA -0.321 61.440 62.100 -0.565 0.000 1.038 549 T CB -0.924 67.656 68.868 -0.479 0.000 0.962 549 T HN -0.105 nan 8.240 nan 0.000 0.516 550 N N 3.288 121.454 118.700 -0.889 0.000 2.483 550 N HA 0.212 4.955 4.740 0.004 0.000 0.264 550 N C -1.197 174.003 175.510 -0.516 0.000 1.197 550 N CA -1.658 50.996 53.050 -0.659 0.000 0.927 550 N CB 1.252 39.290 38.487 -0.747 0.000 1.065 550 N HN 0.076 nan 8.380 nan 0.000 0.461 551 P HA 0.008 nan 4.420 nan 0.000 0.241 551 P C -0.906 176.108 177.300 -0.478 0.000 1.191 551 P CA 0.788 63.581 63.100 -0.511 0.000 0.771 551 P CB 0.166 31.475 31.700 -0.652 0.000 0.929 552 Y N 1.233 121.508 120.300 -0.042 0.000 2.468 552 Y HA 0.481 5.031 4.550 -0.001 0.000 0.342 552 Y C -1.909 174.048 175.900 0.095 0.000 1.021 552 Y CA -3.493 54.644 58.100 0.061 0.000 1.079 552 Y CB 0.486 39.044 38.460 0.164 0.000 1.226 552 Y HN -0.150 nan 8.280 nan 0.000 0.460 553 P HA 0.181 nan 4.420 nan 0.000 0.276 553 P C -1.133 176.472 177.300 0.507 0.000 1.252 553 P CA -0.812 62.501 63.100 0.356 0.000 0.802 553 P CB 1.284 33.127 31.700 0.238 0.000 1.035 554 K N 1.464 122.180 120.400 0.527 0.000 2.276 554 K HA 0.244 4.567 4.320 0.004 0.000 0.285 554 K C 0.859 177.543 176.600 0.139 0.000 1.062 554 K CA -0.361 56.104 56.287 0.296 0.000 0.918 554 K CB -0.183 32.291 32.500 -0.043 0.000 1.055 554 K HN 0.468 nan 8.250 nan 0.000 0.477 555 I N 0.139 120.784 120.570 0.125 0.000 4.082 555 I HA 0.260 4.432 4.170 0.004 0.000 0.337 555 I C -0.330 175.815 176.117 0.048 0.000 1.352 555 I CA -0.406 60.953 61.300 0.100 0.000 1.097 555 I CB 0.192 38.281 38.000 0.149 0.000 1.048 555 I HN 0.535 nan 8.210 nan 0.000 0.393 556 D N 0.074 120.469 120.400 -0.008 0.000 2.958 556 D HA 0.200 4.843 4.640 0.004 0.000 0.306 556 D C 0.953 177.179 176.300 -0.123 0.000 1.226 556 D CA 0.218 54.206 54.000 -0.019 0.000 1.032 556 D CB 0.463 41.293 40.800 0.051 0.000 1.400 556 D HN -0.059 nan 8.370 nan 0.000 0.587 557 S N -1.881 113.761 115.700 -0.097 0.000 2.447 557 S HA 0.240 4.713 4.470 0.004 0.000 0.233 557 S C 1.852 176.273 174.600 -0.298 0.000 1.006 557 S CA 1.225 59.328 58.200 -0.161 0.000 0.957 557 S CB -0.722 62.420 63.200 -0.096 0.000 0.773 557 S HN 1.635 nan 8.310 nan 0.000 0.507 558 G N 0.355 108.984 108.800 -0.284 0.000 2.194 558 G HA2 -0.187 3.775 3.960 0.004 0.000 0.236 558 G HA3 -0.187 3.775 3.960 0.004 0.000 0.236 558 G C -0.044 174.917 174.900 0.102 0.000 0.987 558 G CA 0.246 45.162 45.100 -0.307 0.000 0.635 558 G HN 0.513 nan 8.290 nan 0.000 0.520 559 L N 0.000 121.227 121.223 0.006 0.000 2.949 559 L HA 0.000 4.343 4.340 0.004 0.000 0.249 559 L CA 0.000 54.869 54.840 0.049 0.000 0.813 559 L CB 0.000 41.970 42.059 -0.148 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502