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 2q9o_1_B DATA FIRST_RESID 1 DATA SEQUENCE EPTcNTPSNR AcWSDGFDIN TDYEVSTPDT GVTQSYVFNL TEVDNWMGPD DATA SEQUENCE GVVKEKVMLI NGNIMGPNIV ANWGDTVEVT VINNLVTNGT SIHWHGIXQK 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 0.000 176.363 176.600 -0.394 0.000 1.382 1 E CA 0.000 56.332 56.400 -0.113 0.000 0.976 1 E CB 0.000 29.635 29.700 -0.109 0.000 0.812 2 P HA 0.230 nan 4.420 nan 0.000 0.277 2 P C 0.102 177.039 177.300 -0.604 0.000 1.240 2 P CA -0.281 62.052 63.100 -1.278 0.000 0.798 2 P CB 1.353 32.001 31.700 -1.754 0.000 0.979 3 T N -3.137 111.138 114.554 -0.466 0.000 3.004 3 T HA 0.113 4.466 4.350 0.004 0.000 0.266 3 T C 0.962 175.549 174.700 -0.189 0.000 0.986 3 T CA 0.258 62.207 62.100 -0.251 0.000 0.902 3 T CB -0.870 67.900 68.868 -0.162 0.000 1.118 3 T HN 0.607 nan 8.240 nan 0.000 0.522 4 c N 0.102 118.585 118.600 -0.195 0.000 3.596 4 c HA 0.469 5.041 4.570 0.004 0.000 0.268 4 c C 0.247 174.297 174.090 -0.066 0.000 1.912 4 c CA -1.385 54.887 56.329 -0.096 0.000 1.721 4 c CB -1.703 40.782 42.510 -0.041 0.000 3.328 4 c HN 0.472 nan 8.230 nan 0.000 0.500 5 N N 3.144 121.777 118.700 -0.111 0.000 2.402 5 N HA 0.349 5.091 4.740 0.004 0.000 0.252 5 N C -0.195 175.281 175.510 -0.056 0.000 1.118 5 N CA 0.971 54.007 53.050 -0.022 0.000 0.945 5 N CB 1.010 39.519 38.487 0.036 0.000 1.147 5 N HN 0.786 nan 8.380 nan 0.000 0.495 6 T N 0.970 115.488 114.554 -0.060 0.000 2.907 6 T HA 0.426 4.779 4.350 0.004 0.000 0.290 6 T C -2.140 172.479 174.700 -0.135 0.000 1.066 6 T CA -1.664 60.385 62.100 -0.086 0.000 1.012 6 T CB 1.927 70.755 68.868 -0.065 0.000 1.184 6 T HN 0.076 nan 8.240 nan 0.000 0.522 7 P HA -0.105 nan 4.420 nan 0.000 0.216 7 P C 1.564 178.774 177.300 -0.149 0.000 1.150 7 P CA 1.436 64.420 63.100 -0.192 0.000 0.843 7 P CB -0.021 31.605 31.700 -0.124 0.000 0.787 8 S N -3.538 112.109 115.700 -0.089 0.000 2.548 8 S HA 0.098 4.571 4.470 0.004 0.000 0.215 8 S C 0.903 175.477 174.600 -0.044 0.000 0.976 8 S CA -0.018 58.148 58.200 -0.057 0.000 0.908 8 S CB -0.612 62.567 63.200 -0.035 0.000 0.781 8 S HN -0.044 nan 8.310 nan 0.000 0.519 9 N N 1.060 119.729 118.700 -0.053 0.000 2.750 9 N HA 0.342 5.084 4.740 0.004 0.000 0.253 9 N C 0.211 175.709 175.510 -0.020 0.000 1.408 9 N CA -0.380 52.657 53.050 -0.021 0.000 0.780 9 N CB 0.641 39.124 38.487 -0.005 0.000 1.191 9 N HN 0.010 nan 8.380 nan 0.000 0.511 10 R N 0.578 121.056 120.500 -0.037 0.000 2.276 10 R HA 0.226 4.568 4.340 0.004 0.000 0.196 10 R C 1.363 177.705 176.300 0.070 0.000 0.961 10 R CA 0.449 56.533 56.100 -0.026 0.000 1.024 10 R CB -0.190 30.036 30.300 -0.123 0.000 0.940 10 R HN 0.466 nan 8.270 nan 0.000 0.480 11 A N 0.362 123.225 122.820 0.073 0.000 2.014 11 A HA -0.073 4.250 4.320 0.004 0.000 0.218 11 A C 1.190 178.859 177.584 0.142 0.000 1.163 11 A CA 0.392 52.489 52.037 0.100 0.000 0.652 11 A CB -0.240 18.812 19.000 0.086 0.000 0.808 11 A HN 0.317 nan 8.150 nan 0.000 0.449 12 c N -1.177 117.508 118.600 0.143 0.000 2.536 12 c HA 0.436 5.008 4.570 0.004 0.000 0.396 12 c C 1.097 175.375 174.090 0.312 0.000 1.279 12 c CA -0.527 55.909 56.329 0.179 0.000 2.148 12 c CB 0.034 42.603 42.510 0.097 0.000 2.584 12 c HN 0.699 nan 8.230 nan 0.000 0.579 13 W N 2.502 123.862 121.300 0.098 0.000 4.366 13 W HA 0.281 4.944 4.660 0.004 0.000 0.201 13 W C 0.412 176.984 176.519 0.088 0.000 0.994 13 W CA 0.628 58.037 57.345 0.106 0.000 2.324 13 W CB -0.402 29.187 29.460 0.216 0.000 1.011 13 W HN 0.777 nan 8.180 nan 0.000 0.846 14 S N 0.055 115.881 115.700 0.209 0.000 2.672 14 S HA 0.198 4.671 4.470 0.004 0.000 0.271 14 S C -1.433 173.269 174.600 0.170 0.000 1.171 14 S CA -0.683 57.552 58.200 0.058 0.000 0.817 14 S CB 1.843 65.019 63.200 -0.041 0.000 1.150 14 S HN 0.034 nan 8.310 nan 0.000 0.478 15 D N 0.414 120.877 120.400 0.105 0.000 2.451 15 D HA 0.418 5.061 4.640 0.004 0.000 0.254 15 D C 1.520 177.865 176.300 0.075 0.000 1.204 15 D CA 2.239 56.284 54.000 0.076 0.000 0.896 15 D CB -0.394 40.429 40.800 0.039 0.000 1.136 15 D HN 1.477 nan 8.370 nan 0.000 0.499 16 G N 2.837 111.602 108.800 -0.058 0.000 2.157 16 G HA2 -0.239 3.723 3.960 0.004 0.000 0.248 16 G HA3 -0.239 3.723 3.960 0.004 0.000 0.248 16 G C 0.041 174.531 174.900 -0.683 0.000 0.979 16 G CA 0.028 44.919 45.100 -0.348 0.000 0.650 16 G HN 0.437 nan 8.290 nan 0.000 0.529 17 F N 1.362 121.368 119.950 0.092 0.000 2.562 17 F HA 0.590 5.120 4.527 0.004 0.000 0.319 17 F C -0.078 175.923 175.800 0.335 0.000 1.154 17 F CA -0.408 57.691 58.000 0.166 0.000 0.931 17 F CB 2.155 41.120 39.000 -0.059 0.000 1.198 17 F HN 0.281 nan 8.300 nan 0.000 0.444 18 D N 1.180 121.894 120.400 0.522 0.000 2.825 18 D HA 0.239 4.881 4.640 0.004 0.000 0.327 18 D C 0.334 176.825 176.300 0.319 0.000 1.277 18 D CA -0.637 53.599 54.000 0.392 0.000 0.950 18 D CB 0.460 41.408 40.800 0.247 0.000 1.438 18 D HN 0.230 nan 8.370 nan 0.000 0.526 19 I N 0.077 120.765 120.570 0.197 0.000 2.700 19 I HA -0.071 4.101 4.170 0.004 0.000 0.261 19 I C 0.752 177.005 176.117 0.226 0.000 1.219 19 I CA 1.179 62.586 61.300 0.177 0.000 1.463 19 I CB -0.651 37.429 38.000 0.134 0.000 1.092 19 I HN 0.312 nan 8.210 nan 0.000 0.452 20 N N -0.472 118.352 118.700 0.207 0.000 2.299 20 N HA 0.058 4.801 4.740 0.004 0.000 0.187 20 N C 0.367 176.000 175.510 0.204 0.000 1.099 20 N CA 0.191 53.349 53.050 0.180 0.000 0.867 20 N CB -0.042 38.520 38.487 0.126 0.000 0.974 20 N HN 0.261 nan 8.380 nan 0.000 0.477 21 T N 1.535 116.263 114.554 0.289 0.000 2.928 21 T HA -0.069 4.284 4.350 0.004 0.000 0.305 21 T C 0.215 175.102 174.700 0.311 0.000 1.035 21 T CA 0.179 62.470 62.100 0.318 0.000 1.145 21 T CB 0.886 70.077 68.868 0.539 0.000 0.963 21 T HN 0.009 nan 8.240 nan 0.000 0.545 22 D N 2.415 122.920 120.400 0.175 0.000 2.416 22 D HA 0.037 4.679 4.640 0.004 0.000 0.240 22 D C 1.055 177.394 176.300 0.064 0.000 1.250 22 D CA -0.620 53.390 54.000 0.017 0.000 0.967 22 D CB 0.037 40.825 40.800 -0.021 0.000 1.059 22 D HN 0.668 nan 8.370 nan 0.000 0.512 23 Y N 1.595 122.063 120.300 0.280 0.000 2.497 23 Y HA 0.034 4.587 4.550 0.004 0.000 0.292 23 Y C 1.500 177.544 175.900 0.240 0.000 1.137 23 Y CA 0.551 58.887 58.100 0.394 0.000 1.285 23 Y CB -0.434 38.144 38.460 0.198 0.000 0.991 23 Y HN 0.282 nan 8.280 nan 0.000 0.556 24 E N 0.540 120.562 120.200 -0.298 0.000 2.347 24 E HA -0.047 4.305 4.350 0.004 0.000 0.196 24 E C 1.552 178.157 176.600 0.009 0.000 1.008 24 E CA 1.287 57.620 56.400 -0.111 0.000 0.852 24 E CB 0.148 29.716 29.700 -0.219 0.000 0.783 24 E HN 0.619 nan 8.360 nan 0.000 0.505 25 V N -3.829 116.111 119.914 0.044 0.000 3.451 25 V HA 0.262 4.385 4.120 0.004 0.000 0.288 25 V C 0.323 176.494 176.094 0.129 0.000 1.502 25 V CA -0.484 61.856 62.300 0.067 0.000 1.026 25 V CB 1.342 33.184 31.823 0.032 0.000 0.840 25 V HN -0.036 nan 8.190 nan 0.000 0.437 26 S N 0.506 116.338 115.700 0.220 0.000 2.594 26 S HA 0.763 5.235 4.470 0.004 0.000 0.296 26 S C -0.537 174.322 174.600 0.432 0.000 1.124 26 S CA -0.009 58.367 58.200 0.294 0.000 1.011 26 S CB 1.814 65.164 63.200 0.249 0.000 1.016 26 S HN 0.529 nan 8.310 nan 0.000 0.485 27 T N 6.013 120.738 114.554 0.285 0.000 2.886 27 T HA 0.553 4.905 4.350 0.004 0.000 0.292 27 T C -2.919 171.499 174.700 -0.470 0.000 1.012 27 T CA -1.107 60.971 62.100 -0.037 0.000 0.982 27 T CB 1.744 70.638 68.868 0.044 0.000 1.018 27 T HN 0.376 nan 8.240 nan 0.000 0.451 28 P HA 0.185 nan 4.420 nan 0.000 0.268 28 P C -0.664 176.350 177.300 -0.477 0.000 1.204 28 P CA -0.229 62.116 63.100 -1.259 0.000 0.768 28 P CB 0.328 31.230 31.700 -1.330 0.000 0.842 29 D N 1.500 121.746 120.400 -0.256 0.000 2.468 29 D HA 0.089 4.732 4.640 0.004 0.000 0.218 29 D C 1.058 177.288 176.300 -0.116 0.000 1.155 29 D CA -0.258 53.666 54.000 -0.127 0.000 0.924 29 D CB 0.074 40.844 40.800 -0.050 0.000 1.029 29 D HN 0.260 nan 8.370 nan 0.000 0.515 30 T N 0.347 114.831 114.554 -0.117 0.000 3.067 30 T HA 0.169 4.521 4.350 0.004 0.000 0.257 30 T C 1.921 176.584 174.700 -0.061 0.000 1.105 30 T CA 0.336 62.386 62.100 -0.083 0.000 1.104 30 T CB -0.059 68.772 68.868 -0.063 0.000 0.925 30 T HN 0.536 nan 8.240 nan 0.000 0.498 31 G N 0.965 109.730 108.800 -0.059 0.000 2.200 31 G HA2 -0.238 3.724 3.960 0.004 0.000 0.267 31 G HA3 -0.238 3.724 3.960 0.004 0.000 0.267 31 G C 0.126 174.994 174.900 -0.055 0.000 0.993 31 G CA 0.398 45.467 45.100 -0.052 0.000 0.701 31 G HN 0.730 nan 8.290 nan 0.000 0.524 32 V N 0.575 120.456 119.914 -0.056 0.000 2.539 32 V HA 0.658 4.780 4.120 0.004 0.000 0.292 32 V C 0.570 176.619 176.094 -0.076 0.000 1.045 32 V CA 0.033 62.298 62.300 -0.057 0.000 0.945 32 V CB 1.851 33.649 31.823 -0.041 0.000 0.993 32 V HN 0.253 nan 8.190 nan 0.000 0.464 33 T N 4.536 119.035 114.554 -0.091 0.000 2.807 33 T HA 0.407 4.759 4.350 0.004 0.000 0.279 33 T C -0.637 173.982 174.700 -0.134 0.000 0.993 33 T CA -0.553 61.471 62.100 -0.126 0.000 0.970 33 T CB 1.320 70.108 68.868 -0.132 0.000 0.950 33 T HN 0.523 nan 8.240 nan 0.000 0.441 34 Q N 2.433 122.140 119.800 -0.155 0.000 2.325 34 Q HA 0.520 4.863 4.340 0.004 0.000 0.262 34 Q C -0.296 175.567 176.000 -0.229 0.000 0.968 34 Q CA -0.460 55.244 55.803 -0.166 0.000 0.877 34 Q CB 1.831 30.537 28.738 -0.054 0.000 1.253 34 Q HN 0.845 nan 8.270 nan 0.000 0.448 35 S N 2.042 117.532 115.700 -0.350 0.000 2.566 35 S HA 0.836 5.308 4.470 0.004 0.000 0.298 35 S C -0.967 173.311 174.600 -0.536 0.000 1.083 35 S CA -0.508 57.511 58.200 -0.303 0.000 0.978 35 S CB 1.270 64.344 63.200 -0.210 0.000 1.073 35 S HN 0.422 nan 8.310 nan 0.000 0.491 36 Y N -0.572 119.653 120.300 -0.126 0.000 2.562 36 Y HA 0.619 5.171 4.550 0.004 0.000 0.345 36 Y C -0.786 175.079 175.900 -0.058 0.000 1.045 36 Y CA -1.096 56.975 58.100 -0.049 0.000 1.028 36 Y CB 2.214 40.659 38.460 -0.025 0.000 1.297 36 Y HN 0.615 nan 8.280 nan 0.000 0.463 37 V N 3.426 123.478 119.914 0.230 0.000 2.444 37 V HA 0.406 4.528 4.120 0.004 0.000 0.294 37 V C -1.143 175.207 176.094 0.427 0.000 1.022 37 V CA -0.837 61.580 62.300 0.195 0.000 0.850 37 V CB 1.155 33.055 31.823 0.129 0.000 0.992 37 V HN 0.446 nan 8.190 nan 0.000 0.426 38 F N 3.665 123.692 119.950 0.129 0.000 2.385 38 F HA 0.468 4.997 4.527 0.004 0.000 0.360 38 F C 0.427 176.279 175.800 0.087 0.000 1.122 38 F CA -1.532 56.535 58.000 0.111 0.000 1.090 38 F CB 1.245 40.307 39.000 0.103 0.000 1.150 38 F HN 0.478 nan 8.300 nan 0.000 0.472 39 N N 4.279 123.116 118.700 0.228 0.000 2.469 39 N HA 0.304 5.046 4.740 0.004 0.000 0.253 39 N C -1.397 174.168 175.510 0.092 0.000 0.970 39 N CA -0.394 52.738 53.050 0.137 0.000 0.940 39 N CB 0.658 39.209 38.487 0.106 0.000 1.128 39 N HN 0.341 nan 8.380 nan 0.000 0.503 40 L N 2.751 124.023 121.223 0.081 0.000 2.281 40 L HA 0.434 4.777 4.340 0.004 0.000 0.285 40 L C 0.790 177.672 176.870 0.021 0.000 1.074 40 L CA -0.041 54.824 54.840 0.042 0.000 0.817 40 L CB 1.075 43.156 42.059 0.037 0.000 1.168 40 L HN 0.651 nan 8.230 nan 0.000 0.434 41 T N -0.513 114.044 114.554 0.006 0.000 2.916 41 T HA 0.613 4.966 4.350 0.004 0.000 0.292 41 T C -0.557 174.139 174.700 -0.007 0.000 1.064 41 T CA -0.923 61.181 62.100 0.007 0.000 1.011 41 T CB 1.771 70.650 68.868 0.018 0.000 1.152 41 T HN 0.469 nan 8.240 nan 0.000 0.510 42 E N 0.895 121.099 120.200 0.008 0.000 2.113 42 E HA 0.561 4.914 4.350 0.004 0.000 0.273 42 E C -1.428 175.185 176.600 0.022 0.000 0.924 42 E CA -0.826 55.580 56.400 0.011 0.000 0.764 42 E CB 1.061 30.780 29.700 0.032 0.000 1.104 42 E HN 0.543 nan 8.360 nan 0.000 0.406 43 V N 4.854 124.772 119.914 0.008 0.000 2.409 43 V HA 0.281 4.403 4.120 0.004 0.000 0.291 43 V C -0.462 175.686 176.094 0.089 0.000 1.020 43 V CA -0.990 61.341 62.300 0.052 0.000 0.848 43 V CB 1.657 33.508 31.823 0.046 0.000 0.990 43 V HN 0.713 nan 8.190 nan 0.000 0.430 44 D N 3.749 124.214 120.400 0.108 0.000 2.193 44 D HA 0.308 4.950 4.640 0.004 0.000 0.249 44 D C 0.319 176.708 176.300 0.149 0.000 1.034 44 D CA -0.167 53.903 54.000 0.115 0.000 0.902 44 D CB 0.849 41.701 40.800 0.086 0.000 1.182 44 D HN 0.586 nan 8.370 nan 0.000 0.436 45 N N 0.997 119.786 118.700 0.148 0.000 2.696 45 N HA -0.242 4.500 4.740 0.004 0.000 0.256 45 N C -0.986 174.634 175.510 0.184 0.000 1.031 45 N CA 0.361 53.490 53.050 0.133 0.000 0.730 45 N CB -1.205 37.330 38.487 0.079 0.000 0.894 45 N HN 0.534 nan 8.380 nan 0.000 0.544 46 W N 1.551 122.871 121.300 0.035 0.000 2.338 46 W HA 0.479 5.141 4.660 0.003 0.000 0.307 46 W C 0.544 177.089 176.519 0.044 0.000 1.167 46 W CA -0.948 56.423 57.345 0.044 0.000 1.208 46 W CB 0.524 30.022 29.460 0.064 0.000 1.228 46 W HN 0.201 nan 8.180 nan 0.000 0.499 47 M N 7.253 126.554 119.600 -0.499 0.000 2.143 47 M HA 0.355 4.837 4.480 0.004 0.000 0.348 47 M C 0.618 176.242 176.300 -1.127 0.000 1.375 47 M CA 0.348 55.311 55.300 -0.562 0.000 1.124 47 M CB -0.001 32.367 32.600 -0.387 0.000 1.669 47 M HN 0.611 nan 8.290 nan 0.000 0.469 48 G N 4.535 112.885 108.800 -0.749 0.000 2.547 48 G HA2 0.424 4.386 3.960 0.004 0.000 0.291 48 G HA3 0.424 4.386 3.960 0.004 0.000 0.291 48 G C -2.031 172.668 174.900 -0.335 0.000 1.211 48 G CA -1.107 43.583 45.100 -0.684 0.000 0.950 48 G HN 0.625 nan 8.290 nan 0.000 0.504 49 P HA -0.025 nan 4.420 nan 0.000 0.226 49 P C 0.492 177.727 177.300 -0.108 0.000 1.153 49 P CA 1.074 64.075 63.100 -0.165 0.000 0.777 49 P CB 0.247 31.848 31.700 -0.166 0.000 0.794 50 D N -1.583 118.803 120.400 -0.024 0.000 2.368 50 D HA 0.159 4.802 4.640 0.004 0.000 0.218 50 D C 1.386 177.680 176.300 -0.011 0.000 1.112 50 D CA 0.080 54.086 54.000 0.010 0.000 0.834 50 D CB -0.533 40.340 40.800 0.121 0.000 0.953 50 D HN 0.209 nan 8.370 nan 0.000 0.505 51 G N -0.410 108.352 108.800 -0.064 0.000 2.241 51 G HA2 -0.276 3.686 3.960 0.004 0.000 0.244 51 G HA3 -0.276 3.686 3.960 0.004 0.000 0.244 51 G C 0.238 175.062 174.900 -0.126 0.000 0.998 51 G CA 0.157 45.196 45.100 -0.101 0.000 0.621 51 G HN 0.385 nan 8.290 nan 0.000 0.519 52 V N 1.644 121.475 119.914 -0.137 0.000 2.637 52 V HA 0.415 4.537 4.120 0.004 0.000 0.296 52 V C 1.100 177.075 176.094 -0.199 0.000 1.046 52 V CA -0.295 61.838 62.300 -0.277 0.000 1.066 52 V CB 1.706 33.087 31.823 -0.736 0.000 0.968 52 V HN 0.291 nan 8.190 nan 0.000 0.483 53 V N 6.165 125.976 119.914 -0.172 0.000 2.432 53 V HA 0.247 4.369 4.120 0.004 0.000 0.271 53 V C 0.428 176.514 176.094 -0.013 0.000 1.046 53 V CA -0.578 61.678 62.300 -0.074 0.000 0.945 53 V CB 0.831 32.620 31.823 -0.057 0.000 0.992 53 V HN 0.801 nan 8.190 nan 0.000 0.471 54 K N 3.232 123.718 120.400 0.143 0.000 2.118 54 K HA 0.256 4.578 4.320 0.004 0.000 0.267 54 K C 1.147 177.843 176.600 0.161 0.000 0.991 54 K CA -0.428 55.968 56.287 0.181 0.000 0.916 54 K CB 1.691 34.389 32.500 0.330 0.000 1.041 54 K HN 0.746 nan 8.250 nan 0.000 0.455 55 E N 2.311 122.577 120.200 0.110 0.000 2.070 55 E HA -0.217 4.135 4.350 0.004 0.000 0.197 55 E C -0.189 176.474 176.600 0.104 0.000 1.004 55 E CA 1.613 58.067 56.400 0.089 0.000 0.805 55 E CB 0.320 30.058 29.700 0.063 0.000 0.744 55 E HN 0.352 nan 8.360 nan 0.000 0.451 56 K N -0.269 120.194 120.400 0.106 0.000 2.561 56 K HA 0.269 4.591 4.320 0.004 0.000 0.254 56 K C -1.332 175.297 176.600 0.049 0.000 0.942 56 K CA -0.554 55.781 56.287 0.080 0.000 0.818 56 K CB 1.978 34.514 32.500 0.060 0.000 1.306 56 K HN 0.040 nan 8.250 nan 0.000 0.435 57 V N 0.343 120.246 119.914 -0.018 0.000 3.074 57 V HA 0.706 4.829 4.120 0.004 0.000 0.314 57 V C -0.780 175.237 176.094 -0.129 0.000 1.117 57 V CA -1.126 61.091 62.300 -0.139 0.000 1.014 57 V CB 2.036 33.590 31.823 -0.448 0.000 1.057 57 V HN 0.820 nan 8.190 nan 0.000 0.438 58 M N 3.147 122.669 119.600 -0.130 0.000 2.067 58 M HA 0.599 5.081 4.480 0.004 0.000 0.286 58 M C -1.389 174.847 176.300 -0.106 0.000 0.922 58 M CA -0.095 55.157 55.300 -0.079 0.000 0.937 58 M CB 1.769 34.360 32.600 -0.015 0.000 1.550 58 M HN 0.541 nan 8.290 nan 0.000 0.433 59 L N 3.678 124.831 121.223 -0.116 0.000 2.333 59 L HA 0.697 5.039 4.340 0.004 0.000 0.269 59 L C -0.588 176.243 176.870 -0.065 0.000 1.010 59 L CA -1.016 53.748 54.840 -0.127 0.000 0.818 59 L CB 2.449 44.406 42.059 -0.170 0.000 1.306 59 L HN 0.647 nan 8.230 nan 0.000 0.430 60 I N 2.689 123.214 120.570 -0.076 0.000 2.315 60 I HA 0.209 4.381 4.170 0.004 0.000 0.291 60 I C -0.079 176.007 176.117 -0.052 0.000 1.006 60 I CA -0.376 60.873 61.300 -0.084 0.000 1.265 60 I CB 0.896 38.756 38.000 -0.234 0.000 1.387 60 I HN 0.664 nan 8.210 nan 0.000 0.475 61 N N 5.142 123.845 118.700 0.005 0.000 2.710 61 N HA -0.212 4.530 4.740 0.004 0.000 0.249 61 N C 0.937 176.471 175.510 0.040 0.000 1.059 61 N CA 1.318 54.393 53.050 0.041 0.000 0.720 61 N CB -1.225 37.297 38.487 0.058 0.000 0.983 61 N HN 1.134 nan 8.380 nan 0.000 0.544 62 G N -1.945 106.873 108.800 0.030 0.000 2.168 62 G HA2 -0.355 3.607 3.960 0.004 0.000 0.263 62 G HA3 -0.355 3.607 3.960 0.004 0.000 0.263 62 G C 0.045 174.996 174.900 0.085 0.000 0.977 62 G CA 0.587 45.722 45.100 0.057 0.000 0.659 62 G HN 0.586 nan 8.290 nan 0.000 0.533 63 N N -0.932 117.798 118.700 0.050 0.000 2.457 63 N HA 0.484 5.226 4.740 0.004 0.000 0.290 63 N C 1.268 176.799 175.510 0.035 0.000 1.232 63 N CA -0.364 52.739 53.050 0.088 0.000 0.852 63 N CB 1.441 39.968 38.487 0.066 0.000 1.313 63 N HN 0.007 nan 8.380 nan 0.000 0.522 64 I N -0.117 120.522 120.570 0.114 0.000 2.361 64 I HA -0.086 4.087 4.170 0.004 0.000 0.251 64 I C 0.180 176.279 176.117 -0.031 0.000 1.133 64 I CA 1.379 62.704 61.300 0.042 0.000 1.413 64 I CB 0.227 38.343 38.000 0.194 0.000 1.073 64 I HN 0.378 nan 8.210 nan 0.000 0.424 65 M N -1.013 118.573 119.600 -0.023 0.000 2.658 65 M HA 0.391 4.873 4.480 0.004 0.000 0.295 65 M C 0.269 176.529 176.300 -0.066 0.000 1.248 65 M CA -0.575 54.690 55.300 -0.059 0.000 0.843 65 M CB 1.675 34.233 32.600 -0.069 0.000 1.749 65 M HN -0.031 nan 8.290 nan 0.000 0.464 66 G N 0.903 109.641 108.800 -0.103 0.000 2.653 66 G HA2 0.445 4.408 3.960 0.004 0.000 0.265 66 G HA3 0.445 4.408 3.960 0.004 0.000 0.265 66 G C -2.757 172.126 174.900 -0.028 0.000 1.237 66 G CA -0.936 44.075 45.100 -0.148 0.000 0.946 66 G HN 0.323 nan 8.290 nan 0.000 0.522 67 P HA 0.009 nan 4.420 nan 0.000 0.265 67 P C -0.383 177.011 177.300 0.157 0.000 1.187 67 P CA 0.169 63.334 63.100 0.109 0.000 0.766 67 P CB 0.292 32.114 31.700 0.204 0.000 0.820 68 N N 2.261 121.041 118.700 0.133 0.000 2.416 68 N HA 0.132 4.875 4.740 0.004 0.000 0.265 68 N C 0.005 175.578 175.510 0.106 0.000 1.195 68 N CA -0.338 52.793 53.050 0.135 0.000 0.943 68 N CB -0.065 38.488 38.487 0.111 0.000 1.115 68 N HN 0.384 nan 8.380 nan 0.000 0.481 69 I N 2.715 123.341 120.570 0.094 0.000 2.496 69 I HA 0.085 4.258 4.170 0.004 0.000 0.285 69 I C -0.143 176.052 176.117 0.130 0.000 1.080 69 I CA -0.267 60.982 61.300 -0.085 0.000 1.404 69 I CB 0.647 38.609 38.000 -0.063 0.000 1.403 69 I HN 0.179 nan 8.210 nan 0.000 0.539 70 V N 5.981 126.028 119.914 0.223 0.000 2.686 70 V HA 0.864 4.987 4.120 0.004 0.000 0.306 70 V C -0.150 176.066 176.094 0.204 0.000 1.065 70 V CA -0.415 62.010 62.300 0.208 0.000 0.894 70 V CB 1.505 33.445 31.823 0.196 0.000 1.004 70 V HN 0.914 nan 8.190 nan 0.000 0.424 71 A N 4.092 127.011 122.820 0.166 0.000 2.557 71 A HA 0.824 5.147 4.320 0.004 0.000 0.292 71 A C -1.358 176.331 177.584 0.174 0.000 1.139 71 A CA -0.796 51.324 52.037 0.138 0.000 0.665 71 A CB 1.644 20.690 19.000 0.076 0.000 1.285 71 A HN 0.630 nan 8.150 nan 0.000 0.433 72 N N -0.134 118.680 118.700 0.189 0.000 2.466 72 N HA 0.282 5.024 4.740 0.004 0.000 0.294 72 N C -0.779 174.904 175.510 0.288 0.000 1.129 72 N CA -0.233 52.993 53.050 0.294 0.000 0.931 72 N CB 0.924 39.641 38.487 0.384 0.000 1.193 72 N HN 0.704 nan 8.380 nan 0.000 0.500 73 W N 1.736 123.052 121.300 0.026 0.000 2.549 73 W HA 0.127 4.790 4.660 0.004 0.000 0.343 73 W C 1.194 177.709 176.519 -0.006 0.000 1.278 73 W CA 1.194 58.512 57.345 -0.045 0.000 1.277 73 W CB -0.924 28.348 29.460 -0.314 0.000 1.249 73 W HN 0.840 nan 8.180 nan 0.000 0.572 74 G N 3.314 112.196 108.800 0.137 0.000 2.217 74 G HA2 -0.289 3.673 3.960 0.004 0.000 0.246 74 G HA3 -0.289 3.673 3.960 0.004 0.000 0.246 74 G C 0.325 175.209 174.900 -0.028 0.000 0.990 74 G CA 0.052 45.106 45.100 -0.077 0.000 0.627 74 G HN 0.545 nan 8.290 nan 0.000 0.522 75 D N 0.841 121.254 120.400 0.022 0.000 2.352 75 D HA 0.480 5.123 4.640 0.004 0.000 0.238 75 D C 0.722 176.990 176.300 -0.053 0.000 1.286 75 D CA 0.857 54.846 54.000 -0.018 0.000 0.923 75 D CB 0.387 41.185 40.800 -0.003 0.000 1.146 75 D HN 0.122 nan 8.370 nan 0.000 0.471 76 T N 0.161 114.642 114.554 -0.120 0.000 2.824 76 T HA 0.464 4.816 4.350 0.004 0.000 0.280 76 T C -0.294 174.191 174.700 -0.358 0.000 0.995 76 T CA -0.641 61.329 62.100 -0.216 0.000 1.009 76 T CB 1.338 70.095 68.868 -0.185 0.000 0.955 76 T HN -0.040 nan 8.240 nan 0.000 0.452 77 V N 3.085 122.587 119.914 -0.687 0.000 2.459 77 V HA 0.518 4.641 4.120 0.004 0.000 0.295 77 V C -0.043 175.502 176.094 -0.915 0.000 1.029 77 V CA -0.657 61.105 62.300 -0.896 0.000 0.874 77 V CB 1.618 32.483 31.823 -1.597 0.000 0.985 77 V HN 0.877 nan 8.190 nan 0.000 0.438 78 E N 3.421 123.297 120.200 -0.541 0.000 2.234 78 E HA 0.709 5.061 4.350 0.004 0.000 0.266 78 E C -1.909 174.520 176.600 -0.285 0.000 0.877 78 E CA -0.467 55.697 56.400 -0.393 0.000 0.758 78 E CB 2.214 31.765 29.700 -0.250 0.000 1.170 78 E HN 0.450 nan 8.360 nan 0.000 0.415 79 V N 3.713 123.473 119.914 -0.257 0.000 2.524 79 V HA 0.276 4.398 4.120 0.004 0.000 0.297 79 V C -0.350 175.708 176.094 -0.060 0.000 1.035 79 V CA -0.815 61.339 62.300 -0.245 0.000 0.867 79 V CB 1.882 33.392 31.823 -0.522 0.000 1.004 79 V HN 0.756 nan 8.190 nan 0.000 0.426 80 T N 4.728 119.254 114.554 -0.047 0.000 2.761 80 T HA 0.427 4.780 4.350 0.004 0.000 0.296 80 T C -0.054 174.687 174.700 0.068 0.000 0.934 80 T CA -0.080 62.035 62.100 0.025 0.000 1.091 80 T CB 1.083 69.963 68.868 0.020 0.000 0.896 80 T HN 0.362 nan 8.240 nan 0.000 0.515 81 V N 5.926 125.925 119.914 0.141 0.000 2.370 81 V HA 0.454 4.576 4.120 0.004 0.000 0.283 81 V C 0.003 176.180 176.094 0.138 0.000 1.023 81 V CA -0.747 61.675 62.300 0.203 0.000 0.857 81 V CB 1.150 33.164 31.823 0.318 0.000 0.985 81 V HN 0.776 nan 8.190 nan 0.000 0.443 82 I N 4.444 125.095 120.570 0.134 0.000 2.382 82 I HA 0.378 4.550 4.170 0.004 0.000 0.286 82 I C -0.114 176.042 176.117 0.067 0.000 1.002 82 I CA -0.467 60.882 61.300 0.081 0.000 1.135 82 I CB 1.574 39.618 38.000 0.074 0.000 1.288 82 I HN 0.487 nan 8.210 nan 0.000 0.448 83 N N 5.417 124.134 118.700 0.028 0.000 2.558 83 N HA 0.181 4.923 4.740 0.004 0.000 0.233 83 N C -0.284 175.215 175.510 -0.019 0.000 1.038 83 N CA -0.110 52.937 53.050 -0.006 0.000 0.934 83 N CB 0.119 38.577 38.487 -0.050 0.000 1.175 83 N HN 0.497 nan 8.380 nan 0.000 0.512 84 N N 2.629 121.327 118.700 -0.002 0.000 2.279 84 N HA 0.195 4.937 4.740 0.004 0.000 0.226 84 N C -0.182 175.324 175.510 -0.007 0.000 1.126 84 N CA -0.267 52.781 53.050 -0.003 0.000 0.846 84 N CB 0.434 38.930 38.487 0.016 0.000 1.050 84 N HN 0.368 nan 8.380 nan 0.000 0.502 85 L N -0.047 121.161 121.223 -0.025 0.000 2.479 85 L HA 0.056 4.398 4.340 0.004 0.000 0.270 85 L C 1.575 178.441 176.870 -0.008 0.000 1.236 85 L CA -0.263 54.567 54.840 -0.016 0.000 0.823 85 L CB 0.563 42.599 42.059 -0.039 0.000 1.098 85 L HN 0.001 nan 8.230 nan 0.000 0.500 86 V N -0.513 119.421 119.914 0.034 0.000 2.446 86 V HA -0.128 3.995 4.120 0.004 0.000 0.244 86 V C 1.896 178.040 176.094 0.083 0.000 1.039 86 V CA 2.075 64.408 62.300 0.055 0.000 1.045 86 V CB -0.277 31.598 31.823 0.086 0.000 0.681 86 V HN 1.093 nan 8.190 nan 0.000 0.459 87 T N -3.980 110.663 114.554 0.147 0.000 2.989 87 T HA 0.171 4.523 4.350 0.004 0.000 0.250 87 T C 0.669 175.514 174.700 0.242 0.000 0.981 87 T CA -0.165 62.086 62.100 0.251 0.000 0.980 87 T CB -0.366 68.743 68.868 0.401 0.000 1.133 87 T HN 0.391 nan 8.240 nan 0.000 0.489 88 N N 1.603 120.378 118.700 0.125 0.000 2.508 88 N HA 0.463 5.206 4.740 0.004 0.000 0.264 88 N C 0.505 175.784 175.510 -0.385 0.000 1.216 88 N CA -0.388 52.617 53.050 -0.075 0.000 0.943 88 N CB 0.836 39.200 38.487 -0.205 0.000 1.113 88 N HN 0.483 nan 8.380 nan 0.000 0.447 89 G N -0.057 108.283 108.800 -0.766 0.000 2.653 89 G HA2 0.307 4.270 3.960 0.004 0.000 0.265 89 G HA3 0.307 4.270 3.960 0.004 0.000 0.265 89 G C -0.313 173.829 174.900 -1.264 0.000 1.237 89 G CA 0.072 44.649 45.100 -0.872 0.000 0.946 89 G HN 0.420 nan 8.290 nan 0.000 0.522 90 T N -1.792 112.348 114.554 -0.691 0.000 2.853 90 T HA 0.614 4.967 4.350 0.004 0.000 0.311 90 T C -1.167 173.432 174.700 -0.169 0.000 1.307 90 T CA -0.409 61.460 62.100 -0.384 0.000 1.019 90 T CB 1.490 70.241 68.868 -0.195 0.000 1.264 90 T HN 0.607 nan 8.240 nan 0.000 0.497 91 S N 2.356 118.044 115.700 -0.020 0.000 2.603 91 S HA 0.564 5.036 4.470 0.004 0.000 0.274 91 S C -1.246 173.351 174.600 -0.004 0.000 1.168 91 S CA -0.700 57.539 58.200 0.065 0.000 0.963 91 S CB 0.854 64.091 63.200 0.062 0.000 1.078 91 S HN 0.602 nan 8.310 nan 0.000 0.477 92 I N 3.655 124.125 120.570 -0.166 0.000 2.321 92 I HA 0.327 4.499 4.170 0.004 0.000 0.291 92 I C 0.118 175.614 176.117 -1.034 0.000 0.998 92 I CA -0.396 60.537 61.300 -0.611 0.000 1.227 92 I CB 0.680 38.196 38.000 -0.808 0.000 1.368 92 I HN 0.734 nan 8.210 nan 0.000 0.466 93 H N 6.202 124.682 119.070 -0.982 0.000 2.458 93 H HA 0.416 4.975 4.556 0.004 0.000 0.330 93 H C -1.498 173.127 175.328 -1.172 0.000 1.111 93 H CA -0.550 54.947 56.048 -0.918 0.000 1.245 93 H CB 0.857 30.351 29.762 -0.448 0.000 1.456 93 H HN 0.422 nan 8.280 nan 0.000 0.488 94 W N 5.281 125.977 121.300 -1.007 0.000 2.289 94 W HA 0.202 4.865 4.660 0.005 0.000 0.342 94 W C -0.166 175.706 176.519 -1.078 0.000 0.958 94 W CA -0.902 55.923 57.345 -0.866 0.000 1.492 94 W CB -0.194 28.738 29.460 -0.879 0.000 1.336 94 W HN 0.679 nan 8.180 nan 0.000 0.371 95 H N 1.844 120.274 119.070 -1.067 0.000 2.955 95 H HA 0.399 4.957 4.556 0.004 0.000 0.290 95 H C 1.366 176.451 175.328 -0.404 0.000 1.047 95 H CA 1.373 56.916 56.048 -0.842 0.000 1.484 95 H CB 0.462 29.578 29.762 -1.077 0.000 1.501 95 H HN 0.779 nan 8.280 nan 0.000 0.521 96 G N 4.707 113.418 108.800 -0.149 0.000 2.238 96 G HA2 -0.226 3.737 3.960 0.004 0.000 0.217 96 G HA3 -0.226 3.737 3.960 0.004 0.000 0.217 96 G C -0.005 174.776 174.900 -0.199 0.000 0.996 96 G CA 0.099 45.160 45.100 -0.066 0.000 0.632 96 G HN 0.490 nan 8.290 nan 0.000 0.503 100 K N 2.411 122.840 120.400 0.048 0.000 2.402 100 K HA -0.003 4.319 4.320 0.004 0.000 0.279 100 K C 0.162 176.830 176.600 0.114 0.000 1.082 100 K CA 0.866 57.184 56.287 0.052 0.000 1.080 100 K CB -0.040 32.472 32.500 0.021 0.000 0.899 100 K HN 0.217 nan 8.250 nan 0.000 0.469 101 D N 2.524 123.020 120.400 0.160 0.000 2.911 101 D HA -0.180 4.463 4.640 0.004 0.000 0.227 101 D C -0.509 175.879 176.300 0.147 0.000 1.164 101 D CA 1.729 55.816 54.000 0.145 0.000 0.782 101 D CB -1.229 39.628 40.800 0.095 0.000 1.094 101 D HN 0.739 nan 8.370 nan 0.000 0.425 102 T N -3.195 111.481 114.554 0.202 0.000 3.448 102 T HA 0.151 4.503 4.350 0.004 0.000 0.271 102 T C 0.982 175.860 174.700 0.298 0.000 1.002 102 T CA -0.298 61.939 62.100 0.228 0.000 0.995 102 T CB 0.247 69.215 68.868 0.168 0.000 1.153 102 T HN 0.154 nan 8.240 nan 0.000 0.510 103 N N 0.724 119.543 118.700 0.198 0.000 2.192 103 N HA -0.121 4.622 4.740 0.004 0.000 0.188 103 N C 1.068 176.610 175.510 0.052 0.000 1.013 103 N CA 1.004 54.053 53.050 -0.002 0.000 0.863 103 N CB -0.105 38.157 38.487 -0.375 0.000 0.990 103 N HN 0.344 nan 8.380 nan 0.000 0.430 104 L N 0.402 121.687 121.223 0.103 0.000 2.622 104 L HA -0.018 4.324 4.340 0.004 0.000 0.233 104 L C 1.271 178.170 176.870 0.048 0.000 1.156 104 L CA 0.896 55.767 54.840 0.051 0.000 0.866 104 L CB -0.405 41.647 42.059 -0.011 0.000 0.980 104 L HN 0.278 nan 8.230 nan 0.000 0.448 105 H N -2.502 116.726 119.070 0.264 0.000 2.542 105 H HA 0.095 4.653 4.556 0.004 0.000 0.283 105 H C 0.859 176.538 175.328 0.586 0.000 1.059 105 H CA 0.108 56.431 56.048 0.459 0.000 1.162 105 H CB 0.549 30.560 29.762 0.414 0.000 1.539 105 H HN 0.258 nan 8.280 nan 0.000 0.543 106 D N 0.421 121.120 120.400 0.499 0.000 2.317 106 D HA -0.030 4.612 4.640 0.004 0.000 0.211 106 D C 1.762 178.346 176.300 0.473 0.000 0.966 106 D CA 1.009 55.316 54.000 0.511 0.000 0.876 106 D CB 0.120 41.196 40.800 0.459 0.000 0.927 106 D HN 0.518 nan 8.370 nan 0.000 0.519 107 G N -0.526 108.530 108.800 0.427 0.000 2.143 107 G HA2 -0.182 3.780 3.960 0.004 0.000 0.248 107 G HA3 -0.182 3.780 3.960 0.004 0.000 0.248 107 G C 0.323 175.317 174.900 0.157 0.000 0.991 107 G CA 0.287 45.560 45.100 0.288 0.000 0.689 107 G HN 0.691 nan 8.290 nan 0.000 0.522 108 A N 0.955 123.832 122.820 0.094 0.000 2.478 108 A HA 0.597 4.920 4.320 0.004 0.000 0.327 108 A C 0.726 178.273 177.584 -0.061 0.000 1.431 108 A CA 0.038 52.010 52.037 -0.109 0.000 1.014 108 A CB -0.340 18.520 19.000 -0.233 0.000 1.143 108 A HN 0.847 nan 8.150 nan 0.000 0.532 109 N N 1.578 120.266 118.700 -0.020 0.000 2.441 109 N HA 0.326 5.069 4.740 0.004 0.000 0.251 109 N C 0.987 176.550 175.510 0.088 0.000 1.242 109 N CA 0.177 53.232 53.050 0.009 0.000 0.898 109 N CB 0.670 39.108 38.487 -0.082 0.000 1.100 109 N HN 0.971 nan 8.380 nan 0.000 0.443 110 G N -0.230 108.642 108.800 0.119 0.000 2.234 110 G HA2 -0.307 3.656 3.960 0.004 0.000 0.260 110 G HA3 -0.307 3.656 3.960 0.004 0.000 0.260 110 G C 0.462 175.381 174.900 0.032 0.000 0.987 110 G CA 0.563 45.724 45.100 0.101 0.000 0.625 110 G HN 0.514 nan 8.290 nan 0.000 0.532 111 V N -0.005 119.907 119.914 -0.003 0.000 3.001 111 V HA 0.217 4.340 4.120 0.004 0.000 0.228 111 V C 2.417 178.505 176.094 -0.009 0.000 1.204 111 V CA 2.430 64.692 62.300 -0.063 0.000 1.247 111 V CB 0.119 31.839 31.823 -0.172 0.000 1.093 111 V HN 0.760 nan 8.190 nan 0.000 0.504 112 T N -0.855 113.707 114.554 0.014 0.000 3.054 112 T HA 0.321 4.673 4.350 0.004 0.000 0.255 112 T C 0.229 175.078 174.700 0.249 0.000 1.035 112 T CA 0.255 62.385 62.100 0.050 0.000 0.941 112 T CB -0.095 68.779 68.868 0.011 0.000 1.026 112 T HN 0.749 nan 8.240 nan 0.000 0.533 113 E N -0.766 119.590 120.200 0.259 0.000 2.396 113 E HA 0.468 4.820 4.350 0.004 0.000 0.280 113 E C -1.490 175.089 176.600 -0.035 0.000 1.065 113 E CA -1.197 55.305 56.400 0.169 0.000 0.831 113 E CB 0.403 30.147 29.700 0.072 0.000 1.272 113 E HN 0.080 nan 8.360 nan 0.000 0.443 114 c N 1.577 120.024 118.600 -0.254 0.000 2.500 114 c HA 0.483 5.055 4.570 0.004 0.000 0.367 114 c C -2.053 171.784 174.090 -0.422 0.000 1.283 114 c CA -0.944 55.193 56.329 -0.321 0.000 2.456 114 c CB -0.265 42.084 42.510 -0.268 0.000 2.457 114 c HN 0.623 nan 8.230 nan 0.000 0.632 115 P HA 0.193 nan 4.420 nan 0.000 0.271 115 P C -0.589 176.438 177.300 -0.454 0.000 1.218 115 P CA 0.118 62.747 63.100 -0.784 0.000 0.780 115 P CB 0.182 31.000 31.700 -1.469 0.000 0.901 116 I N 4.558 124.975 120.570 -0.255 0.000 2.598 116 I HA 0.093 4.265 4.170 0.004 0.000 0.284 116 I C -1.745 174.359 176.117 -0.022 0.000 1.140 116 I CA -1.770 59.476 61.300 -0.090 0.000 1.420 116 I CB 0.198 38.164 38.000 -0.057 0.000 1.387 116 I HN 0.197 nan 8.210 nan 0.000 0.553 117 P HA 0.209 nan 4.420 nan 0.000 0.274 117 P C -2.505 174.712 177.300 -0.139 0.000 1.237 117 P CA -1.511 61.645 63.100 0.093 0.000 0.793 117 P CB -0.071 31.668 31.700 0.063 0.000 0.977 118 P HA 0.051 nan 4.420 nan 0.000 0.286 118 P C -0.298 176.884 177.300 -0.197 0.000 1.293 118 P CA -0.140 62.810 63.100 -0.251 0.000 0.770 118 P CB 0.240 31.762 31.700 -0.296 0.000 1.206 119 K N -1.536 118.799 120.400 -0.108 0.000 3.069 119 K HA -0.184 4.138 4.320 0.004 0.000 0.267 119 K C 0.797 177.376 176.600 -0.036 0.000 1.082 119 K CA 0.742 56.996 56.287 -0.055 0.000 0.782 119 K CB -2.437 30.035 32.500 -0.048 0.000 1.230 119 K HN 1.001 nan 8.250 nan 0.000 0.488 120 G N -1.409 107.371 108.800 -0.033 0.000 2.192 120 G HA2 -0.147 3.815 3.960 0.004 0.000 0.193 120 G HA3 -0.147 3.815 3.960 0.004 0.000 0.193 120 G C 0.376 175.271 174.900 -0.009 0.000 0.999 120 G CA -0.157 44.936 45.100 -0.010 0.000 0.659 120 G HN 0.686 nan 8.290 nan 0.000 0.503 121 G N 0.003 108.789 108.800 -0.024 0.000 2.559 121 G HA2 0.559 4.521 3.960 0.004 0.000 0.235 121 G HA3 0.559 4.521 3.960 0.004 0.000 0.235 121 G C 0.089 174.989 174.900 0.000 0.000 1.266 121 G CA 0.976 46.071 45.100 -0.009 0.000 0.847 121 G HN 1.302 nan 8.290 nan 0.000 0.583 122 Q N -0.362 119.438 119.800 0.001 0.000 2.462 122 Q HA 0.707 5.049 4.340 0.004 0.000 0.285 122 Q C -1.220 174.766 176.000 -0.023 0.000 1.035 122 Q CA -1.239 54.567 55.803 0.006 0.000 0.799 122 Q CB 2.354 31.101 28.738 0.015 0.000 1.452 122 Q HN 0.545 nan 8.270 nan 0.000 0.404 123 R N 0.903 121.383 120.500 -0.033 0.000 2.643 123 R HA 0.468 4.811 4.340 0.004 0.000 0.269 123 R C -1.599 174.633 176.300 -0.113 0.000 1.037 123 R CA -0.310 55.718 56.100 -0.120 0.000 0.894 123 R CB 2.767 32.918 30.300 -0.248 0.000 1.238 123 R HN 0.878 nan 8.270 nan 0.000 0.459 124 T N 3.762 118.244 114.554 -0.120 0.000 2.771 124 T HA 0.422 4.774 4.350 0.004 0.000 0.281 124 T C -0.914 173.762 174.700 -0.039 0.000 0.982 124 T CA -0.172 61.904 62.100 -0.040 0.000 0.978 124 T CB 0.319 69.178 68.868 -0.014 0.000 0.930 124 T HN 0.269 nan 8.240 nan 0.000 0.447 125 Y N 2.088 122.460 120.300 0.120 0.000 2.310 125 Y HA 0.603 5.155 4.550 0.003 0.000 0.326 125 Y C 0.819 176.731 175.900 0.021 0.000 1.151 125 Y CA -0.801 57.465 58.100 0.276 0.000 1.195 125 Y CB 1.134 39.815 38.460 0.367 0.000 1.210 125 Y HN 0.410 nan 8.280 nan 0.000 0.483 126 R N 4.567 125.170 120.500 0.171 0.000 2.522 126 R HA 0.379 4.721 4.340 0.004 0.000 0.283 126 R C -2.099 174.007 176.300 -0.323 0.000 1.074 126 R CA -0.573 55.363 56.100 -0.273 0.000 0.925 126 R CB 1.250 31.419 30.300 -0.219 0.000 1.205 126 R HN 0.877 nan 8.270 nan 0.000 0.436 127 W N 2.623 123.734 121.300 -0.315 0.000 3.213 127 W HA 0.481 5.143 4.660 0.004 0.000 0.318 127 W C -1.526 174.887 176.519 -0.176 0.000 1.248 127 W CA -1.171 56.019 57.345 -0.259 0.000 1.187 127 W CB 0.642 29.947 29.460 -0.259 0.000 1.403 127 W HN 0.419 nan 8.180 nan 0.000 0.556 128 R N 1.814 122.454 120.500 0.234 0.000 2.349 128 R HA 0.571 4.913 4.340 0.004 0.000 0.299 128 R C -0.259 176.231 176.300 0.317 0.000 1.027 128 R CA -0.155 56.039 56.100 0.156 0.000 0.958 128 R CB 1.276 31.635 30.300 0.098 0.000 1.047 128 R HN 0.550 nan 8.270 nan 0.000 0.468 129 A N 5.468 128.443 122.820 0.260 0.000 2.807 129 A HA 0.235 4.557 4.320 0.004 0.000 0.307 129 A C 0.136 177.921 177.584 0.335 0.000 1.532 129 A CA -0.360 51.887 52.037 0.349 0.000 1.215 129 A CB -0.176 18.999 19.000 0.292 0.000 1.127 129 A HN 0.885 nan 8.150 nan 0.000 0.543 130 R N 0.726 121.398 120.500 0.288 0.000 2.359 130 R HA 0.106 4.448 4.340 0.004 0.000 0.231 130 R C -0.444 176.046 176.300 0.315 0.000 0.913 130 R CA 0.381 56.687 56.100 0.343 0.000 1.075 130 R CB 0.282 30.717 30.300 0.225 0.000 1.087 130 R HN 0.800 nan 8.270 nan 0.000 0.515 131 Q N -0.089 119.773 119.800 0.103 0.000 2.379 131 Q HA 0.325 4.667 4.340 0.004 0.000 0.278 131 Q C -1.570 174.190 176.000 -0.400 0.000 1.068 131 Q CA -1.051 54.573 55.803 -0.298 0.000 0.816 131 Q CB 2.210 30.779 28.738 -0.281 0.000 1.387 131 Q HN 0.107 nan 8.270 nan 0.000 0.413 132 Y N -1.247 118.636 120.300 -0.695 0.000 2.485 132 Y HA 0.963 5.515 4.550 0.004 0.000 0.345 132 Y C 0.365 176.005 175.900 -0.433 0.000 0.998 132 Y CA -0.474 57.292 58.100 -0.557 0.000 1.059 132 Y CB 1.758 39.732 38.460 -0.811 0.000 1.234 132 Y HN 0.813 nan 8.280 nan 0.000 0.461 133 G N 0.597 109.307 108.800 -0.149 0.000 2.291 133 G HA2 0.286 4.248 3.960 0.004 0.000 0.249 133 G HA3 0.286 4.248 3.960 0.004 0.000 0.249 133 G C -1.538 173.319 174.900 -0.072 0.000 1.340 133 G CA -0.629 44.385 45.100 -0.144 0.000 1.017 133 G HN 0.732 nan 8.290 nan 0.000 0.470 134 T N 1.121 115.628 114.554 -0.079 0.000 2.786 134 T HA 0.791 5.143 4.350 0.004 0.000 0.283 134 T C -0.100 174.584 174.700 -0.027 0.000 0.992 134 T CA 0.085 62.163 62.100 -0.037 0.000 0.954 134 T CB 1.411 70.249 68.868 -0.050 0.000 0.934 134 T HN 0.722 nan 8.240 nan 0.000 0.440 135 S N 1.971 117.694 115.700 0.039 0.000 2.900 135 S HA 0.868 5.341 4.470 0.004 0.000 0.320 135 S C -1.565 173.173 174.600 0.230 0.000 1.130 135 S CA -0.925 57.342 58.200 0.111 0.000 0.863 135 S CB 1.456 64.683 63.200 0.044 0.000 1.295 135 S HN 0.809 nan 8.310 nan 0.000 0.596 136 W N 0.505 121.733 121.300 -0.121 0.000 3.005 136 W HA 0.658 5.320 4.660 0.003 0.000 0.343 136 W C -2.471 173.980 176.519 -0.114 0.000 1.243 136 W CA -1.304 55.936 57.345 -0.175 0.000 1.186 136 W CB -0.220 29.047 29.460 -0.323 0.000 1.453 136 W HN 0.755 nan 8.180 nan 0.000 0.575 137 Y N -0.101 120.107 120.300 -0.154 0.000 2.576 137 Y HA 0.821 5.373 4.550 0.004 0.000 0.346 137 Y C -0.827 174.774 175.900 -0.498 0.000 1.018 137 Y CA -1.416 56.356 58.100 -0.546 0.000 1.050 137 Y CB 1.758 39.971 38.460 -0.411 0.000 1.280 137 Y HN 0.748 nan 8.280 nan 0.000 0.474 138 H N -1.817 116.957 119.070 -0.494 0.000 3.024 138 H HA 0.503 5.061 4.556 0.004 0.000 0.324 138 H C -1.199 173.969 175.328 -0.265 0.000 1.347 138 H CA -0.977 54.821 56.048 -0.417 0.000 1.182 138 H CB 0.903 30.136 29.762 -0.881 0.000 1.889 138 H HN 0.804 nan 8.280 nan 0.000 0.528 139 S N -0.107 115.648 115.700 0.092 0.000 2.573 139 S HA -0.011 4.461 4.470 0.004 0.000 0.277 139 S C 0.112 174.850 174.600 0.230 0.000 1.346 139 S CA -0.181 58.095 58.200 0.127 0.000 1.034 139 S CB 0.049 63.365 63.200 0.194 0.000 0.879 139 S HN 0.812 nan 8.310 nan 0.000 0.528 140 H N 2.960 122.121 119.070 0.152 0.000 2.581 140 H HA 0.225 4.783 4.556 0.003 0.000 0.275 140 H C -0.812 174.621 175.328 0.174 0.000 1.126 140 H CA -0.331 55.819 56.048 0.170 0.000 1.097 140 H CB -0.121 29.679 29.762 0.063 0.000 1.626 140 H HN 0.593 nan 8.280 nan 0.000 0.565 141 F N 2.062 122.093 119.950 0.135 0.000 2.464 141 F HA 0.210 4.738 4.527 0.002 0.000 0.353 141 F C 1.278 177.193 175.800 0.192 0.000 1.191 141 F CA 0.572 58.599 58.000 0.046 0.000 1.147 141 F CB -0.090 38.817 39.000 -0.156 0.000 1.294 141 F HN 0.149 nan 8.300 nan 0.000 0.583 142 S N 4.069 119.820 115.700 0.085 0.000 3.917 142 S HA -0.372 4.101 4.470 0.004 0.000 0.601 142 S C 1.108 175.799 174.600 0.151 0.000 2.206 142 S CA 1.287 59.563 58.200 0.127 0.000 4.167 142 S CB -1.406 61.864 63.200 0.116 0.000 0.372 142 S HN 1.439 nan 8.310 nan 0.000 0.766 143 A N 0.943 123.848 122.820 0.142 0.000 2.462 143 A HA 0.358 4.680 4.320 0.004 0.000 0.261 143 A C 1.626 179.233 177.584 0.038 0.000 1.323 143 A CA 1.057 53.119 52.037 0.042 0.000 0.913 143 A CB -0.489 18.570 19.000 0.097 0.000 1.028 143 A HN 0.681 nan 8.150 nan 0.000 0.511 144 Q N -0.369 119.537 119.800 0.176 0.000 2.197 144 Q HA -0.259 4.083 4.340 0.004 0.000 0.207 144 Q C 1.583 177.674 176.000 0.152 0.000 0.984 144 Q CA 2.329 58.248 55.803 0.192 0.000 0.869 144 Q CB -0.381 28.526 28.738 0.282 0.000 0.906 144 Q HN 0.981 nan 8.270 nan 0.000 0.426 145 Y N -2.391 117.957 120.300 0.080 0.000 2.421 145 Y HA 0.138 4.691 4.550 0.005 0.000 0.292 145 Y C 1.802 177.740 175.900 0.063 0.000 1.136 145 Y CA 0.869 59.006 58.100 0.062 0.000 1.255 145 Y CB -0.929 37.560 38.460 0.050 0.000 0.991 145 Y HN 0.010 nan 8.280 nan 0.000 0.552 146 G N 0.705 109.346 108.800 -0.265 0.000 2.559 146 G HA2 -0.225 3.737 3.960 0.004 0.000 0.216 146 G HA3 -0.225 3.737 3.960 0.004 0.000 0.216 146 G C 1.186 176.114 174.900 0.045 0.000 1.126 146 G CA 0.681 45.697 45.100 -0.141 0.000 0.778 146 G HN 0.422 nan 8.290 nan 0.000 0.543 147 N N 0.074 118.806 118.700 0.052 0.000 2.280 147 N HA 0.159 4.901 4.740 0.004 0.000 0.192 147 N C 1.556 177.064 175.510 -0.003 0.000 1.109 147 N CA 0.881 53.956 53.050 0.042 0.000 0.855 147 N CB 0.809 39.319 38.487 0.039 0.000 0.974 147 N HN 0.399 nan 8.380 nan 0.000 0.482 148 G N -0.765 108.055 108.800 0.032 0.000 2.273 148 G HA2 -0.198 3.764 3.960 0.004 0.000 0.162 148 G HA3 -0.198 3.764 3.960 0.004 0.000 0.162 148 G C -0.215 174.693 174.900 0.014 0.000 1.006 148 G CA -0.324 44.766 45.100 -0.017 0.000 0.704 148 G HN 0.097 nan 8.290 nan 0.000 0.487 149 V N 2.335 122.295 119.914 0.077 0.000 2.153 149 V HA 0.524 4.646 4.120 0.004 0.000 0.250 149 V C 0.554 176.720 176.094 0.120 0.000 1.334 149 V CA 0.265 62.617 62.300 0.086 0.000 1.249 149 V CB -0.007 31.877 31.823 0.102 0.000 1.371 149 V HN 1.153 nan 8.190 nan 0.000 0.498 150 V N 0.465 120.401 119.914 0.035 0.000 3.077 150 V HA 1.103 5.225 4.120 0.004 0.000 0.299 150 V C -0.161 175.718 176.094 -0.359 0.000 1.276 150 V CA -0.061 62.198 62.300 -0.068 0.000 0.993 150 V CB 1.590 33.480 31.823 0.112 0.000 1.076 150 V HN 0.681 nan 8.190 nan 0.000 0.434 151 G N 0.996 109.251 108.800 -0.908 0.000 2.548 151 G HA2 0.816 4.779 3.960 0.004 0.000 0.301 151 G HA3 0.816 4.779 3.960 0.004 0.000 0.301 151 G C -0.680 173.756 174.900 -0.773 0.000 1.349 151 G CA 0.127 44.686 45.100 -0.902 0.000 0.792 151 G HN 1.669 nan 8.290 nan 0.000 0.481 152 T N -2.110 112.292 114.554 -0.255 0.000 2.949 152 T HA 0.805 5.157 4.350 0.004 0.000 0.287 152 T C -0.480 174.357 174.700 0.228 0.000 1.034 152 T CA -0.722 61.378 62.100 0.000 0.000 1.018 152 T CB 1.772 70.643 68.868 0.006 0.000 1.135 152 T HN 0.548 nan 8.240 nan 0.000 0.532 153 I N 1.049 121.752 120.570 0.222 0.000 2.499 153 I HA 0.394 4.567 4.170 0.004 0.000 0.288 153 I C -0.560 175.653 176.117 0.160 0.000 1.048 153 I CA -0.721 60.733 61.300 0.256 0.000 1.062 153 I CB 2.283 40.473 38.000 0.318 0.000 1.238 153 I HN 0.687 nan 8.210 nan 0.000 0.426 154 Q N 6.841 126.733 119.800 0.153 0.000 2.363 154 Q HA 0.460 4.802 4.340 0.004 0.000 0.265 154 Q C -1.555 174.524 176.000 0.132 0.000 1.032 154 Q CA -0.651 55.221 55.803 0.115 0.000 0.746 154 Q CB 1.341 30.140 28.738 0.103 0.000 1.237 154 Q HN 0.491 nan 8.270 nan 0.000 0.475 155 I N 3.793 124.429 120.570 0.110 0.000 2.307 155 I HA 0.280 4.453 4.170 0.004 0.000 0.289 155 I C 0.025 176.185 176.117 0.071 0.000 1.021 155 I CA -0.602 60.770 61.300 0.121 0.000 1.224 155 I CB 0.718 38.797 38.000 0.132 0.000 1.376 155 I HN 0.618 nan 8.210 nan 0.000 0.470 156 N N 4.399 123.157 118.700 0.097 0.000 2.482 156 N HA 0.594 5.337 4.740 0.004 0.000 0.260 156 N C 0.459 175.737 175.510 -0.386 0.000 1.236 156 N CA 0.208 53.280 53.050 0.035 0.000 0.938 156 N CB 2.005 40.654 38.487 0.270 0.000 1.128 156 N HN 0.889 nan 8.380 nan 0.000 0.448 157 G N 0.378 108.702 108.800 -0.794 0.000 2.427 157 G HA2 0.306 4.268 3.960 0.004 0.000 0.306 157 G HA3 0.306 4.268 3.960 0.004 0.000 0.306 157 G C -3.157 171.097 174.900 -1.077 0.000 1.280 157 G CA -0.548 43.458 45.100 -1.823 0.000 0.837 157 G HN 0.313 nan 8.290 nan 0.000 0.482 158 P HA 0.595 nan 4.420 nan 0.000 0.279 158 P C -0.469 176.751 177.300 -0.134 0.000 1.282 158 P CA 0.096 63.025 63.100 -0.284 0.000 0.788 158 P CB 1.642 33.242 31.700 -0.167 0.000 1.139 159 A N -0.419 122.439 122.820 0.063 0.000 2.594 159 A HA 0.494 4.816 4.320 0.004 0.000 0.291 159 A C 0.634 178.302 177.584 0.141 0.000 1.105 159 A CA -0.130 52.000 52.037 0.154 0.000 0.694 159 A CB 0.538 19.727 19.000 0.314 0.000 1.291 159 A HN 0.455 nan 8.150 nan 0.000 0.410 160 S N -0.185 115.596 115.700 0.135 0.000 2.593 160 S HA 0.440 4.912 4.470 0.004 0.000 0.217 160 S C 0.228 174.894 174.600 0.111 0.000 0.966 160 S CA 0.214 58.481 58.200 0.111 0.000 0.914 160 S CB -0.581 62.675 63.200 0.094 0.000 0.776 160 S HN 0.529 nan 8.310 nan 0.000 0.523 161 L N 1.399 122.712 121.223 0.149 0.000 2.424 161 L HA 0.536 4.878 4.340 0.004 0.000 0.258 161 L C -2.732 174.241 176.870 0.172 0.000 0.995 161 L CA -2.605 52.321 54.840 0.143 0.000 0.821 161 L CB 2.695 44.843 42.059 0.147 0.000 1.383 161 L HN -0.081 nan 8.230 nan 0.000 0.410 162 P HA 0.217 nan 4.420 nan 0.000 0.272 162 P C -1.788 175.571 177.300 0.098 0.000 1.223 162 P CA 0.186 63.287 63.100 0.001 0.000 0.784 162 P CB 0.560 32.254 31.700 -0.010 0.000 0.923 163 Y N -2.037 118.266 120.300 0.004 0.000 2.641 163 Y HA 0.408 4.960 4.550 0.004 0.000 0.333 163 Y C 0.198 176.072 175.900 -0.042 0.000 1.174 163 Y CA -0.932 57.156 58.100 -0.020 0.000 1.057 163 Y CB -0.050 38.406 38.460 -0.008 0.000 1.322 163 Y HN 0.128 nan 8.280 nan 0.000 0.457 164 D N 1.261 121.704 120.400 0.071 0.000 2.201 164 D HA 0.192 4.835 4.640 0.004 0.000 0.209 164 D C 0.046 176.360 176.300 0.023 0.000 0.961 164 D CA 1.456 55.435 54.000 -0.035 0.000 0.861 164 D CB 1.038 41.772 40.800 -0.110 0.000 0.997 164 D HN 0.488 nan 8.370 nan 0.000 0.486 165 I N 0.982 121.604 120.570 0.086 0.000 2.533 165 I HA 0.115 4.287 4.170 0.004 0.000 0.290 165 I C -0.847 175.365 176.117 0.158 0.000 1.056 165 I CA -0.818 60.521 61.300 0.066 0.000 1.057 165 I CB 2.882 40.828 38.000 -0.090 0.000 1.240 165 I HN -0.315 nan 8.210 nan 0.000 0.423 166 D N 6.431 126.933 120.400 0.170 0.000 2.396 166 D HA 0.289 4.931 4.640 0.004 0.000 0.225 166 D C 0.639 176.959 176.300 0.034 0.000 1.121 166 D CA -0.083 53.972 54.000 0.091 0.000 0.853 166 D CB 1.336 42.235 40.800 0.164 0.000 1.043 166 D HN 0.448 nan 8.370 nan 0.000 0.500 167 L N 2.980 124.194 121.223 -0.015 0.000 2.478 167 L HA 0.189 4.532 4.340 0.004 0.000 0.223 167 L C 1.589 178.425 176.870 -0.056 0.000 1.140 167 L CA 0.522 55.331 54.840 -0.051 0.000 0.842 167 L CB -0.593 41.388 42.059 -0.130 0.000 0.953 167 L HN 0.673 nan 8.230 nan 0.000 0.452 168 G N -0.084 108.696 108.800 -0.033 0.000 2.615 168 G HA2 -0.215 3.747 3.960 0.004 0.000 0.218 168 G HA3 -0.215 3.747 3.960 0.004 0.000 0.218 168 G C -0.279 174.620 174.900 -0.001 0.000 1.339 168 G CA -0.437 44.661 45.100 -0.003 0.000 0.884 168 G HN 0.204 nan 8.290 nan 0.000 0.559 169 V N -2.988 116.945 119.914 0.031 0.000 2.881 169 V HA 0.760 4.883 4.120 0.004 0.000 0.303 169 V C 0.305 176.479 176.094 0.132 0.000 1.070 169 V CA -0.059 62.270 62.300 0.048 0.000 1.074 169 V CB 1.521 33.360 31.823 0.027 0.000 1.012 169 V HN 1.619 nan 8.190 nan 0.000 0.482 170 F N 5.065 124.942 119.950 -0.121 0.000 2.872 170 F HA 0.529 5.059 4.527 0.005 0.000 0.363 170 F C -2.636 173.062 175.800 -0.170 0.000 1.357 170 F CA -2.633 55.273 58.000 -0.156 0.000 1.174 170 F CB 1.461 40.354 39.000 -0.179 0.000 1.860 170 F HN 0.474 nan 8.300 nan 0.000 0.615 171 P HA 0.316 nan 4.420 nan 0.000 0.276 171 P C -0.441 176.637 177.300 -0.369 0.000 1.235 171 P CA 0.157 63.091 63.100 -0.276 0.000 0.772 171 P CB 1.663 33.220 31.700 -0.238 0.000 0.871 172 I N 2.237 122.603 120.570 -0.339 0.000 2.433 172 I HA 0.458 4.630 4.170 0.004 0.000 0.292 172 I C 0.552 176.568 176.117 -0.168 0.000 1.001 172 I CA -0.374 60.706 61.300 -0.366 0.000 1.119 172 I CB 2.190 39.908 38.000 -0.470 0.000 1.289 172 I HN 0.272 nan 8.210 nan 0.000 0.438 173 T N 3.333 117.816 114.554 -0.119 0.000 2.916 173 T HA 0.306 4.658 4.350 0.004 0.000 0.305 173 T C -1.207 173.607 174.700 0.189 0.000 1.119 173 T CA -0.779 61.377 62.100 0.095 0.000 1.008 173 T CB 1.250 70.123 68.868 0.007 0.000 1.129 173 T HN 0.692 nan 8.240 nan 0.000 0.480 174 D N 2.001 122.589 120.400 0.314 0.000 2.378 174 D HA 0.230 4.873 4.640 0.004 0.000 0.238 174 D C -0.830 175.527 176.300 0.096 0.000 1.180 174 D CA 0.096 54.188 54.000 0.153 0.000 0.895 174 D CB 0.217 41.070 40.800 0.088 0.000 1.192 174 D HN 0.444 nan 8.370 nan 0.000 0.438 175 Y N 0.430 120.539 120.300 -0.317 0.000 2.361 175 Y HA 0.387 4.941 4.550 0.005 0.000 0.328 175 Y C -1.982 173.626 175.900 -0.486 0.000 1.044 175 Y CA -1.325 56.653 58.100 -0.204 0.000 1.085 175 Y CB 1.007 39.417 38.460 -0.082 0.000 1.194 175 Y HN 0.342 nan 8.280 nan 0.000 0.438 176 Y N 5.406 125.511 120.300 -0.325 0.000 2.393 176 Y HA 0.318 4.871 4.550 0.004 0.000 0.341 176 Y C -0.089 175.539 175.900 -0.453 0.000 0.988 176 Y CA -0.883 56.984 58.100 -0.389 0.000 1.078 176 Y CB 0.943 39.335 38.460 -0.113 0.000 1.203 176 Y HN 0.581 nan 8.280 nan 0.000 0.453 177 Y N -0.102 120.099 120.300 -0.165 0.000 2.395 177 Y HA 0.087 4.639 4.550 0.003 0.000 0.293 177 Y C 1.010 176.885 175.900 -0.042 0.000 1.123 177 Y CA -0.123 57.887 58.100 -0.150 0.000 1.227 177 Y CB -0.251 38.146 38.460 -0.105 0.000 1.012 177 Y HN 0.322 nan 8.280 nan 0.000 0.552 178 R N 0.464 121.028 120.500 0.106 0.000 2.641 178 R HA 0.451 4.794 4.340 0.004 0.000 0.269 178 R C 0.307 176.636 176.300 0.048 0.000 1.074 178 R CA -0.052 56.074 56.100 0.043 0.000 1.133 178 R CB 0.474 30.747 30.300 -0.045 0.000 1.029 178 R HN 0.112 nan 8.270 nan 0.000 0.488 179 A N 1.458 124.300 122.820 0.036 0.000 2.332 179 A HA 0.410 4.733 4.320 0.004 0.000 0.258 179 A C 1.157 178.766 177.584 0.042 0.000 1.087 179 A CA 0.211 52.278 52.037 0.050 0.000 0.802 179 A CB 0.620 19.646 19.000 0.043 0.000 1.042 179 A HN 0.894 nan 8.150 nan 0.000 0.489 180 A N 0.322 123.190 122.820 0.079 0.000 1.908 180 A HA -0.161 4.161 4.320 0.004 0.000 0.218 180 A C 1.563 179.222 177.584 0.124 0.000 1.181 180 A CA 2.032 54.147 52.037 0.130 0.000 0.627 180 A CB -0.612 18.467 19.000 0.131 0.000 0.818 180 A HN 0.843 nan 8.150 nan 0.000 0.445 181 D N -0.634 119.826 120.400 0.100 0.000 2.178 181 D HA -0.144 4.499 4.640 0.004 0.000 0.202 181 D C 1.463 177.806 176.300 0.071 0.000 0.974 181 D CA 1.574 55.634 54.000 0.100 0.000 0.841 181 D CB -0.215 40.626 40.800 0.068 0.000 0.953 181 D HN 0.519 nan 8.370 nan 0.000 0.478 182 D N 0.730 121.146 120.400 0.027 0.000 2.144 182 D HA -0.085 4.557 4.640 0.004 0.000 0.200 182 D C 2.290 178.599 176.300 0.015 0.000 0.978 182 D CA 0.553 54.565 54.000 0.021 0.000 0.833 182 D CB -0.124 40.666 40.800 -0.017 0.000 0.961 182 D HN 0.147 nan 8.370 nan 0.000 0.470 183 L N -0.447 120.712 121.223 -0.107 0.000 2.109 183 L HA -0.087 4.256 4.340 0.004 0.000 0.207 183 L C 2.575 179.228 176.870 -0.362 0.000 1.086 183 L CA 0.343 54.966 54.840 -0.361 0.000 0.760 183 L CB -0.209 41.410 42.059 -0.732 0.000 0.910 183 L HN -0.006 nan 8.230 nan 0.000 0.437 184 V N -0.453 119.408 119.914 -0.088 0.000 2.295 184 V HA -0.351 3.772 4.120 0.004 0.000 0.246 184 V C 2.468 178.612 176.094 0.084 0.000 1.049 184 V CA 2.242 64.588 62.300 0.076 0.000 1.024 184 V CB -0.684 31.265 31.823 0.209 0.000 0.648 184 V HN 0.534 nan 8.190 nan 0.000 0.447 185 H N -0.625 118.465 119.070 0.034 0.000 2.352 185 H HA -0.245 4.315 4.556 0.007 0.000 0.299 185 H C 1.982 177.342 175.328 0.053 0.000 1.097 185 H CA 2.340 58.416 56.048 0.048 0.000 1.311 185 H CB -0.311 29.480 29.762 0.049 0.000 1.377 185 H HN 0.365 nan 8.280 nan 0.000 0.504 186 F N 1.253 121.169 119.950 -0.057 0.000 2.069 186 F HA -0.221 4.307 4.527 0.002 0.000 0.298 186 F C 2.608 178.326 175.800 -0.137 0.000 1.113 186 F CA 2.261 60.192 58.000 -0.114 0.000 1.214 186 F CB -0.949 37.974 39.000 -0.130 0.000 0.978 186 F HN 0.355 nan 8.300 nan 0.000 0.474 187 T N -2.085 112.384 114.554 -0.142 0.000 3.113 187 T HA -0.111 4.242 4.350 0.004 0.000 0.263 187 T C 1.616 176.344 174.700 0.047 0.000 1.143 187 T CA 0.938 62.954 62.100 -0.140 0.000 1.090 187 T CB -0.513 68.238 68.868 -0.195 0.000 0.922 187 T HN 0.497 nan 8.240 nan 0.000 0.521 188 Q N 1.059 120.844 119.800 -0.025 0.000 2.291 188 Q HA 0.006 4.349 4.340 0.004 0.000 0.206 188 Q C 0.987 176.947 176.000 -0.067 0.000 0.976 188 Q CA 1.266 57.072 55.803 0.004 0.000 0.875 188 Q CB -0.112 28.567 28.738 -0.098 0.000 0.927 188 Q HN 0.711 nan 8.270 nan 0.000 0.450 189 N N -0.765 117.830 118.700 -0.175 0.000 2.116 189 N HA 0.126 4.868 4.740 0.004 0.000 0.230 189 N C -1.080 174.288 175.510 -0.237 0.000 1.326 189 N CA -0.124 52.734 53.050 -0.320 0.000 0.867 189 N CB 0.874 39.164 38.487 -0.327 0.000 1.174 189 N HN -0.015 nan 8.380 nan 0.000 0.506 190 N N 0.470 119.077 118.700 -0.155 0.000 2.277 190 N HA 0.400 5.142 4.740 0.004 0.000 0.286 190 N C -1.026 174.416 175.510 -0.113 0.000 1.140 190 N CA -0.492 52.383 53.050 -0.292 0.000 0.799 190 N CB 2.014 39.713 38.487 -1.313 0.000 1.596 190 N HN -0.013 nan 8.380 nan 0.000 0.473 191 A N 1.947 124.743 122.820 -0.040 0.000 2.483 191 A HA 0.278 4.600 4.320 0.004 0.000 0.238 191 A C -1.944 175.669 177.584 0.048 0.000 1.070 191 A CA -0.512 51.494 52.037 -0.051 0.000 0.770 191 A CB -0.533 18.452 19.000 -0.025 0.000 1.008 191 A HN 0.405 nan 8.150 nan 0.000 0.497 192 P HA 0.246 nan 4.420 nan 0.000 0.271 192 P C -2.546 174.894 177.300 0.233 0.000 1.218 192 P CA -0.881 62.300 63.100 0.135 0.000 0.780 192 P CB 0.058 31.895 31.700 0.228 0.000 0.901 193 P HA 0.224 nan 4.420 nan 0.000 0.276 193 P C -0.176 177.371 177.300 0.411 0.000 1.252 193 P CA -0.325 62.920 63.100 0.241 0.000 0.802 193 P CB 0.422 32.186 31.700 0.107 0.000 1.035 194 F N 0.410 120.399 119.950 0.066 0.000 2.545 194 F HA 0.048 4.578 4.527 0.004 0.000 0.348 194 F C 1.698 177.508 175.800 0.018 0.000 1.163 194 F CA -0.467 57.531 58.000 -0.003 0.000 1.331 194 F CB -0.213 38.729 39.000 -0.097 0.000 1.138 194 F HN 0.266 nan 8.300 nan 0.000 0.602 195 S N 1.126 116.816 115.700 -0.017 0.000 2.585 195 S HA 0.104 4.576 4.470 0.004 0.000 0.273 195 S C 0.671 175.085 174.600 -0.310 0.000 1.339 195 S CA -0.741 57.188 58.200 -0.453 0.000 1.028 195 S CB 0.896 63.786 63.200 -0.515 0.000 0.906 195 S HN 0.557 nan 8.310 nan 0.000 0.528 196 D N 0.778 120.874 120.400 -0.506 0.000 2.224 196 D HA 0.060 4.703 4.640 0.004 0.000 0.205 196 D C 0.443 176.587 176.300 -0.260 0.000 0.965 196 D CA 1.068 54.794 54.000 -0.458 0.000 0.852 196 D CB -0.096 40.021 40.800 -1.137 0.000 0.947 196 D HN 0.505 nan 8.370 nan 0.000 0.494 197 N N -1.087 117.495 118.700 -0.197 0.000 2.934 197 N HA 0.217 4.960 4.740 0.004 0.000 0.253 197 N C -1.866 173.652 175.510 0.013 0.000 1.466 197 N CA -0.508 52.540 53.050 -0.004 0.000 0.858 197 N CB 2.225 40.800 38.487 0.148 0.000 1.459 197 N HN -0.356 nan 8.380 nan 0.000 0.532 198 V N 2.051 121.974 119.914 0.015 0.000 2.443 198 V HA 0.481 4.603 4.120 0.004 0.000 0.293 198 V C -0.104 175.921 176.094 -0.115 0.000 1.021 198 V CA -0.675 61.603 62.300 -0.036 0.000 0.848 198 V CB 1.343 33.105 31.823 -0.102 0.000 0.998 198 V HN 0.434 nan 8.190 nan 0.000 0.424 199 L N 5.746 126.883 121.223 -0.144 0.000 2.350 199 L HA 0.584 4.926 4.340 0.004 0.000 0.275 199 L C -0.487 176.213 176.870 -0.282 0.000 1.099 199 L CA -0.307 54.405 54.840 -0.212 0.000 0.808 199 L CB 1.187 43.093 42.059 -0.256 0.000 1.149 199 L HN 0.465 nan 8.230 nan 0.000 0.442 200 I N 3.117 123.508 120.570 -0.299 0.000 2.382 200 I HA 0.221 4.393 4.170 0.004 0.000 0.286 200 I C 0.192 176.029 176.117 -0.466 0.000 1.002 200 I CA -0.488 60.523 61.300 -0.481 0.000 1.135 200 I CB 1.345 39.062 38.000 -0.471 0.000 1.288 200 I HN 0.678 nan 8.210 nan 0.000 0.448 201 N N 5.091 123.479 118.700 -0.520 0.000 2.727 201 N HA -0.214 4.528 4.740 0.004 0.000 0.249 201 N C 0.782 176.188 175.510 -0.173 0.000 1.048 201 N CA 1.417 54.292 53.050 -0.292 0.000 0.714 201 N CB -0.675 37.706 38.487 -0.178 0.000 0.959 201 N HN 1.138 nan 8.380 nan 0.000 0.544 202 G N -2.964 105.725 108.800 -0.185 0.000 2.195 202 G HA2 -0.216 3.746 3.960 0.004 0.000 0.246 202 G HA3 -0.216 3.746 3.960 0.004 0.000 0.246 202 G C 0.238 175.050 174.900 -0.146 0.000 0.984 202 G CA 0.889 45.909 45.100 -0.133 0.000 0.633 202 G HN 1.049 nan 8.290 nan 0.000 0.525 203 T N -0.912 113.547 114.554 -0.158 0.000 2.864 203 T HA 0.928 5.280 4.350 0.004 0.000 0.299 203 T C -0.673 173.944 174.700 -0.138 0.000 1.166 203 T CA 0.846 62.862 62.100 -0.140 0.000 1.007 203 T CB 1.568 70.382 68.868 -0.091 0.000 1.219 203 T HN 1.941 nan 8.240 nan 0.000 0.506 204 A N 1.478 124.217 122.820 -0.135 0.000 2.586 204 A HA 0.723 5.045 4.320 0.004 0.000 0.290 204 A C -1.464 176.009 177.584 -0.185 0.000 1.086 204 A CA -0.567 51.393 52.037 -0.129 0.000 0.665 204 A CB 1.044 19.991 19.000 -0.088 0.000 1.279 204 A HN 0.769 nan 8.150 nan 0.000 0.423 205 V N 2.142 121.885 119.914 -0.284 0.000 2.509 205 V HA 0.285 4.407 4.120 0.004 0.000 0.284 205 V C 0.467 176.495 176.094 -0.111 0.000 1.047 205 V CA -0.817 61.305 62.300 -0.296 0.000 0.952 205 V CB 1.553 33.034 31.823 -0.570 0.000 0.988 205 V HN 0.827 nan 8.190 nan 0.000 0.469 206 N N 6.897 125.565 118.700 -0.053 0.000 2.452 206 N HA 0.126 4.869 4.740 0.004 0.000 0.266 206 N C -1.378 174.144 175.510 0.020 0.000 1.175 206 N CA -1.486 51.578 53.050 0.023 0.000 0.945 206 N CB 1.767 40.273 38.487 0.031 0.000 1.063 206 N HN 0.349 nan 8.380 nan 0.000 0.472 207 P HA -0.053 nan 4.420 nan 0.000 0.223 207 P C 0.006 177.333 177.300 0.045 0.000 1.151 207 P CA 1.272 64.399 63.100 0.045 0.000 0.787 207 P CB 0.517 32.248 31.700 0.051 0.000 0.788 208 N N -0.835 117.893 118.700 0.045 0.000 2.439 208 N HA -0.035 4.707 4.740 0.004 0.000 0.176 208 N C 1.663 177.188 175.510 0.025 0.000 1.029 208 N CA 1.300 54.372 53.050 0.037 0.000 0.886 208 N CB -0.199 38.313 38.487 0.042 0.000 1.057 208 N HN 0.177 nan 8.380 nan 0.000 0.437 209 T N -3.863 110.701 114.554 0.017 0.000 2.990 209 T HA 0.342 4.694 4.350 0.004 0.000 0.249 209 T C 1.584 176.284 174.700 0.000 0.000 1.039 209 T CA 0.555 62.657 62.100 0.004 0.000 1.036 209 T CB 0.556 69.419 68.868 -0.009 0.000 0.994 209 T HN 0.226 nan 8.240 nan 0.000 0.489 210 G N 1.224 110.022 108.800 -0.003 0.000 2.176 210 G HA2 -0.228 3.734 3.960 0.004 0.000 0.253 210 G HA3 -0.228 3.734 3.960 0.004 0.000 0.253 210 G C -0.125 174.752 174.900 -0.039 0.000 0.979 210 G CA 0.169 45.261 45.100 -0.013 0.000 0.641 210 G HN 0.667 nan 8.290 nan 0.000 0.530 211 E N 0.042 120.218 120.200 -0.040 0.000 2.392 211 E HA 0.486 4.838 4.350 0.004 0.000 0.256 211 E C 1.049 177.600 176.600 -0.082 0.000 1.145 211 E CA 0.610 56.977 56.400 -0.054 0.000 0.929 211 E CB 0.699 30.369 29.700 -0.049 0.000 0.998 211 E HN 1.501 nan 8.360 nan 0.000 0.442 212 G N 0.656 109.403 108.800 -0.088 0.000 2.548 212 G HA2 -0.170 3.792 3.960 0.004 0.000 0.208 212 G HA3 -0.170 3.792 3.960 0.004 0.000 0.208 212 G C -1.198 173.624 174.900 -0.131 0.000 1.308 212 G CA -0.162 44.873 45.100 -0.110 0.000 0.924 212 G HN 0.630 nan 8.290 nan 0.000 0.540 213 Q N -1.668 118.041 119.800 -0.151 0.000 2.482 213 Q HA 0.654 4.996 4.340 0.004 0.000 0.286 213 Q C -1.632 174.287 176.000 -0.136 0.000 1.007 213 Q CA -1.165 54.556 55.803 -0.135 0.000 0.801 213 Q CB 1.449 30.163 28.738 -0.040 0.000 1.455 213 Q HN 0.717 nan 8.270 nan 0.000 0.398 214 Y N 0.875 121.208 120.300 0.056 0.000 2.359 214 Y HA 0.465 5.018 4.550 0.004 0.000 0.330 214 Y C 0.793 176.724 175.900 0.052 0.000 1.143 214 Y CA 0.164 58.318 58.100 0.089 0.000 1.318 214 Y CB 1.096 39.671 38.460 0.192 0.000 1.234 214 Y HN 0.769 nan 8.280 nan 0.000 0.522 215 A N 3.014 125.948 122.820 0.189 0.000 2.520 215 A HA 0.152 4.475 4.320 0.004 0.000 0.235 215 A C 0.029 177.693 177.584 0.133 0.000 1.065 215 A CA -0.094 52.011 52.037 0.113 0.000 0.764 215 A CB -0.137 18.897 19.000 0.056 0.000 1.002 215 A HN 0.751 nan 8.150 nan 0.000 0.502 216 N N 1.500 120.221 118.700 0.034 0.000 2.549 216 N HA 0.417 5.159 4.740 0.004 0.000 0.281 216 N C -1.639 173.763 175.510 -0.180 0.000 1.084 216 N CA -0.335 52.688 53.050 -0.046 0.000 0.862 216 N CB 1.518 39.986 38.487 -0.032 0.000 1.333 216 N HN 0.263 nan 8.380 nan 0.000 0.523 217 V N 2.719 122.384 119.914 -0.416 0.000 2.370 217 V HA 0.452 4.574 4.120 0.004 0.000 0.279 217 V C 0.284 176.105 176.094 -0.455 0.000 1.029 217 V CA -0.449 61.456 62.300 -0.659 0.000 0.870 217 V CB 1.342 32.243 31.823 -1.537 0.000 0.984 217 V HN 0.607 nan 8.190 nan 0.000 0.451 218 T N 6.954 121.349 114.554 -0.265 0.000 2.749 218 T HA 0.547 4.899 4.350 0.004 0.000 0.287 218 T C -0.159 174.410 174.700 -0.219 0.000 0.970 218 T CA -0.217 61.814 62.100 -0.115 0.000 0.980 218 T CB 0.530 69.416 68.868 0.029 0.000 0.924 218 T HN 0.339 nan 8.240 nan 0.000 0.456 219 L N 3.151 124.183 121.223 -0.319 0.000 2.312 219 L HA 0.380 4.722 4.340 0.004 0.000 0.281 219 L C 0.694 177.425 176.870 -0.233 0.000 1.070 219 L CA -0.689 53.832 54.840 -0.531 0.000 0.805 219 L CB 1.108 42.655 42.059 -0.852 0.000 1.174 219 L HN 0.549 nan 8.230 nan 0.000 0.434 220 T N 4.088 118.753 114.554 0.185 0.000 2.728 220 T HA 0.247 4.600 4.350 0.004 0.000 0.296 220 T C -2.355 172.377 174.700 0.054 0.000 0.940 220 T CA -1.158 61.003 62.100 0.102 0.000 1.013 220 T CB 0.975 69.910 68.868 0.111 0.000 0.912 220 T HN 0.288 nan 8.240 nan 0.000 0.484 221 P HA 0.158 nan 4.420 nan 0.000 0.264 221 P C 1.095 178.450 177.300 0.091 0.000 1.183 221 P CA 0.809 63.962 63.100 0.089 0.000 0.763 221 P CB 0.292 32.089 31.700 0.162 0.000 0.807 222 G N 1.245 110.115 108.800 0.116 0.000 2.184 222 G HA2 -0.226 3.736 3.960 0.004 0.000 0.264 222 G HA3 -0.226 3.736 3.960 0.004 0.000 0.264 222 G C 0.191 175.122 174.900 0.051 0.000 0.975 222 G CA 0.055 45.206 45.100 0.084 0.000 0.642 222 G HN 0.488 nan 8.290 nan 0.000 0.536 223 K N 0.098 120.525 120.400 0.045 0.000 2.095 223 K HA 0.604 4.926 4.320 0.004 0.000 0.252 223 K C 0.501 177.052 176.600 -0.081 0.000 0.977 223 K CA -0.748 55.485 56.287 -0.090 0.000 0.900 223 K CB 0.990 33.320 32.500 -0.283 0.000 1.060 223 K HN 0.335 nan 8.250 nan 0.000 0.449 224 R N 1.408 121.833 120.500 -0.125 0.000 2.265 224 R HA 0.312 4.654 4.340 0.004 0.000 0.319 224 R C -0.660 175.580 176.300 -0.101 0.000 1.006 224 R CA -0.532 55.570 56.100 0.003 0.000 0.880 224 R CB 0.503 30.846 30.300 0.073 0.000 1.077 224 R HN 0.482 nan 8.270 nan 0.000 0.454 225 H N 0.795 119.874 119.070 0.017 0.000 2.547 225 H HA 0.284 4.843 4.556 0.004 0.000 0.342 225 H C -0.516 174.732 175.328 -0.133 0.000 1.048 225 H CA -0.897 55.132 56.048 -0.032 0.000 1.204 225 H CB 1.355 31.079 29.762 -0.062 0.000 1.493 225 H HN 0.301 nan 8.280 nan 0.000 0.511 226 R N 2.767 123.153 120.500 -0.190 0.000 2.340 226 R HA 0.370 4.713 4.340 0.004 0.000 0.300 226 R C -1.208 174.988 176.300 -0.172 0.000 1.069 226 R CA -0.726 55.158 56.100 -0.359 0.000 0.984 226 R CB 0.360 30.158 30.300 -0.838 0.000 1.003 226 R HN 0.496 nan 8.270 nan 0.000 0.459 227 L N 4.692 125.835 121.223 -0.134 0.000 2.376 227 L HA 0.431 4.773 4.340 0.004 0.000 0.275 227 L C -0.903 175.930 176.870 -0.061 0.000 0.987 227 L CA -0.357 54.414 54.840 -0.115 0.000 0.828 227 L CB 1.641 43.629 42.059 -0.118 0.000 1.249 227 L HN 0.631 nan 8.230 nan 0.000 0.409 228 R N 6.484 126.962 120.500 -0.038 0.000 2.369 228 R HA 0.492 4.835 4.340 0.004 0.000 0.310 228 R C -0.830 175.496 176.300 0.043 0.000 1.141 228 R CA -0.359 55.738 56.100 -0.006 0.000 1.116 228 R CB 0.248 30.538 30.300 -0.016 0.000 1.135 228 R HN 0.575 nan 8.270 nan 0.000 0.529 229 I N 4.226 124.838 120.570 0.069 0.000 2.428 229 I HA 0.209 4.381 4.170 0.004 0.000 0.289 229 I C -0.319 175.776 176.117 -0.037 0.000 1.019 229 I CA -0.542 60.817 61.300 0.099 0.000 1.351 229 I CB 0.719 38.832 38.000 0.189 0.000 1.412 229 I HN 0.226 nan 8.210 nan 0.000 0.513 230 L N 5.688 126.830 121.223 -0.134 0.000 2.371 230 L HA 0.471 4.813 4.340 0.004 0.000 0.262 230 L C -0.280 176.381 176.870 -0.348 0.000 1.006 230 L CA -0.572 54.079 54.840 -0.315 0.000 0.818 230 L CB 1.368 43.159 42.059 -0.447 0.000 1.354 230 L HN 0.427 nan 8.230 nan 0.000 0.415 231 N N 0.184 118.595 118.700 -0.481 0.000 2.558 231 N HA 0.249 4.992 4.740 0.004 0.000 0.242 231 N C 0.085 175.102 175.510 -0.820 0.000 0.979 231 N CA -0.239 52.552 53.050 -0.431 0.000 0.931 231 N CB 1.099 39.355 38.487 -0.386 0.000 1.122 231 N HN 0.743 nan 8.380 nan 0.000 0.508 232 T N -0.780 113.326 114.554 -0.747 0.000 3.223 232 T HA 0.252 4.604 4.350 0.004 0.000 0.259 232 T C 0.521 174.988 174.700 -0.389 0.000 1.015 232 T CA -0.446 61.008 62.100 -1.077 0.000 0.908 232 T CB -0.312 68.080 68.868 -0.793 0.000 1.054 232 T HN 0.158 nan 8.240 nan 0.000 0.567 233 S N 2.242 117.787 115.700 -0.259 0.000 2.587 233 S HA 0.211 4.683 4.470 0.004 0.000 0.260 233 S C 1.793 176.410 174.600 0.029 0.000 1.353 233 S CA 0.131 58.295 58.200 -0.060 0.000 0.995 233 S CB 0.868 63.950 63.200 -0.197 0.000 0.912 233 S HN 0.732 nan 8.310 nan 0.000 0.568 234 T N -1.540 112.978 114.554 -0.060 0.000 3.035 234 T HA 0.164 4.516 4.350 0.004 0.000 0.259 234 T C 1.083 175.513 174.700 -0.450 0.000 1.078 234 T CA 0.470 62.348 62.100 -0.371 0.000 1.132 234 T CB 0.083 68.519 68.868 -0.720 0.000 0.900 234 T HN 0.619 nan 8.240 nan 0.000 0.480 235 E N 0.871 120.941 120.200 -0.217 0.000 2.701 235 E HA 0.119 4.472 4.350 0.004 0.000 0.201 235 E C -0.296 176.276 176.600 -0.045 0.000 0.961 235 E CA -0.141 56.166 56.400 -0.156 0.000 1.659 235 E CB 0.108 29.803 29.700 -0.008 0.000 1.970 235 E HN 0.464 nan 8.360 nan 0.000 1.021 236 N N 0.981 119.627 118.700 -0.091 0.000 2.492 236 N HA 0.044 4.787 4.740 0.004 0.000 0.262 236 N C -0.866 174.263 175.510 -0.635 0.000 1.202 236 N CA 0.237 53.167 53.050 -0.200 0.000 0.926 236 N CB 0.315 38.680 38.487 -0.204 0.000 1.078 236 N HN 0.122 nan 8.380 nan 0.000 0.454 237 H N 1.585 120.342 119.070 -0.522 0.000 2.459 237 H HA 0.391 4.949 4.556 0.004 0.000 0.332 237 H C -0.848 174.084 175.328 -0.660 0.000 1.094 237 H CA -0.250 55.417 56.048 -0.635 0.000 1.224 237 H CB 0.504 30.140 29.762 -0.209 0.000 1.449 237 H HN 0.329 nan 8.280 nan 0.000 0.484 238 F N 0.822 120.508 119.950 -0.441 0.000 2.492 238 F HA 0.415 4.944 4.527 0.004 0.000 0.327 238 F C 0.259 175.785 175.800 -0.456 0.000 1.079 238 F CA -0.941 56.751 58.000 -0.513 0.000 0.967 238 F CB 1.504 40.235 39.000 -0.447 0.000 1.169 238 F HN 0.398 nan 8.300 nan 0.000 0.472 239 Q N 1.760 121.462 119.800 -0.164 0.000 2.282 239 Q HA 0.690 5.032 4.340 0.004 0.000 0.260 239 Q C -0.993 174.864 176.000 -0.239 0.000 0.964 239 Q CA -1.029 54.669 55.803 -0.176 0.000 0.880 239 Q CB 2.642 31.340 28.738 -0.067 0.000 1.286 239 Q HN 0.557 nan 8.270 nan 0.000 0.445 240 V N -1.061 118.690 119.914 -0.273 0.000 2.823 240 V HA 0.965 5.087 4.120 0.004 0.000 0.312 240 V C -0.643 175.189 176.094 -0.437 0.000 1.072 240 V CA -0.650 61.388 62.300 -0.436 0.000 0.937 240 V CB 1.912 33.504 31.823 -0.385 0.000 1.013 240 V HN 0.867 nan 8.190 nan 0.000 0.430 241 S N 3.475 118.796 115.700 -0.632 0.000 2.543 241 S HA 0.727 5.200 4.470 0.004 0.000 0.274 241 S C -1.511 172.783 174.600 -0.510 0.000 1.149 241 S CA -0.708 57.239 58.200 -0.421 0.000 0.866 241 S CB 1.622 64.694 63.200 -0.213 0.000 1.111 241 S HN 1.660 nan 8.310 nan 0.000 0.457 242 L N 2.722 123.757 121.223 -0.313 0.000 2.305 242 L HA 0.664 5.006 4.340 0.004 0.000 0.284 242 L C -0.600 176.241 176.870 -0.049 0.000 1.013 242 L CA -0.646 54.055 54.840 -0.231 0.000 0.819 242 L CB 1.506 43.352 42.059 -0.355 0.000 1.227 242 L HN 0.736 nan 8.230 nan 0.000 0.417 243 V N 6.425 126.384 119.914 0.075 0.000 2.694 243 V HA 0.055 4.177 4.120 0.004 0.000 0.306 243 V C 1.263 177.471 176.094 0.190 0.000 1.054 243 V CA 0.866 63.264 62.300 0.163 0.000 1.161 243 V CB 0.320 32.310 31.823 0.278 0.000 0.916 243 V HN 1.078 nan 8.190 nan 0.000 0.490 244 N N 1.555 120.307 118.700 0.086 0.000 2.936 244 N HA -0.184 4.559 4.740 0.004 0.000 0.236 244 N C -0.285 175.087 175.510 -0.229 0.000 0.930 244 N CA 1.706 54.725 53.050 -0.052 0.000 0.966 244 N CB -1.100 37.348 38.487 -0.065 0.000 1.090 244 N HN 0.944 nan 8.380 nan 0.000 0.592 245 H N -1.406 117.563 119.070 -0.170 0.000 2.679 245 H HA 0.602 5.160 4.556 0.004 0.000 0.367 245 H C 0.299 175.559 175.328 -0.114 0.000 1.162 245 H CA 0.055 56.008 56.048 -0.159 0.000 1.181 245 H CB 1.472 31.113 29.762 -0.202 0.000 1.693 245 H HN 0.158 nan 8.280 nan 0.000 0.538 246 T N -0.591 113.975 114.554 0.020 0.000 2.912 246 T HA 0.639 4.991 4.350 0.004 0.000 0.280 246 T C 0.085 174.784 174.700 -0.000 0.000 0.989 246 T CA -0.984 61.113 62.100 -0.005 0.000 0.995 246 T CB 0.912 69.770 68.868 -0.016 0.000 1.077 246 T HN 0.386 nan 8.240 nan 0.000 0.531 247 M N 1.142 120.726 119.600 -0.027 0.000 2.395 247 M HA 0.381 4.864 4.480 0.004 0.000 0.307 247 M C -0.893 175.389 176.300 -0.030 0.000 1.091 247 M CA -0.642 54.639 55.300 -0.031 0.000 0.919 247 M CB 2.721 35.288 32.600 -0.055 0.000 1.662 247 M HN 0.642 nan 8.290 nan 0.000 0.440 248 T N 2.426 116.971 114.554 -0.014 0.000 2.788 248 T HA 0.384 4.737 4.350 0.004 0.000 0.296 248 T C -0.112 174.583 174.700 -0.008 0.000 1.009 248 T CA -0.525 61.570 62.100 -0.008 0.000 0.949 248 T CB 0.805 69.681 68.868 0.013 0.000 0.946 248 T HN 0.375 nan 8.240 nan 0.000 0.453 249 V N 5.770 125.671 119.914 -0.020 0.000 2.529 249 V HA 0.129 4.251 4.120 0.004 0.000 0.292 249 V C 1.389 177.507 176.094 0.041 0.000 1.028 249 V CA 0.348 62.652 62.300 0.006 0.000 1.074 249 V CB 0.058 31.868 31.823 -0.023 0.000 0.958 249 V HN 0.911 nan 8.190 nan 0.000 0.481 250 I N 1.851 122.451 120.570 0.051 0.000 4.154 250 I HA 0.764 4.937 4.170 0.004 0.000 0.334 250 I C 0.508 176.656 176.117 0.051 0.000 1.371 250 I CA 0.009 61.341 61.300 0.053 0.000 1.110 250 I CB 0.534 38.562 38.000 0.048 0.000 1.085 250 I HN 0.528 nan 8.210 nan 0.000 0.398 251 A N 1.363 124.223 122.820 0.066 0.000 2.589 251 A HA 0.871 5.193 4.320 0.004 0.000 0.296 251 A C -1.312 176.315 177.584 0.072 0.000 1.062 251 A CA -0.170 51.882 52.037 0.025 0.000 0.686 251 A CB 1.375 20.344 19.000 -0.051 0.000 1.282 251 A HN 0.364 nan 8.150 nan 0.000 0.404 252 A N 2.064 124.876 122.820 -0.013 0.000 2.319 252 A HA 0.733 5.055 4.320 0.004 0.000 0.310 252 A C 0.145 177.594 177.584 -0.226 0.000 1.152 252 A CA 0.148 52.088 52.037 -0.162 0.000 0.783 252 A CB 0.139 19.115 19.000 -0.041 0.000 1.184 252 A HN 1.166 nan 8.150 nan 0.000 0.474 253 D N 0.366 120.572 120.400 -0.323 0.000 3.608 253 D HA -0.265 4.377 4.640 0.004 0.000 0.152 253 D C 0.557 176.745 176.300 -0.186 0.000 0.971 253 D CA 2.127 55.995 54.000 -0.221 0.000 1.072 253 D CB -0.556 40.143 40.800 -0.168 0.000 0.507 253 D HN 0.669 nan 8.370 nan 0.000 0.520 254 M N 0.921 120.410 119.600 -0.185 0.000 2.637 254 M HA 0.312 4.794 4.480 0.004 0.000 0.286 254 M C -0.883 175.201 176.300 -0.360 0.000 1.246 254 M CA 0.239 55.384 55.300 -0.258 0.000 0.978 254 M CB 0.536 32.991 32.600 -0.242 0.000 1.417 254 M HN 0.128 nan 8.290 nan 0.000 0.487 255 V N 1.754 121.514 119.914 -0.257 0.000 2.350 255 V HA 0.467 4.589 4.120 0.004 0.000 0.285 255 V C -2.291 173.700 176.094 -0.170 0.000 1.014 255 V CA -1.809 60.356 62.300 -0.224 0.000 0.831 255 V CB 1.232 33.013 31.823 -0.070 0.000 1.000 255 V HN 0.203 nan 8.190 nan 0.000 0.433 256 P HA 0.189 nan 4.420 nan 0.000 0.268 256 P C -0.574 176.734 177.300 0.014 0.000 1.204 256 P CA 0.250 63.305 63.100 -0.075 0.000 0.768 256 P CB 0.774 32.449 31.700 -0.042 0.000 0.842 257 V N 0.426 120.364 119.914 0.040 0.000 3.001 257 V HA 0.562 4.685 4.120 0.004 0.000 0.314 257 V C -0.172 175.962 176.094 0.066 0.000 1.099 257 V CA -1.204 61.134 62.300 0.062 0.000 0.989 257 V CB 1.963 33.831 31.823 0.076 0.000 1.040 257 V HN 0.258 nan 8.190 nan 0.000 0.434 258 N N 1.798 120.537 118.700 0.065 0.000 2.454 258 N HA 0.307 5.049 4.740 0.004 0.000 0.254 258 N C 0.421 175.964 175.510 0.055 0.000 1.228 258 N CA 0.659 53.745 53.050 0.060 0.000 0.900 258 N CB 1.172 39.691 38.487 0.054 0.000 1.089 258 N HN 1.238 nan 8.380 nan 0.000 0.449 259 A N 2.339 125.191 122.820 0.052 0.000 2.567 259 A HA 0.102 4.425 4.320 0.004 0.000 0.240 259 A C 0.409 178.013 177.584 0.033 0.000 1.053 259 A CA 0.406 52.470 52.037 0.045 0.000 0.755 259 A CB -0.144 18.884 19.000 0.046 0.000 0.978 259 A HN 0.755 nan 8.150 nan 0.000 0.507 260 M N 3.495 123.109 119.600 0.023 0.000 2.149 260 M HA 0.262 4.744 4.480 0.004 0.000 0.273 260 M C -0.915 175.380 176.300 -0.008 0.000 0.972 260 M CA -0.109 55.197 55.300 0.010 0.000 0.984 260 M CB 1.504 34.112 32.600 0.013 0.000 1.699 260 M HN 0.651 nan 8.290 nan 0.000 0.462 261 T N 4.519 119.069 114.554 -0.006 0.000 2.817 261 T HA 0.584 4.936 4.350 0.004 0.000 0.293 261 T C -0.281 174.405 174.700 -0.024 0.000 0.964 261 T CA -0.469 61.622 62.100 -0.014 0.000 1.085 261 T CB 0.839 69.704 68.868 -0.006 0.000 0.921 261 T HN 0.591 nan 8.240 nan 0.000 0.502 262 V N 0.439 120.331 119.914 -0.036 0.000 3.160 262 V HA 0.597 4.720 4.120 0.004 0.000 0.310 262 V C -0.270 175.803 176.094 -0.035 0.000 1.181 262 V CA -0.877 61.401 62.300 -0.036 0.000 1.047 262 V CB 2.321 34.113 31.823 -0.052 0.000 1.068 262 V HN 0.577 nan 8.190 nan 0.000 0.441 263 D N 1.030 121.416 120.400 -0.024 0.000 2.301 263 D HA 0.196 4.839 4.640 0.004 0.000 0.206 263 D C 0.854 177.135 176.300 -0.033 0.000 0.979 263 D CA 1.579 55.564 54.000 -0.026 0.000 0.874 263 D CB 0.773 41.562 40.800 -0.018 0.000 0.968 263 D HN 0.932 nan 8.370 nan 0.000 0.510 264 S N -0.737 114.962 115.700 -0.002 0.000 2.565 264 S HA 0.663 5.135 4.470 0.004 0.000 0.269 264 S C -1.214 173.370 174.600 -0.027 0.000 1.153 264 S CA -0.966 57.230 58.200 -0.007 0.000 0.835 264 S CB 1.880 65.143 63.200 0.105 0.000 1.122 264 S HN -0.005 nan 8.310 nan 0.000 0.462 265 L N 1.578 122.686 121.223 -0.190 0.000 2.422 265 L HA 0.628 4.971 4.340 0.004 0.000 0.264 265 L C -1.420 175.224 176.870 -0.377 0.000 0.984 265 L CA -0.731 53.939 54.840 -0.284 0.000 0.819 265 L CB 2.117 43.981 42.059 -0.326 0.000 1.330 265 L HN 0.828 nan 8.230 nan 0.000 0.410 266 F N 3.608 123.248 119.950 -0.516 0.000 2.410 266 F HA 0.578 5.107 4.527 0.004 0.000 0.349 266 F C -0.991 174.820 175.800 0.018 0.000 1.117 266 F CA -0.424 57.391 58.000 -0.308 0.000 1.104 266 F CB 0.832 39.690 39.000 -0.237 0.000 1.122 266 F HN 0.171 nan 8.300 nan 0.000 0.483 267 L N 6.925 127.768 121.223 -0.633 0.000 2.316 267 L HA 0.580 4.922 4.340 0.004 0.000 0.280 267 L C 0.243 176.569 176.870 -0.906 0.000 1.006 267 L CA -0.390 54.156 54.840 -0.490 0.000 0.836 267 L CB 1.097 43.017 42.059 -0.231 0.000 1.221 267 L HN 0.787 nan 8.230 nan 0.000 0.418 268 A N 2.983 125.423 122.820 -0.634 0.000 2.429 268 A HA 0.414 4.736 4.320 0.004 0.000 0.242 268 A C 0.294 177.479 177.584 -0.666 0.000 1.088 268 A CA -0.435 51.312 52.037 -0.484 0.000 0.784 268 A CB 0.222 19.250 19.000 0.046 0.000 1.038 268 A HN 0.418 nan 8.150 nan 0.000 0.501 269 V N 1.354 120.711 119.914 -0.930 0.000 2.584 269 V HA 0.334 4.456 4.120 0.004 0.000 0.303 269 V C 1.671 177.433 176.094 -0.552 0.000 1.035 269 V CA 1.926 63.814 62.300 -0.687 0.000 1.172 269 V CB -0.379 31.126 31.823 -0.530 0.000 0.896 269 V HN 1.991 nan 8.190 nan 0.000 0.486 270 G N 3.344 111.721 108.800 -0.705 0.000 2.217 270 G HA2 -0.219 3.743 3.960 0.004 0.000 0.246 270 G HA3 -0.219 3.743 3.960 0.004 0.000 0.246 270 G C 0.206 174.781 174.900 -0.541 0.000 0.990 270 G CA 0.195 44.875 45.100 -0.700 0.000 0.627 270 G HN 0.645 nan 8.290 nan 0.000 0.522 271 Q N -0.045 119.485 119.800 -0.449 0.000 2.368 271 Q HA 0.680 5.022 4.340 0.004 0.000 0.237 271 Q C 0.217 175.953 176.000 -0.440 0.000 0.987 271 Q CA -0.029 55.551 55.803 -0.371 0.000 0.896 271 Q CB 0.626 29.174 28.738 -0.318 0.000 1.241 271 Q HN 0.369 nan 8.270 nan 0.000 0.485 272 R N 0.514 120.759 120.500 -0.425 0.000 2.795 272 R HA 0.527 4.869 4.340 0.004 0.000 0.275 272 R C -1.621 174.386 176.300 -0.489 0.000 0.981 272 R CA -0.550 55.337 56.100 -0.354 0.000 0.917 272 R CB 1.224 31.372 30.300 -0.253 0.000 1.202 272 R HN 0.471 nan 8.270 nan 0.000 0.469 273 Y N -0.054 120.194 120.300 -0.085 0.000 2.406 273 Y HA 0.348 4.900 4.550 0.004 0.000 0.340 273 Y C -0.701 175.169 175.900 -0.050 0.000 0.975 273 Y CA -0.956 57.111 58.100 -0.055 0.000 1.056 273 Y CB 2.111 40.550 38.460 -0.035 0.000 1.210 273 Y HN 0.446 nan 8.280 nan 0.000 0.448 274 D N 2.987 123.454 120.400 0.111 0.000 2.232 274 D HA 0.498 5.140 4.640 0.004 0.000 0.242 274 D C -0.569 175.753 176.300 0.037 0.000 1.093 274 D CA -0.069 53.949 54.000 0.030 0.000 0.845 274 D CB 1.694 42.480 40.800 -0.024 0.000 1.124 274 D HN 0.341 nan 8.370 nan 0.000 0.467 275 V N -0.519 119.393 119.914 -0.002 0.000 3.001 275 V HA 0.725 4.847 4.120 0.004 0.000 0.314 275 V C -0.427 175.633 176.094 -0.057 0.000 1.099 275 V CA -0.868 61.422 62.300 -0.015 0.000 0.989 275 V CB 2.014 33.834 31.823 -0.005 0.000 1.040 275 V HN 0.177 nan 8.190 nan 0.000 0.434 276 V N 3.417 123.311 119.914 -0.035 0.000 2.435 276 V HA 0.559 4.682 4.120 0.004 0.000 0.290 276 V C -0.219 175.886 176.094 0.018 0.000 1.030 276 V CA -0.286 62.001 62.300 -0.022 0.000 0.881 276 V CB 1.371 33.202 31.823 0.012 0.000 0.983 276 V HN 0.775 nan 8.190 nan 0.000 0.445 277 I N 3.816 124.413 120.570 0.046 0.000 2.406 277 I HA 0.422 4.595 4.170 0.004 0.000 0.290 277 I C -0.795 175.410 176.117 0.148 0.000 0.999 277 I CA -0.510 60.825 61.300 0.058 0.000 1.124 277 I CB 1.872 39.860 38.000 -0.019 0.000 1.289 277 I HN 0.483 nan 8.210 nan 0.000 0.441 278 D N 5.784 126.267 120.400 0.140 0.000 2.274 278 D HA 0.316 4.958 4.640 0.004 0.000 0.239 278 D C 0.128 176.542 176.300 0.191 0.000 1.104 278 D CA -0.200 53.895 54.000 0.159 0.000 0.840 278 D CB 2.120 42.981 40.800 0.102 0.000 1.100 278 D HN 0.558 nan 8.370 nan 0.000 0.477 279 A N 1.816 124.746 122.820 0.184 0.000 3.063 279 A HA 0.202 4.525 4.320 0.004 0.000 0.263 279 A C 1.084 178.839 177.584 0.285 0.000 1.736 279 A CA -0.342 51.773 52.037 0.131 0.000 1.408 279 A CB -0.499 18.387 19.000 -0.190 0.000 1.108 279 A HN 0.385 nan 8.150 nan 0.000 0.621 280 S N -0.199 115.637 115.700 0.226 0.000 2.557 280 S HA 0.205 4.677 4.470 0.004 0.000 0.223 280 S C 0.751 175.380 174.600 0.049 0.000 0.969 280 S CA -0.551 57.721 58.200 0.121 0.000 0.927 280 S CB 0.316 63.545 63.200 0.048 0.000 0.806 280 S HN 0.551 nan 8.310 nan 0.000 0.489 281 R N 1.661 122.183 120.500 0.036 0.000 2.606 281 R HA 0.743 5.086 4.340 0.004 0.000 0.249 281 R C 0.299 176.505 176.300 -0.158 0.000 1.127 281 R CA -0.436 55.559 56.100 -0.175 0.000 1.133 281 R CB -0.441 29.547 30.300 -0.520 0.000 1.243 281 R HN 0.237 nan 8.270 nan 0.000 0.558 282 A N 2.034 124.768 122.820 -0.142 0.000 2.498 282 A HA 0.316 4.638 4.320 0.004 0.000 0.239 282 A C -1.972 175.412 177.584 -0.332 0.000 1.068 282 A CA -0.964 50.986 52.037 -0.145 0.000 0.766 282 A CB -0.641 18.313 19.000 -0.077 0.000 1.003 282 A HN 0.310 nan 8.150 nan 0.000 0.497 283 P HA 0.291 nan 4.420 nan 0.000 0.267 283 P C -0.569 176.553 177.300 -0.296 0.000 1.209 283 P CA 0.468 63.360 63.100 -0.347 0.000 0.763 283 P CB 0.642 32.314 31.700 -0.046 0.000 0.816 284 D N 1.760 121.954 120.400 -0.344 0.000 2.809 284 D HA 0.168 4.811 4.640 0.004 0.000 0.336 284 D C -1.305 174.815 176.300 -0.301 0.000 1.367 284 D CA -0.448 53.323 54.000 -0.382 0.000 0.815 284 D CB 1.019 41.404 40.800 -0.691 0.000 1.381 284 D HN 0.121 nan 8.370 nan 0.000 0.471 285 N N 0.772 119.222 118.700 -0.416 0.000 2.419 285 N HA 0.372 5.114 4.740 0.004 0.000 0.277 285 N C -1.072 174.103 175.510 -0.559 0.000 1.006 285 N CA -0.090 52.801 53.050 -0.264 0.000 0.923 285 N CB 1.115 39.473 38.487 -0.216 0.000 1.140 285 N HN 0.252 nan 8.380 nan 0.000 0.488 286 Y N -0.085 120.184 120.300 -0.052 0.000 2.446 286 Y HA 0.331 4.883 4.550 0.004 0.000 0.345 286 Y C -0.152 175.737 175.900 -0.018 0.000 0.984 286 Y CA -0.942 57.123 58.100 -0.058 0.000 1.058 286 Y CB 1.306 39.814 38.460 0.079 0.000 1.220 286 Y HN 0.418 nan 8.280 nan 0.000 0.455 287 W N 3.350 124.758 121.300 0.181 0.000 2.216 287 W HA 0.240 4.903 4.660 0.004 0.000 0.326 287 W C -0.456 176.145 176.519 0.137 0.000 1.319 287 W CA -0.428 56.993 57.345 0.125 0.000 1.213 287 W CB 0.416 29.894 29.460 0.031 0.000 1.171 287 W HN 0.394 nan 8.180 nan 0.000 0.557 288 F N 4.821 124.965 119.950 0.324 0.000 2.334 288 F HA 0.345 4.874 4.527 0.004 0.000 0.367 288 F C -0.356 175.516 175.800 0.120 0.000 1.115 288 F CA -0.775 57.290 58.000 0.108 0.000 1.116 288 F CB -0.013 39.088 39.000 0.168 0.000 1.230 288 F HN 0.252 nan 8.300 nan 0.000 0.484 289 N N 3.819 122.386 118.700 -0.222 0.000 2.443 289 N HA 0.505 5.247 4.740 0.004 0.000 0.295 289 N C -1.355 173.969 175.510 -0.309 0.000 1.076 289 N CA -0.633 52.314 53.050 -0.172 0.000 0.919 289 N CB 2.080 40.485 38.487 -0.137 0.000 1.176 289 N HN 0.278 nan 8.380 nan 0.000 0.487 290 V N 1.559 121.345 119.914 -0.212 0.000 2.407 290 V HA 0.514 4.637 4.120 0.004 0.000 0.278 290 V C 0.254 176.174 176.094 -0.289 0.000 1.037 290 V CA -0.363 61.744 62.300 -0.321 0.000 0.900 290 V CB 0.779 32.339 31.823 -0.438 0.000 0.983 290 V HN 0.894 nan 8.190 nan 0.000 0.459 291 T N 1.743 116.095 114.554 -0.337 0.000 2.901 291 T HA 0.791 5.143 4.350 0.004 0.000 0.293 291 T C -0.981 173.459 174.700 -0.435 0.000 1.084 291 T CA -0.640 61.318 62.100 -0.237 0.000 1.008 291 T CB 1.818 70.650 68.868 -0.060 0.000 1.170 291 T HN 0.126 nan 8.240 nan 0.000 0.509 292 F N -0.266 119.715 119.950 0.053 0.000 2.508 292 F HA 0.780 5.309 4.527 0.004 0.000 0.325 292 F C 0.920 176.767 175.800 0.078 0.000 1.090 292 F CA -0.327 57.710 58.000 0.063 0.000 0.945 292 F CB 2.421 41.408 39.000 -0.022 0.000 1.156 292 F HN 1.090 nan 8.300 nan 0.000 0.463 293 G N -0.413 108.560 108.800 0.287 0.000 3.222 293 G HA2 0.476 4.439 3.960 0.004 0.000 0.263 293 G HA3 0.476 4.439 3.960 0.004 0.000 0.263 293 G C 0.426 175.416 174.900 0.149 0.000 1.312 293 G CA -0.583 44.631 45.100 0.190 0.000 0.934 293 G HN 1.237 nan 8.290 nan 0.000 0.577 294 G N -0.687 108.161 108.800 0.080 0.000 2.225 294 G HA2 -0.129 3.833 3.960 0.004 0.000 0.267 294 G HA3 -0.129 3.833 3.960 0.004 0.000 0.267 294 G C 0.617 175.546 174.900 0.049 0.000 1.024 294 G CA 0.869 45.994 45.100 0.041 0.000 0.784 294 G HN 1.380 nan 8.290 nan 0.000 0.507 295 Q N -3.325 116.513 119.800 0.064 0.000 2.423 295 Q HA -0.218 4.125 4.340 0.004 0.000 0.332 295 Q C 1.506 177.549 176.000 0.072 0.000 1.355 295 Q CA 2.182 58.024 55.803 0.064 0.000 0.947 295 Q CB -2.494 26.271 28.738 0.045 0.000 1.189 295 Q HN 2.432 nan 8.270 nan 0.000 0.418 296 A N -2.099 120.768 122.820 0.079 0.000 3.153 296 A HA -0.266 4.056 4.320 0.004 0.000 0.265 296 A C 1.605 179.219 177.584 0.050 0.000 1.212 296 A CA 2.043 54.120 52.037 0.066 0.000 1.018 296 A CB -1.860 17.253 19.000 0.189 0.000 1.130 296 A HN 1.448 nan 8.150 nan 0.000 0.873 297 A N -1.026 121.813 122.820 0.031 0.000 2.119 297 A HA 0.200 4.522 4.320 0.004 0.000 0.217 297 A C 1.637 179.191 177.584 -0.050 0.000 1.153 297 A CA 1.878 53.918 52.037 0.004 0.000 0.692 297 A CB -1.006 17.990 19.000 -0.007 0.000 0.799 297 A HN 2.144 nan 8.150 nan 0.000 0.458 298 c N -3.365 115.197 118.600 -0.063 0.000 2.913 298 c HA 0.661 5.233 4.570 0.004 0.000 0.246 298 c C 0.720 174.795 174.090 -0.025 0.000 1.857 298 c CA -0.530 55.680 56.329 -0.199 0.000 1.690 298 c CB -0.929 41.267 42.510 -0.524 0.000 3.235 298 c HN 1.672 nan 8.230 nan 0.000 0.475 299 G N -0.468 108.306 108.800 -0.043 0.000 2.440 299 G HA2 0.506 4.469 3.960 0.004 0.000 0.684 299 G HA3 0.506 4.469 3.960 0.004 0.000 0.684 299 G C -0.502 173.926 174.900 -0.788 0.000 1.309 299 G CA 0.036 45.019 45.100 -0.195 0.000 0.931 299 G HN 1.938 nan 8.290 nan 0.000 0.612 300 G N -1.414 106.500 108.800 -1.477 0.000 2.649 300 G HA2 0.896 4.859 3.960 0.004 0.000 0.290 300 G HA3 0.896 4.859 3.960 0.004 0.000 0.290 300 G C -0.928 172.868 174.900 -1.842 0.000 1.426 300 G CA 0.829 44.311 45.100 -2.696 0.000 0.794 300 G HN 1.809 nan 8.290 nan 0.000 0.483 301 S N -1.219 113.710 115.700 -1.284 0.000 2.570 301 S HA 0.503 4.975 4.470 0.004 0.000 0.286 301 S C 0.932 175.540 174.600 0.013 0.000 1.099 301 S CA -0.762 57.235 58.200 -0.339 0.000 0.913 301 S CB 1.482 64.663 63.200 -0.032 0.000 1.085 301 S HN 0.484 nan 8.310 nan 0.000 0.480 302 L N 2.168 123.445 121.223 0.089 0.000 2.478 302 L HA 0.161 4.503 4.340 0.004 0.000 0.223 302 L C 0.911 177.806 176.870 0.042 0.000 1.140 302 L CA 0.234 55.133 54.840 0.099 0.000 0.842 302 L CB -0.341 41.749 42.059 0.052 0.000 0.953 302 L HN 0.531 nan 8.230 nan 0.000 0.452 303 N N 1.605 120.319 118.700 0.023 0.000 2.401 303 N HA 0.068 4.810 4.740 0.004 0.000 0.255 303 N C -1.587 173.913 175.510 -0.016 0.000 1.110 303 N CA -1.852 51.209 53.050 0.019 0.000 0.949 303 N CB 1.255 39.761 38.487 0.031 0.000 1.110 303 N HN -0.073 nan 8.380 nan 0.000 0.490 304 P HA -0.027 nan 4.420 nan 0.000 0.229 304 P C -0.548 176.407 177.300 -0.575 0.000 1.160 304 P CA 1.128 64.042 63.100 -0.310 0.000 0.777 304 P CB 0.297 31.761 31.700 -0.393 0.000 0.814 305 H N -0.905 118.171 119.070 0.011 0.000 2.597 305 H HA 0.331 4.889 4.556 0.004 0.000 0.225 305 H C -2.486 172.802 175.328 -0.067 0.000 1.422 305 H CA -2.009 54.005 56.048 -0.057 0.000 1.335 305 H CB 0.362 30.040 29.762 -0.141 0.000 1.783 305 H HN 0.175 nan 8.280 nan 0.000 0.513 306 P HA 0.366 nan 4.420 nan 0.000 0.271 306 P C -0.342 176.971 177.300 0.022 0.000 1.216 306 P CA -0.018 63.097 63.100 0.025 0.000 0.776 306 P CB 1.339 33.019 31.700 -0.033 0.000 0.881 307 A N 1.383 124.276 122.820 0.122 0.000 2.601 307 A HA 0.789 5.111 4.320 0.004 0.000 0.291 307 A C -1.586 176.239 177.584 0.402 0.000 1.075 307 A CA -0.328 51.827 52.037 0.196 0.000 0.671 307 A CB 1.255 20.212 19.000 -0.072 0.000 1.277 307 A HN 0.559 nan 8.150 nan 0.000 0.417 308 A N 0.110 123.237 122.820 0.512 0.000 2.435 308 A HA 0.883 5.206 4.320 0.004 0.000 0.296 308 A C -0.975 176.951 177.584 0.570 0.000 1.147 308 A CA -0.554 51.790 52.037 0.511 0.000 0.775 308 A CB 0.886 20.174 19.000 0.480 0.000 1.340 308 A HN 0.875 nan 8.150 nan 0.000 0.427 309 I N 0.536 121.332 120.570 0.377 0.000 2.378 309 I HA 0.359 4.531 4.170 0.004 0.000 0.291 309 I C -1.430 174.844 176.117 0.261 0.000 0.992 309 I CA -0.168 61.269 61.300 0.228 0.000 1.154 309 I CB 1.422 39.420 38.000 -0.003 0.000 1.315 309 I HN 0.458 nan 8.210 nan 0.000 0.448 310 F N 4.747 124.746 119.950 0.082 0.000 2.361 310 F HA 0.288 4.817 4.527 0.004 0.000 0.364 310 F C 0.242 176.135 175.800 0.154 0.000 1.117 310 F CA -0.618 57.413 58.000 0.050 0.000 1.071 310 F CB 0.492 39.482 39.000 -0.016 0.000 1.188 310 F HN 0.414 nan 8.300 nan 0.000 0.464 311 H N 3.295 122.401 119.070 0.060 0.000 2.488 311 H HA 0.365 4.923 4.556 0.004 0.000 0.322 311 H C -1.276 174.142 175.328 0.150 0.000 1.078 311 H CA -0.642 55.467 56.048 0.101 0.000 1.260 311 H CB 0.536 30.292 29.762 -0.009 0.000 1.425 311 H HN 0.403 nan 8.280 nan 0.000 0.471 312 Y N 3.535 123.593 120.300 -0.403 0.000 2.496 312 Y HA 0.255 4.807 4.550 0.004 0.000 0.334 312 Y C 0.831 176.365 175.900 -0.610 0.000 1.080 312 Y CA 0.107 58.007 58.100 -0.334 0.000 1.355 312 Y CB 0.198 38.585 38.460 -0.120 0.000 1.193 312 Y HN 0.833 nan 8.280 nan 0.000 0.523 313 A N 2.817 125.517 122.820 -0.199 0.000 2.540 313 A HA 0.403 4.725 4.320 0.004 0.000 0.239 313 A C 1.453 179.024 177.584 -0.021 0.000 1.061 313 A CA 0.805 52.806 52.037 -0.061 0.000 0.758 313 A CB -0.739 18.274 19.000 0.021 0.000 0.991 313 A HN 1.492 nan 8.150 nan 0.000 0.502 314 G N 0.543 109.371 108.800 0.047 0.000 2.234 314 G HA2 0.154 4.117 3.960 0.004 0.000 0.235 314 G HA3 0.154 4.117 3.960 0.004 0.000 0.235 314 G C 0.634 175.555 174.900 0.036 0.000 0.997 314 G CA 0.550 45.678 45.100 0.047 0.000 0.623 314 G HN 2.152 nan 8.290 nan 0.000 0.514 315 A N 0.738 123.544 122.820 -0.024 0.000 2.246 315 A HA 0.818 5.140 4.320 0.004 0.000 0.291 315 A C -1.578 176.096 177.584 0.150 0.000 1.103 315 A CA -0.724 51.315 52.037 0.003 0.000 0.844 315 A CB 0.121 19.058 19.000 -0.106 0.000 1.136 315 A HN 0.204 nan 8.150 nan 0.000 0.500 316 P HA 0.256 nan 4.420 nan 0.000 0.269 316 P C 0.578 177.953 177.300 0.126 0.000 1.217 316 P CA 0.368 63.514 63.100 0.078 0.000 0.783 316 P CB 0.344 32.049 31.700 0.008 0.000 0.898 317 G N -0.155 108.661 108.800 0.026 0.000 2.516 317 G HA2 0.516 4.479 3.960 0.004 0.000 0.276 317 G HA3 0.516 4.479 3.960 0.004 0.000 0.276 317 G C 0.191 175.056 174.900 -0.059 0.000 1.390 317 G CA -0.037 45.022 45.100 -0.069 0.000 1.050 317 G HN 0.853 nan 8.290 nan 0.000 0.519 318 G N -2.221 106.531 108.800 -0.080 0.000 2.660 318 G HA2 -0.039 3.923 3.960 0.004 0.000 0.247 318 G HA3 -0.039 3.923 3.960 0.004 0.000 0.247 318 G C -0.403 174.416 174.900 -0.135 0.000 1.328 318 G CA -0.318 44.737 45.100 -0.075 0.000 0.884 318 G HN 0.835 nan 8.290 nan 0.000 0.531 319 L N 1.118 122.249 121.223 -0.154 0.000 2.357 319 L HA 0.455 4.798 4.340 0.004 0.000 0.273 319 L C -1.708 174.879 176.870 -0.472 0.000 1.080 319 L CA -1.818 52.829 54.840 -0.323 0.000 0.803 319 L CB 1.341 43.314 42.059 -0.143 0.000 1.174 319 L HN 0.364 nan 8.230 nan 0.000 0.443 320 P HA -0.014 nan 4.420 nan 0.000 0.266 320 P C 0.332 177.324 177.300 -0.512 0.000 1.193 320 P CA 0.113 62.672 63.100 -0.903 0.000 0.770 320 P CB 0.554 31.236 31.700 -1.696 0.000 0.836 321 T N -3.337 111.038 114.554 -0.299 0.000 2.985 321 T HA 0.102 4.454 4.350 0.004 0.000 0.254 321 T C 0.288 174.982 174.700 -0.011 0.000 1.021 321 T CA -0.004 62.038 62.100 -0.097 0.000 0.957 321 T CB -0.122 68.688 68.868 -0.098 0.000 1.047 321 T HN 0.228 nan 8.240 nan 0.000 0.511 322 D N 1.816 122.199 120.400 -0.028 0.000 2.396 322 D HA 0.240 4.882 4.640 0.004 0.000 0.225 322 D C 0.709 177.142 176.300 0.222 0.000 1.121 322 D CA -0.334 53.706 54.000 0.066 0.000 0.853 322 D CB 1.370 42.196 40.800 0.043 0.000 1.043 322 D HN 0.286 nan 8.370 nan 0.000 0.500 323 E N 2.062 122.379 120.200 0.195 0.000 2.427 323 E HA 0.158 4.511 4.350 0.004 0.000 0.196 323 E C 1.243 177.920 176.600 0.128 0.000 1.028 323 E CA 0.294 56.805 56.400 0.185 0.000 0.864 323 E CB 0.074 29.795 29.700 0.036 0.000 0.813 323 E HN 0.751 nan 8.360 nan 0.000 0.514 324 G N 1.377 110.248 108.800 0.119 0.000 2.749 324 G HA2 -0.293 3.669 3.960 0.004 0.000 0.242 324 G HA3 -0.293 3.669 3.960 0.004 0.000 0.242 324 G C 0.124 175.052 174.900 0.046 0.000 1.364 324 G CA -0.072 45.080 45.100 0.087 0.000 0.888 324 G HN 0.264 nan 8.290 nan 0.000 0.566 325 T N -0.509 114.065 114.554 0.034 0.000 2.945 325 T HA 0.774 5.126 4.350 0.004 0.000 0.286 325 T C -1.995 172.715 174.700 0.017 0.000 1.025 325 T CA -0.687 61.427 62.100 0.022 0.000 1.039 325 T CB 2.101 70.979 68.868 0.017 0.000 1.068 325 T HN 0.829 nan 8.240 nan 0.000 0.497 326 P HA 0.357 nan 4.420 nan 0.000 0.275 326 P C -2.446 174.866 177.300 0.019 0.000 1.228 326 P CA -1.070 62.045 63.100 0.024 0.000 0.786 326 P CB -0.307 31.416 31.700 0.038 0.000 0.927 327 P HA 0.077 nan 4.420 nan 0.000 0.276 327 P C -0.057 177.259 177.300 0.027 0.000 1.261 327 P CA -0.461 62.658 63.100 0.031 0.000 0.800 327 P CB 0.559 32.297 31.700 0.065 0.000 1.066 328 V N 1.078 120.983 119.914 -0.015 0.000 2.814 328 V HA -0.062 4.060 4.120 0.004 0.000 0.307 328 V C 0.474 176.529 176.094 -0.065 0.000 1.089 328 V CA 0.322 62.571 62.300 -0.086 0.000 1.212 328 V CB -0.210 31.489 31.823 -0.207 0.000 0.912 328 V HN 0.580 nan 8.190 nan 0.000 0.497 329 D N 4.801 125.170 120.400 -0.052 0.000 2.346 329 D HA 0.062 4.704 4.640 0.004 0.000 0.260 329 D C 0.969 177.225 176.300 -0.074 0.000 1.252 329 D CA 0.223 54.226 54.000 0.005 0.000 0.895 329 D CB 0.339 41.144 40.800 0.007 0.000 1.097 329 D HN 0.735 nan 8.370 nan 0.000 0.489 330 H N 3.221 122.275 119.070 -0.026 0.000 2.547 330 H HA -0.002 4.557 4.556 0.004 0.000 0.266 330 H C 0.435 175.625 175.328 -0.229 0.000 0.988 330 H CA 0.205 56.186 56.048 -0.111 0.000 1.147 330 H CB 0.575 30.289 29.762 -0.079 0.000 1.365 330 H HN 0.511 nan 8.280 nan 0.000 0.589 331 Q N -1.001 118.765 119.800 -0.056 0.000 2.475 331 Q HA -0.183 4.159 4.340 0.004 0.000 0.280 331 Q C 0.581 176.453 176.000 -0.213 0.000 1.234 331 Q CA 0.806 56.550 55.803 -0.098 0.000 0.873 331 Q CB -2.635 26.051 28.738 -0.087 0.000 1.256 331 Q HN 0.720 nan 8.270 nan 0.000 0.475 332 c N -1.601 116.795 118.600 -0.340 0.000 4.356 332 c HA -0.229 4.343 4.570 0.004 0.000 0.296 332 c C 0.624 174.265 174.090 -0.749 0.000 1.424 332 c CA 0.942 56.975 56.329 -0.492 0.000 2.000 332 c CB -2.109 40.297 42.510 -0.172 0.000 1.262 332 c HN 0.491 nan 8.230 nan 0.000 0.789 333 L N 1.406 122.033 121.223 -0.994 0.000 2.385 333 L HA 0.503 4.845 4.340 0.004 0.000 0.273 333 L C 0.168 176.764 176.870 -0.457 0.000 0.990 333 L CA -0.467 54.056 54.840 -0.527 0.000 0.821 333 L CB 1.333 43.245 42.059 -0.246 0.000 1.279 333 L HN 0.228 nan 8.230 nan 0.000 0.412 334 D N 0.165 120.580 120.400 0.025 0.000 2.358 334 D HA 0.066 4.709 4.640 0.004 0.000 0.244 334 D C 0.124 176.534 176.300 0.184 0.000 1.163 334 D CA -0.384 53.800 54.000 0.307 0.000 0.945 334 D CB 1.245 42.292 40.800 0.412 0.000 1.152 334 D HN 0.313 nan 8.370 nan 0.000 0.451 335 T N 0.104 114.793 114.554 0.225 0.000 2.869 335 T HA 0.236 4.589 4.350 0.004 0.000 0.295 335 T C 0.887 175.669 174.700 0.138 0.000 0.987 335 T CA -0.620 61.569 62.100 0.147 0.000 1.109 335 T CB -0.012 68.931 68.868 0.124 0.000 0.932 335 T HN 0.345 nan 8.240 nan 0.000 0.518 336 L N 3.848 125.124 121.223 0.088 0.000 2.791 336 L HA 0.284 4.627 4.340 0.004 0.000 0.239 336 L C 0.951 177.863 176.870 0.071 0.000 1.203 336 L CA -0.089 54.802 54.840 0.084 0.000 1.002 336 L CB 0.051 42.145 42.059 0.057 0.000 1.295 336 L HN 0.587 nan 8.230 nan 0.000 0.504 337 D N 0.031 120.472 120.400 0.069 0.000 2.350 337 D HA 0.015 4.657 4.640 0.004 0.000 0.213 337 D C 0.932 177.270 176.300 0.063 0.000 1.031 337 D CA 0.375 54.407 54.000 0.053 0.000 0.861 337 D CB 0.402 41.224 40.800 0.037 0.000 0.926 337 D HN 0.155 nan 8.370 nan 0.000 0.520 338 V N -0.496 119.471 119.914 0.090 0.000 2.811 338 V HA 0.416 4.538 4.120 0.004 0.000 0.302 338 V C 0.229 176.372 176.094 0.081 0.000 1.063 338 V CA -0.497 61.861 62.300 0.096 0.000 1.088 338 V CB 1.250 33.159 31.823 0.144 0.000 0.982 338 V HN -0.123 nan 8.190 nan 0.000 0.485 339 R N 3.425 123.968 120.500 0.071 0.000 2.473 339 R HA 0.473 4.815 4.340 0.004 0.000 0.303 339 R C -2.956 173.384 176.300 0.066 0.000 1.002 339 R CA -2.096 54.042 56.100 0.063 0.000 0.884 339 R CB 1.721 32.052 30.300 0.052 0.000 1.173 339 R HN 0.546 nan 8.270 nan 0.000 0.464 340 P HA -0.031 nan 4.420 nan 0.000 0.266 340 P C 1.104 178.453 177.300 0.082 0.000 1.195 340 P CA -0.074 63.072 63.100 0.078 0.000 0.768 340 P CB 0.869 32.620 31.700 0.086 0.000 0.838 341 V N 2.945 122.916 119.914 0.094 0.000 2.307 341 V HA -0.128 3.995 4.120 0.004 0.000 0.245 341 V C 1.112 177.269 176.094 0.106 0.000 1.045 341 V CA 1.546 63.906 62.300 0.099 0.000 1.024 341 V CB -0.299 31.594 31.823 0.116 0.000 0.651 341 V HN 0.313 nan 8.190 nan 0.000 0.449 342 V N 3.908 123.900 119.914 0.131 0.000 2.372 342 V HA 0.226 4.348 4.120 0.004 0.000 0.261 342 V C -1.834 174.303 176.094 0.072 0.000 1.055 342 V CA -1.337 61.024 62.300 0.101 0.000 0.930 342 V CB 0.618 32.497 31.823 0.094 0.000 1.031 342 V HN 0.391 nan 8.190 nan 0.000 0.479 343 P HA 0.477 nan 4.420 nan 0.000 0.278 343 P C -0.823 176.511 177.300 0.055 0.000 1.258 343 P CA -0.716 62.416 63.100 0.053 0.000 0.811 343 P CB 1.401 33.128 31.700 0.044 0.000 1.063 344 R N 0.122 120.650 120.500 0.047 0.000 2.807 344 R HA 0.637 4.979 4.340 0.004 0.000 0.276 344 R C -0.468 175.806 176.300 -0.044 0.000 0.979 344 R CA -0.743 55.384 56.100 0.046 0.000 0.928 344 R CB 1.879 32.232 30.300 0.090 0.000 1.191 344 R HN 0.595 nan 8.270 nan 0.000 0.471 345 S N 0.744 116.394 115.700 -0.084 0.000 2.557 345 S HA 0.683 5.155 4.470 0.004 0.000 0.291 345 S C -0.687 173.750 174.600 -0.272 0.000 1.116 345 S CA -0.564 57.556 58.200 -0.134 0.000 0.992 345 S CB 1.150 64.318 63.200 -0.052 0.000 1.028 345 S HN 0.434 nan 8.310 nan 0.000 0.484 346 V N 1.256 120.979 119.914 -0.318 0.000 3.007 346 V HA 0.851 4.973 4.120 0.004 0.000 0.311 346 V C -2.887 173.129 176.094 -0.130 0.000 1.120 346 V CA -2.392 59.688 62.300 -0.368 0.000 0.980 346 V CB 1.598 32.986 31.823 -0.724 0.000 1.033 346 V HN 0.780 nan 8.190 nan 0.000 0.429 347 P HA 0.315 nan 4.420 nan 0.000 0.275 347 P C 0.412 177.716 177.300 0.006 0.000 1.227 347 P CA 0.132 63.223 63.100 -0.014 0.000 0.781 347 P CB 1.740 33.432 31.700 -0.014 0.000 0.906 348 V N -0.403 119.508 119.914 -0.004 0.000 3.612 348 V HA 0.048 4.170 4.120 0.004 0.000 0.268 348 V C 1.770 177.868 176.094 0.007 0.000 1.365 348 V CA 0.553 62.855 62.300 0.003 0.000 1.044 348 V CB -0.813 31.031 31.823 0.034 0.000 0.820 348 V HN 0.472 nan 8.190 nan 0.000 0.444 349 N N 3.164 121.862 118.700 -0.004 0.000 2.364 349 N HA -0.173 4.570 4.740 0.004 0.000 0.183 349 N C 1.542 177.043 175.510 -0.016 0.000 1.022 349 N CA 1.913 54.965 53.050 0.003 0.000 0.883 349 N CB -0.349 38.134 38.487 -0.007 0.000 0.965 349 N HN 0.714 nan 8.380 nan 0.000 0.438 350 S N -0.994 114.668 115.700 -0.062 0.000 2.575 350 S HA 0.123 4.595 4.470 0.004 0.000 0.215 350 S C 0.351 174.847 174.600 -0.173 0.000 0.966 350 S CA -0.891 57.242 58.200 -0.112 0.000 0.911 350 S CB -0.693 62.426 63.200 -0.135 0.000 0.780 350 S HN 0.288 nan 8.310 nan 0.000 0.514 351 F N 3.040 122.813 119.950 -0.295 0.000 2.572 351 F HA 0.428 4.957 4.527 0.004 0.000 0.370 351 F C -0.440 175.234 175.800 -0.211 0.000 1.103 351 F CA -0.259 57.526 58.000 -0.358 0.000 1.286 351 F CB 0.628 39.417 39.000 -0.351 0.000 1.105 351 F HN -0.067 nan 8.300 nan 0.000 0.583 352 V N 6.861 126.073 119.914 -1.170 0.000 2.577 352 V HA 0.214 4.337 4.120 0.004 0.000 0.303 352 V C -0.346 175.028 176.094 -1.201 0.000 1.042 352 V CA -1.377 60.397 62.300 -0.876 0.000 0.872 352 V CB 1.587 33.140 31.823 -0.449 0.000 0.998 352 V HN 0.727 nan 8.190 nan 0.000 0.423 353 K N 5.432 125.367 120.400 -0.776 0.000 2.416 353 K HA 0.442 4.765 4.320 0.004 0.000 0.283 353 K C -0.351 176.086 176.600 -0.272 0.000 1.037 353 K CA -0.009 56.019 56.287 -0.432 0.000 0.995 353 K CB 0.492 32.940 32.500 -0.088 0.000 0.938 353 K HN 0.718 nan 8.250 nan 0.000 0.475 354 R N 3.725 124.100 120.500 -0.209 0.000 2.774 354 R HA 0.227 4.570 4.340 0.004 0.000 0.272 354 R C -2.204 174.069 176.300 -0.045 0.000 1.000 354 R CA -2.052 53.971 56.100 -0.128 0.000 0.906 354 R CB 1.265 31.471 30.300 -0.156 0.000 1.227 354 R HN 0.356 nan 8.270 nan 0.000 0.468 355 P HA -0.213 nan 4.420 nan 0.000 0.216 355 P C 0.404 177.743 177.300 0.065 0.000 1.150 355 P CA 1.467 64.586 63.100 0.032 0.000 0.843 355 P CB 0.121 31.837 31.700 0.026 0.000 0.787 356 D N -1.322 119.100 120.400 0.038 0.000 2.349 356 D HA -0.080 4.563 4.640 0.004 0.000 0.224 356 D C 0.584 176.933 176.300 0.081 0.000 1.029 356 D CA 0.417 54.467 54.000 0.082 0.000 0.879 356 D CB -1.165 39.662 40.800 0.045 0.000 0.906 356 D HN 0.237 nan 8.370 nan 0.000 0.528 357 N N -1.116 117.595 118.700 0.017 0.000 2.241 357 N HA 0.075 4.817 4.740 0.004 0.000 0.238 357 N C -0.886 174.750 175.510 0.209 0.000 1.244 357 N CA -0.433 52.590 53.050 -0.045 0.000 0.880 357 N CB 0.329 38.663 38.487 -0.255 0.000 1.179 357 N HN -0.156 nan 8.380 nan 0.000 0.513 358 T N 1.039 115.731 114.554 0.230 0.000 2.824 358 T HA 0.478 4.830 4.350 0.004 0.000 0.282 358 T C -0.572 174.277 174.700 0.249 0.000 0.993 358 T CA -0.509 61.725 62.100 0.223 0.000 0.967 358 T CB 1.579 70.525 68.868 0.131 0.000 0.960 358 T HN 0.072 nan 8.240 nan 0.000 0.441 359 L N 5.292 126.673 121.223 0.262 0.000 2.387 359 L HA 0.354 4.696 4.340 0.004 0.000 0.259 359 L C -2.459 174.517 176.870 0.177 0.000 1.050 359 L CA -2.110 52.863 54.840 0.222 0.000 0.922 359 L CB 1.162 43.386 42.059 0.276 0.000 1.280 359 L HN 0.309 nan 8.230 nan 0.000 0.449 360 P HA 0.141 nan 4.420 nan 0.000 0.282 360 P C -0.309 177.053 177.300 0.104 0.000 1.274 360 P CA -0.146 63.029 63.100 0.124 0.000 0.770 360 P CB 1.290 33.051 31.700 0.101 0.000 0.867 361 V N 3.503 123.484 119.914 0.112 0.000 2.509 361 V HA 0.673 4.795 4.120 0.004 0.000 0.284 361 V C 0.480 176.655 176.094 0.135 0.000 1.047 361 V CA -0.194 62.166 62.300 0.101 0.000 0.952 361 V CB 0.917 32.766 31.823 0.042 0.000 0.988 361 V HN 0.714 nan 8.190 nan 0.000 0.469 362 A N 4.644 127.548 122.820 0.140 0.000 2.520 362 A HA 0.774 5.096 4.320 0.004 0.000 0.298 362 A C -1.328 176.229 177.584 -0.045 0.000 1.051 362 A CA -0.610 51.462 52.037 0.058 0.000 0.690 362 A CB 1.530 20.529 19.000 -0.001 0.000 1.281 362 A HN 0.789 nan 8.150 nan 0.000 0.402 363 L N 1.625 122.677 121.223 -0.286 0.000 2.265 363 L HA 0.574 4.916 4.340 0.004 0.000 0.288 363 L C -0.617 176.023 176.870 -0.384 0.000 1.058 363 L CA 0.086 54.522 54.840 -0.674 0.000 0.809 363 L CB 0.981 42.429 42.059 -1.018 0.000 1.179 363 L HN 0.647 nan 8.230 nan 0.000 0.429 364 D N 4.509 124.720 120.400 -0.315 0.000 2.373 364 D HA 0.238 4.880 4.640 0.004 0.000 0.227 364 D C 0.312 176.507 176.300 -0.176 0.000 1.091 364 D CA -0.080 53.805 54.000 -0.191 0.000 0.840 364 D CB 0.885 41.605 40.800 -0.134 0.000 1.060 364 D HN 0.635 nan 8.370 nan 0.000 0.502 365 L N 2.902 124.038 121.223 -0.144 0.000 2.667 365 L HA 0.117 4.459 4.340 0.004 0.000 0.232 365 L C 1.743 178.535 176.870 -0.129 0.000 1.138 365 L CA 0.233 54.991 54.840 -0.136 0.000 0.921 365 L CB 0.100 42.109 42.059 -0.083 0.000 1.180 365 L HN 0.456 nan 8.230 nan 0.000 0.487 366 T N -3.960 110.529 114.554 -0.108 0.000 3.086 366 T HA 0.268 4.620 4.350 0.004 0.000 0.250 366 T C 0.856 175.506 174.700 -0.084 0.000 1.074 366 T CA 0.214 62.262 62.100 -0.086 0.000 0.988 366 T CB 0.458 69.285 68.868 -0.068 0.000 0.988 366 T HN 0.205 nan 8.240 nan 0.000 0.530 367 G N 0.479 109.221 108.800 -0.095 0.000 3.119 367 G HA2 0.601 4.564 3.960 0.004 0.000 0.206 367 G HA3 0.601 4.564 3.960 0.004 0.000 0.206 367 G C -1.217 173.627 174.900 -0.094 0.000 1.313 367 G CA -0.705 44.347 45.100 -0.081 0.000 1.010 367 G HN 0.251 nan 8.290 nan 0.000 0.578 368 T N 2.200 116.708 114.554 -0.076 0.000 2.841 368 T HA 0.593 4.945 4.350 0.004 0.000 0.285 368 T C -1.927 172.733 174.700 -0.066 0.000 0.991 368 T CA -0.564 61.489 62.100 -0.079 0.000 0.966 368 T CB 1.977 70.812 68.868 -0.054 0.000 0.962 368 T HN 0.536 nan 8.240 nan 0.000 0.438 369 P HA 0.345 nan 4.420 nan 0.000 0.307 369 P C 0.996 178.182 177.300 -0.190 0.000 1.306 369 P CA -0.671 62.352 63.100 -0.129 0.000 0.742 369 P CB 0.788 32.415 31.700 -0.123 0.000 1.349 370 L N -0.995 120.039 121.223 -0.315 0.000 2.056 370 L HA 0.123 4.466 4.340 0.004 0.000 0.207 370 L C 0.880 177.454 176.870 -0.494 0.000 1.078 370 L CA 1.379 55.919 54.840 -0.499 0.000 0.749 370 L CB -0.779 40.803 42.059 -0.796 0.000 0.901 370 L HN 0.200 nan 8.230 nan 0.000 0.433 371 F N 0.099 119.965 119.950 -0.140 0.000 2.334 371 F HA 0.467 4.997 4.527 0.004 0.000 0.367 371 F C -0.417 175.257 175.800 -0.209 0.000 1.115 371 F CA -0.907 56.969 58.000 -0.206 0.000 1.116 371 F CB 0.912 39.848 39.000 -0.107 0.000 1.230 371 F HN -0.409 nan 8.300 nan 0.000 0.484 372 V N 2.856 122.678 119.914 -0.153 0.000 2.531 372 V HA 0.284 4.406 4.120 0.004 0.000 0.301 372 V C -0.975 174.965 176.094 -0.257 0.000 1.034 372 V CA -1.134 61.099 62.300 -0.111 0.000 0.865 372 V CB 1.543 33.324 31.823 -0.070 0.000 0.995 372 V HN 0.599 nan 8.190 nan 0.000 0.424 373 W N 4.122 125.425 121.300 0.007 0.000 2.390 373 W HA 0.645 5.307 4.660 0.003 0.000 0.312 373 W C 0.241 176.730 176.519 -0.049 0.000 1.123 373 W CA -0.481 56.838 57.345 -0.044 0.000 1.202 373 W CB 1.293 30.707 29.460 -0.075 0.000 1.251 373 W HN 0.309 nan 8.180 nan 0.000 0.511 374 K N 2.212 122.709 120.400 0.162 0.000 2.316 374 K HA 0.702 5.025 4.320 0.004 0.000 0.251 374 K C -1.279 175.367 176.600 0.077 0.000 0.934 374 K CA -1.118 55.216 56.287 0.079 0.000 0.802 374 K CB 2.543 35.057 32.500 0.023 0.000 1.171 374 K HN 0.134 nan 8.250 nan 0.000 0.426 375 V N 2.537 122.475 119.914 0.039 0.000 2.487 375 V HA 0.168 4.290 4.120 0.004 0.000 0.298 375 V C 0.176 176.287 176.094 0.027 0.000 1.028 375 V CA -0.850 61.468 62.300 0.030 0.000 0.860 375 V CB 1.162 32.984 31.823 -0.001 0.000 0.991 375 V HN 0.923 nan 8.190 nan 0.000 0.427 376 N N 3.331 122.059 118.700 0.047 0.000 2.721 376 N HA -0.214 4.528 4.740 0.004 0.000 0.249 376 N C 1.042 176.569 175.510 0.029 0.000 1.072 376 N CA 2.013 55.091 53.050 0.046 0.000 0.710 376 N CB -0.995 37.522 38.487 0.051 0.000 0.993 376 N HN 1.625 nan 8.380 nan 0.000 0.547 377 G N -2.854 105.961 108.800 0.024 0.000 2.194 377 G HA2 -0.167 3.796 3.960 0.004 0.000 0.236 377 G HA3 -0.167 3.796 3.960 0.004 0.000 0.236 377 G C -0.070 174.832 174.900 0.004 0.000 0.987 377 G CA 0.585 45.692 45.100 0.012 0.000 0.635 377 G HN 1.291 nan 8.290 nan 0.000 0.520 378 S N 1.242 116.945 115.700 0.004 0.000 2.571 378 S HA 0.520 4.992 4.470 0.004 0.000 0.284 378 S C -0.781 173.819 174.600 -0.001 0.000 1.128 378 S CA 0.084 58.282 58.200 -0.005 0.000 0.970 378 S CB 1.209 64.401 63.200 -0.013 0.000 1.039 378 S HN 0.554 nan 8.310 nan 0.000 0.485 379 D N 4.367 124.768 120.400 0.002 0.000 2.312 379 D HA 0.143 4.786 4.640 0.004 0.000 0.252 379 D C 0.500 176.791 176.300 -0.015 0.000 1.150 379 D CA -0.384 53.624 54.000 0.014 0.000 0.870 379 D CB 0.711 41.527 40.800 0.026 0.000 1.153 379 D HN 0.577 nan 8.370 nan 0.000 0.457 380 I N 1.705 122.258 120.570 -0.028 0.000 2.813 380 I HA -0.036 4.137 4.170 0.004 0.000 0.287 380 I C -0.183 175.886 176.117 -0.080 0.000 1.196 380 I CA 0.256 61.516 61.300 -0.068 0.000 1.421 380 I CB 0.390 38.333 38.000 -0.094 0.000 1.365 380 I HN 0.390 nan 8.210 nan 0.000 0.591 381 N N 6.372 125.009 118.700 -0.105 0.000 2.599 381 N HA 0.274 5.016 4.740 0.004 0.000 0.283 381 N C -1.135 174.272 175.510 -0.171 0.000 1.160 381 N CA -0.579 52.386 53.050 -0.141 0.000 0.869 381 N CB 1.296 39.715 38.487 -0.113 0.000 1.448 381 N HN 0.350 nan 8.380 nan 0.000 0.535 382 V N 0.153 119.928 119.914 -0.231 0.000 2.997 382 V HA 0.638 4.760 4.120 0.004 0.000 0.311 382 V C 0.004 175.935 176.094 -0.271 0.000 1.066 382 V CA -0.577 61.600 62.300 -0.206 0.000 1.039 382 V CB 1.593 33.311 31.823 -0.174 0.000 1.081 382 V HN 0.595 nan 8.190 nan 0.000 0.467 383 D N 2.269 122.588 120.400 -0.134 0.000 2.427 383 D HA 0.250 4.892 4.640 0.004 0.000 0.226 383 D C 0.499 176.806 176.300 0.011 0.000 1.076 383 D CA -0.540 53.398 54.000 -0.104 0.000 0.849 383 D CB 0.756 41.566 40.800 0.017 0.000 1.052 383 D HN 0.670 nan 8.370 nan 0.000 0.515 384 W N 2.719 123.947 121.300 -0.120 0.000 2.341 384 W HA -0.039 4.622 4.660 0.002 0.000 0.283 384 W C 1.910 178.374 176.519 -0.091 0.000 1.215 384 W CA 1.173 58.404 57.345 -0.190 0.000 1.211 384 W CB -0.780 28.509 29.460 -0.286 0.000 1.131 384 W HN 0.592 nan 8.180 nan 0.000 0.552 385 G N -0.801 108.175 108.800 0.293 0.000 3.042 385 G HA2 -0.025 3.938 3.960 0.004 0.000 0.212 385 G HA3 -0.025 3.938 3.960 0.004 0.000 0.212 385 G C 0.666 175.670 174.900 0.174 0.000 1.166 385 G CA -0.061 45.225 45.100 0.310 0.000 0.767 385 G HN 0.096 nan 8.290 nan 0.000 0.546 386 K N 0.943 121.436 120.400 0.155 0.000 3.050 386 K HA 0.303 4.626 4.320 0.004 0.000 0.185 386 K C -2.957 173.805 176.600 0.271 0.000 1.147 386 K CA -1.462 54.922 56.287 0.162 0.000 0.916 386 K CB 2.024 34.590 32.500 0.110 0.000 1.119 386 K HN -0.048 nan 8.250 nan 0.000 0.605 387 P HA 0.026 nan 4.420 nan 0.000 0.269 387 P C 1.155 178.684 177.300 0.382 0.000 1.215 387 P CA -0.522 62.758 63.100 0.300 0.000 0.780 387 P CB 0.596 32.518 31.700 0.369 0.000 0.898 388 I N 1.770 122.466 120.570 0.210 0.000 2.236 388 I HA -0.224 3.948 4.170 0.004 0.000 0.249 388 I C 1.928 178.147 176.117 0.170 0.000 1.102 388 I CA 1.683 63.066 61.300 0.139 0.000 1.365 388 I CB -1.111 36.803 38.000 -0.142 0.000 1.051 388 I HN 0.397 nan 8.210 nan 0.000 0.420 389 I N 0.689 121.283 120.570 0.040 0.000 2.454 389 I HA -0.266 3.907 4.170 0.004 0.000 0.254 389 I C 2.231 178.234 176.117 -0.191 0.000 1.156 389 I CA 1.361 62.550 61.300 -0.185 0.000 1.433 389 I CB -1.257 36.455 38.000 -0.480 0.000 1.082 389 I HN 0.253 nan 8.210 nan 0.000 0.432 390 D N 0.196 120.669 120.400 0.122 0.000 2.144 390 D HA -0.230 4.413 4.640 0.004 0.000 0.199 390 D C 2.143 178.496 176.300 0.089 0.000 0.984 390 D CA 1.430 55.542 54.000 0.187 0.000 0.834 390 D CB -0.013 40.976 40.800 0.315 0.000 0.955 390 D HN 0.289 nan 8.370 nan 0.000 0.465 391 Y N 0.085 120.442 120.300 0.094 0.000 2.200 391 Y HA -0.077 4.475 4.550 0.003 0.000 0.290 391 Y C 2.306 178.253 175.900 0.079 0.000 1.137 391 Y CA 0.487 58.653 58.100 0.110 0.000 1.163 391 Y CB -0.212 38.393 38.460 0.241 0.000 0.988 391 Y HN 0.067 nan 8.280 nan 0.000 0.518 392 I N -0.141 120.562 120.570 0.222 0.000 2.208 392 I HA -0.289 3.884 4.170 0.004 0.000 0.245 392 I C 2.093 178.229 176.117 0.031 0.000 1.097 392 I CA 1.688 63.048 61.300 0.099 0.000 1.363 392 I CB -1.212 36.794 38.000 0.009 0.000 1.051 392 I HN 0.288 nan 8.210 nan 0.000 0.413 393 L N 0.252 121.462 121.223 -0.022 0.000 2.395 393 L HA -0.105 4.238 4.340 0.004 0.000 0.218 393 L C 1.875 178.745 176.870 0.001 0.000 1.130 393 L CA 1.240 56.058 54.840 -0.037 0.000 0.826 393 L CB -0.502 41.499 42.059 -0.095 0.000 0.941 393 L HN 0.366 nan 8.230 nan 0.000 0.451 394 T N -4.477 110.085 114.554 0.015 0.000 3.134 394 T HA 0.290 4.643 4.350 0.004 0.000 0.260 394 T C 1.228 175.936 174.700 0.013 0.000 1.027 394 T CA 0.225 62.329 62.100 0.007 0.000 0.913 394 T CB 0.613 69.471 68.868 -0.016 0.000 1.046 394 T HN 0.307 nan 8.240 nan 0.000 0.553 395 G N 2.092 110.911 108.800 0.032 0.000 2.273 395 G HA2 -0.255 3.708 3.960 0.004 0.000 0.280 395 G HA3 -0.255 3.708 3.960 0.004 0.000 0.280 395 G C -0.212 174.703 174.900 0.026 0.000 1.047 395 G CA -0.045 45.075 45.100 0.032 0.000 0.869 395 G HN 0.755 nan 8.290 nan 0.000 0.502 396 N N 0.082 118.813 118.700 0.052 0.000 2.446 396 N HA 0.515 5.257 4.740 0.004 0.000 0.265 396 N C 1.128 176.618 175.510 -0.034 0.000 0.975 396 N CA 0.086 53.157 53.050 0.035 0.000 0.928 396 N CB 1.278 39.788 38.487 0.039 0.000 1.160 396 N HN 0.311 nan 8.380 nan 0.000 0.495 397 T N -1.043 113.384 114.554 -0.212 0.000 3.134 397 T HA 0.189 4.541 4.350 0.004 0.000 0.260 397 T C 0.049 174.266 174.700 -0.806 0.000 1.027 397 T CA -0.310 61.421 62.100 -0.614 0.000 0.913 397 T CB -0.315 68.389 68.868 -0.273 0.000 1.046 397 T HN 0.223 nan 8.240 nan 0.000 0.553 398 S N 2.631 118.083 115.700 -0.413 0.000 4.120 398 S HA 0.329 4.801 4.470 0.004 0.000 0.196 398 S C -0.699 173.765 174.600 -0.227 0.000 1.447 398 S CA -0.774 57.279 58.200 -0.245 0.000 0.939 398 S CB -0.930 62.239 63.200 -0.051 0.000 1.496 398 S HN 0.485 nan 8.310 nan 0.000 0.460 399 Y N 1.720 121.945 120.300 -0.125 0.000 2.526 399 Y HA 0.249 4.801 4.550 0.004 0.000 0.330 399 Y C -1.821 173.981 175.900 -0.163 0.000 1.156 399 Y CA -2.592 55.309 58.100 -0.332 0.000 1.419 399 Y CB -0.925 37.334 38.460 -0.336 0.000 1.250 399 Y HN 0.309 nan 8.280 nan 0.000 0.540 400 P HA -0.009 nan 4.420 nan 0.000 0.267 400 P C 0.801 178.103 177.300 0.003 0.000 1.200 400 P CA -0.094 63.017 63.100 0.020 0.000 0.772 400 P CB 0.833 32.548 31.700 0.025 0.000 0.855 401 V N 1.798 121.715 119.914 0.005 0.000 2.332 401 V HA -0.261 3.861 4.120 0.004 0.000 0.248 401 V C 2.095 178.174 176.094 -0.024 0.000 1.055 401 V CA 2.688 64.985 62.300 -0.004 0.000 1.038 401 V CB -1.347 30.476 31.823 -0.000 0.000 0.651 401 V HN 0.738 nan 8.190 nan 0.000 0.450 402 S N -1.147 114.535 115.700 -0.029 0.000 2.555 402 S HA -0.145 4.327 4.470 0.004 0.000 0.230 402 S C 1.434 175.991 174.600 -0.072 0.000 0.978 402 S CA 1.017 59.189 58.200 -0.046 0.000 0.934 402 S CB -0.371 62.801 63.200 -0.047 0.000 0.766 402 S HN 0.617 nan 8.310 nan 0.000 0.533 403 D N 1.811 122.163 120.400 -0.080 0.000 2.363 403 D HA 0.047 4.690 4.640 0.004 0.000 0.220 403 D C -0.147 176.068 176.300 -0.141 0.000 0.994 403 D CA 0.180 54.106 54.000 -0.123 0.000 0.890 403 D CB -0.286 40.423 40.800 -0.152 0.000 0.906 403 D HN 0.258 nan 8.370 nan 0.000 0.530 404 N N 0.847 119.482 118.700 -0.108 0.000 2.725 404 N HA -0.174 4.568 4.740 0.004 0.000 0.251 404 N C -0.476 174.938 175.510 -0.159 0.000 1.031 404 N CA 0.373 53.354 53.050 -0.115 0.000 0.720 404 N CB -1.144 37.270 38.487 -0.121 0.000 0.930 404 N HN 0.319 nan 8.380 nan 0.000 0.543 405 I N 0.521 121.000 120.570 -0.151 0.000 2.533 405 I HA 0.062 4.234 4.170 0.004 0.000 0.284 405 I C 0.799 176.850 176.117 -0.111 0.000 1.109 405 I CA -0.061 61.124 61.300 -0.193 0.000 1.412 405 I CB 0.785 38.621 38.000 -0.272 0.000 1.396 405 I HN -0.166 nan 8.210 nan 0.000 0.543 406 V N 7.194 127.038 119.914 -0.115 0.000 2.284 406 V HA 0.219 4.341 4.120 0.004 0.000 0.274 406 V C 0.271 176.444 176.094 0.131 0.000 1.023 406 V CA -0.705 61.602 62.300 0.011 0.000 0.808 406 V CB 1.102 32.867 31.823 -0.097 0.000 1.035 406 V HN 0.727 nan 8.190 nan 0.000 0.445 407 Q N 3.597 123.470 119.800 0.122 0.000 2.288 407 Q HA 0.483 4.825 4.340 0.004 0.000 0.258 407 Q C -1.111 175.011 176.000 0.204 0.000 0.957 407 Q CA -0.199 55.682 55.803 0.129 0.000 0.919 407 Q CB 1.480 30.281 28.738 0.105 0.000 1.185 407 Q HN 0.580 nan 8.270 nan 0.000 0.408 408 V N 5.343 125.384 119.914 0.211 0.000 2.325 408 V HA 0.133 4.255 4.120 0.004 0.000 0.280 408 V C -0.292 175.886 176.094 0.140 0.000 1.016 408 V CA -0.558 61.871 62.300 0.215 0.000 0.818 408 V CB 1.328 33.303 31.823 0.255 0.000 1.019 408 V HN 0.884 nan 8.190 nan 0.000 0.434 409 D N 2.773 123.237 120.400 0.108 0.000 2.346 409 D HA 0.137 4.780 4.640 0.004 0.000 0.206 409 D C 1.336 177.669 176.300 0.054 0.000 1.001 409 D CA 0.479 54.527 54.000 0.079 0.000 0.871 409 D CB 0.629 41.471 40.800 0.069 0.000 0.943 409 D HN 0.654 nan 8.370 nan 0.000 0.518 410 A N 1.016 123.860 122.820 0.039 0.000 2.565 410 A HA 0.156 4.478 4.320 0.004 0.000 0.237 410 A C 0.328 177.915 177.584 0.004 0.000 1.053 410 A CA 0.101 52.143 52.037 0.009 0.000 0.755 410 A CB 0.404 19.392 19.000 -0.020 0.000 0.980 410 A HN -0.019 nan 8.150 nan 0.000 0.506 411 V N 3.786 123.699 119.914 -0.001 0.000 2.333 411 V HA 0.264 4.386 4.120 0.004 0.000 0.274 411 V C 0.364 176.438 176.094 -0.032 0.000 1.028 411 V CA 0.537 62.836 62.300 -0.001 0.000 0.851 411 V CB 0.513 32.343 31.823 0.011 0.000 1.000 411 V HN 1.133 nan 8.190 nan 0.000 0.456 412 D N 3.540 123.908 120.400 -0.054 0.000 2.699 412 D HA -0.188 4.454 4.640 0.004 0.000 0.239 412 D C 0.050 176.247 176.300 -0.172 0.000 1.136 412 D CA 1.191 55.124 54.000 -0.110 0.000 0.668 412 D CB -0.429 40.330 40.800 -0.069 0.000 1.060 412 D HN 0.792 nan 8.370 nan 0.000 0.429 413 Q N -0.747 118.934 119.800 -0.198 0.000 2.433 413 Q HA 0.566 4.908 4.340 0.004 0.000 0.279 413 Q C -0.525 175.291 176.000 -0.306 0.000 1.105 413 Q CA -0.952 54.740 55.803 -0.185 0.000 0.815 413 Q CB 0.966 29.669 28.738 -0.058 0.000 1.403 413 Q HN 0.264 nan 8.270 nan 0.000 0.435 414 W N 1.544 122.760 121.300 -0.141 0.000 2.216 414 W HA 0.239 4.901 4.660 0.004 0.000 0.326 414 W C 0.305 176.603 176.519 -0.367 0.000 1.319 414 W CA 0.118 57.286 57.345 -0.295 0.000 1.213 414 W CB 0.817 30.105 29.460 -0.287 0.000 1.171 414 W HN 0.421 nan 8.180 nan 0.000 0.557 415 T N 0.544 114.883 114.554 -0.358 0.000 2.876 415 T HA 0.572 4.924 4.350 0.004 0.000 0.289 415 T C -1.287 172.999 174.700 -0.690 0.000 1.014 415 T CA -0.888 60.939 62.100 -0.455 0.000 0.986 415 T CB 1.137 69.718 68.868 -0.477 0.000 1.021 415 T HN 0.211 nan 8.240 nan 0.000 0.458 416 Y N 0.532 120.391 120.300 -0.735 0.000 2.393 416 Y HA 0.640 5.192 4.550 0.004 0.000 0.341 416 Y C -0.911 174.442 175.900 -0.911 0.000 0.988 416 Y CA -1.057 56.711 58.100 -0.553 0.000 1.078 416 Y CB 1.858 40.229 38.460 -0.148 0.000 1.203 416 Y HN 0.727 nan 8.280 nan 0.000 0.453 417 W N 4.936 126.270 121.300 0.058 0.000 2.756 417 W HA 0.536 5.199 4.660 0.005 0.000 0.333 417 W C -1.572 174.949 176.519 0.004 0.000 1.025 417 W CA -0.640 56.742 57.345 0.061 0.000 1.246 417 W CB 1.413 30.896 29.460 0.037 0.000 1.358 417 W HN 0.245 nan 8.180 nan 0.000 0.444 418 L N 5.310 126.657 121.223 0.207 0.000 2.265 418 L HA 0.625 4.967 4.340 0.004 0.000 0.289 418 L C -0.837 176.170 176.870 0.230 0.000 1.033 418 L CA -0.571 54.321 54.840 0.087 0.000 0.814 418 L CB 0.185 42.208 42.059 -0.059 0.000 1.203 418 L HN 0.323 nan 8.230 nan 0.000 0.423 419 I N 4.568 125.300 120.570 0.270 0.000 2.336 419 I HA 0.362 4.534 4.170 0.004 0.000 0.292 419 I C -0.091 176.205 176.117 0.298 0.000 0.991 419 I CA -0.110 61.364 61.300 0.291 0.000 1.227 419 I CB 1.329 39.520 38.000 0.320 0.000 1.366 419 I HN 0.559 nan 8.210 nan 0.000 0.466 420 E N 4.435 124.789 120.200 0.257 0.000 2.158 420 E HA 0.258 4.611 4.350 0.004 0.000 0.271 420 E C -0.580 176.160 176.600 0.233 0.000 0.911 420 E CA -0.732 55.834 56.400 0.277 0.000 0.767 420 E CB 1.346 31.183 29.700 0.229 0.000 1.120 420 E HN 0.314 nan 8.360 nan 0.000 0.405 421 N N 3.249 122.101 118.700 0.254 0.000 3.188 421 N HA -0.004 4.739 4.740 0.004 0.000 0.279 421 N C -0.729 174.906 175.510 0.207 0.000 1.213 421 N CA 0.008 53.200 53.050 0.237 0.000 1.138 421 N CB -0.239 38.400 38.487 0.253 0.000 1.417 421 N HN 0.488 nan 8.380 nan 0.000 0.526 422 D N 0.739 121.242 120.400 0.171 0.000 2.692 422 D HA -0.169 4.474 4.640 0.004 0.000 0.233 422 D C -1.424 174.932 176.300 0.094 0.000 1.172 422 D CA 0.218 54.287 54.000 0.114 0.000 0.636 422 D CB 0.138 41.001 40.800 0.105 0.000 1.028 422 D HN 0.435 nan 8.370 nan 0.000 0.419 423 P HA -0.112 nan 4.420 nan 0.000 0.226 423 P C 0.840 178.177 177.300 0.062 0.000 1.153 423 P CA 0.807 63.973 63.100 0.109 0.000 0.777 423 P CB 0.406 32.200 31.700 0.156 0.000 0.794 424 E N -0.178 120.050 120.200 0.046 0.000 2.474 424 E HA 0.195 4.547 4.350 0.004 0.000 0.195 424 E C 1.298 177.893 176.600 -0.008 0.000 1.039 424 E CA -0.069 56.343 56.400 0.021 0.000 0.881 424 E CB -0.172 29.543 29.700 0.023 0.000 0.970 424 E HN 0.190 nan 8.360 nan 0.000 0.486 425 G N 2.107 110.889 108.800 -0.030 0.000 2.599 425 G HA2 0.199 4.161 3.960 0.004 0.000 0.264 425 G HA3 0.199 4.161 3.960 0.004 0.000 0.264 425 G C -1.383 173.458 174.900 -0.097 0.000 1.200 425 G CA -0.872 44.166 45.100 -0.103 0.000 0.896 425 G HN -0.073 nan 8.290 nan 0.000 0.536 426 P HA 0.049 nan 4.420 nan 0.000 0.221 426 P C -0.102 177.284 177.300 0.144 0.000 1.150 426 P CA 1.002 64.107 63.100 0.008 0.000 0.800 426 P CB -0.078 31.668 31.700 0.076 0.000 0.787 427 F N -3.633 116.339 119.950 0.037 0.000 2.773 427 F HA 0.749 5.278 4.527 0.003 0.000 0.314 427 F C -1.128 174.721 175.800 0.083 0.000 1.160 427 F CA -1.444 56.585 58.000 0.048 0.000 0.920 427 F CB 0.795 39.818 39.000 0.039 0.000 1.323 427 F HN -0.303 nan 8.300 nan 0.000 0.457 428 S N 1.132 117.014 115.700 0.304 0.000 2.533 428 S HA 0.826 5.299 4.470 0.004 0.000 0.271 428 S C -1.813 172.931 174.600 0.240 0.000 1.143 428 S CA -0.684 57.659 58.200 0.239 0.000 0.891 428 S CB 1.225 64.527 63.200 0.170 0.000 1.105 428 S HN 0.808 nan 8.310 nan 0.000 0.468 429 L N 3.249 124.589 121.223 0.195 0.000 2.333 429 L HA 0.613 4.955 4.340 0.004 0.000 0.269 429 L C -2.465 174.258 176.870 -0.245 0.000 1.010 429 L CA -2.759 52.081 54.840 0.000 0.000 0.818 429 L CB 1.975 44.028 42.059 -0.011 0.000 1.306 429 L HN 0.444 nan 8.230 nan 0.000 0.430 430 P HA 0.118 nan 4.420 nan 0.000 0.269 430 P C -1.228 175.817 177.300 -0.425 0.000 1.209 430 P CA 0.164 63.133 63.100 -0.217 0.000 0.776 430 P CB 0.386 31.985 31.700 -0.169 0.000 0.876 431 H N 2.320 121.419 119.070 0.048 0.000 2.689 431 H HA 0.264 4.822 4.556 0.004 0.000 0.346 431 H C -2.415 172.993 175.328 0.134 0.000 1.037 431 H CA -1.978 54.110 56.048 0.067 0.000 1.234 431 H CB 2.059 31.811 29.762 -0.017 0.000 1.572 431 H HN 0.281 nan 8.280 nan 0.000 0.524 432 P HA 0.117 nan 4.420 nan 0.000 0.284 432 P C -0.214 177.213 177.300 0.212 0.000 1.343 432 P CA -0.460 62.816 63.100 0.293 0.000 0.826 432 P CB 0.477 32.344 31.700 0.279 0.000 0.956 433 M N 3.682 123.394 119.600 0.188 0.000 2.180 433 M HA 0.263 4.746 4.480 0.004 0.000 0.358 433 M C 0.147 176.617 176.300 0.283 0.000 1.233 433 M CA -0.248 55.084 55.300 0.053 0.000 1.114 433 M CB -0.059 32.527 32.600 -0.024 0.000 1.594 433 M HN 0.455 nan 8.290 nan 0.000 0.467 434 H N 2.676 121.752 119.070 0.010 0.000 2.667 434 H HA 0.664 5.222 4.556 0.004 0.000 0.353 434 H C -2.130 173.376 175.328 0.298 0.000 1.072 434 H CA -0.820 55.340 56.048 0.186 0.000 1.214 434 H CB 1.334 31.140 29.762 0.073 0.000 1.600 434 H HN 0.580 nan 8.280 nan 0.000 0.527 435 L N 5.778 126.950 121.223 -0.085 0.000 2.313 435 L HA 0.358 4.700 4.340 0.004 0.000 0.283 435 L C -0.674 175.958 176.870 -0.397 0.000 1.013 435 L CA -0.232 54.602 54.840 -0.011 0.000 0.816 435 L CB 0.725 42.918 42.059 0.224 0.000 1.236 435 L HN 0.809 nan 8.230 nan 0.000 0.419 436 H N 3.824 122.692 119.070 -0.337 0.000 2.615 436 H HA 0.354 4.912 4.556 0.004 0.000 0.363 436 H C 0.951 176.019 175.328 -0.432 0.000 1.148 436 H CA 0.230 56.176 56.048 -0.171 0.000 1.401 436 H CB 1.010 30.875 29.762 0.171 0.000 1.461 436 H HN 0.946 nan 8.280 nan 0.000 0.588 437 G N 1.424 109.840 108.800 -0.640 0.000 2.205 437 G HA2 -0.223 3.740 3.960 0.004 0.000 0.261 437 G HA3 -0.223 3.740 3.960 0.004 0.000 0.261 437 G C -0.019 174.031 174.900 -1.418 0.000 0.980 437 G CA 0.199 44.271 45.100 -1.713 0.000 0.632 437 G HN 0.812 nan 8.290 nan 0.000 0.533 438 H N -0.319 118.367 119.070 -0.640 0.000 3.064 438 H HA 0.294 4.852 4.556 0.004 0.000 0.352 438 H C -1.441 173.676 175.328 -0.351 0.000 1.260 438 H CA -0.825 54.945 56.048 -0.464 0.000 1.160 438 H CB 1.326 30.780 29.762 -0.513 0.000 1.879 438 H HN 0.177 nan 8.280 nan 0.000 0.544 439 D N 2.208 122.540 120.400 -0.115 0.000 2.255 439 D HA 0.189 4.831 4.640 0.004 0.000 0.249 439 D C 0.177 176.446 176.300 -0.052 0.000 1.078 439 D CA -0.018 53.868 54.000 -0.190 0.000 0.896 439 D CB 1.054 41.791 40.800 -0.106 0.000 1.194 439 D HN 0.186 nan 8.370 nan 0.000 0.429 440 F N -0.357 119.642 119.950 0.081 0.000 2.457 440 F HA 0.542 5.071 4.527 0.004 0.000 0.330 440 F C -0.243 175.648 175.800 0.150 0.000 1.069 440 F CA -1.429 56.657 58.000 0.143 0.000 1.009 440 F CB 0.251 39.318 39.000 0.111 0.000 1.276 440 F HN 0.023 nan 8.300 nan 0.000 0.492 441 L N 2.084 123.583 121.223 0.459 0.000 2.292 441 L HA 0.463 4.806 4.340 0.004 0.000 0.284 441 L C -0.576 176.461 176.870 0.279 0.000 1.065 441 L CA -1.178 53.825 54.840 0.273 0.000 0.806 441 L CB 1.519 43.611 42.059 0.057 0.000 1.175 441 L HN 0.456 nan 8.230 nan 0.000 0.431 442 V N 5.411 125.478 119.914 0.254 0.000 2.322 442 V HA 0.099 4.221 4.120 0.004 0.000 0.258 442 V C 1.175 177.330 176.094 0.102 0.000 1.074 442 V CA -0.155 62.253 62.300 0.180 0.000 0.909 442 V CB 0.734 32.685 31.823 0.214 0.000 1.090 442 V HN 0.705 nan 8.190 nan 0.000 0.486 443 L N 3.462 124.727 121.223 0.071 0.000 2.313 443 L HA 0.371 4.713 4.340 0.004 0.000 0.214 443 L C 1.172 178.098 176.870 0.093 0.000 1.119 443 L CA 1.022 55.896 54.840 0.057 0.000 0.809 443 L CB -0.167 41.910 42.059 0.029 0.000 0.933 443 L HN 0.795 nan 8.230 nan 0.000 0.449 444 G N -0.062 108.811 108.800 0.122 0.000 2.316 444 G HA2 0.431 4.393 3.960 0.004 0.000 0.296 444 G HA3 0.431 4.393 3.960 0.004 0.000 0.296 444 G C -1.640 173.305 174.900 0.076 0.000 1.399 444 G CA -0.785 44.398 45.100 0.137 0.000 0.833 444 G HN 0.138 nan 8.290 nan 0.000 0.565 445 R N -1.555 118.801 120.500 -0.240 0.000 2.766 445 R HA 0.785 5.127 4.340 0.004 0.000 0.270 445 R C 0.169 175.661 176.300 -1.347 0.000 1.035 445 R CA -0.244 55.408 56.100 -0.747 0.000 0.911 445 R CB 0.767 30.858 30.300 -0.348 0.000 1.243 445 R HN 1.178 nan 8.270 nan 0.000 0.460 446 S N 0.358 115.022 115.700 -1.727 0.000 2.576 446 S HA 0.245 4.718 4.470 0.004 0.000 0.272 446 S C -2.177 171.922 174.600 -0.835 0.000 1.352 446 S CA -0.868 56.512 58.200 -1.368 0.000 1.021 446 S CB 0.042 62.608 63.200 -1.057 0.000 0.887 446 S HN 0.468 nan 8.310 nan 0.000 0.542 447 P HA 0.154 nan 4.420 nan 0.000 0.266 447 P C -0.837 176.250 177.300 -0.355 0.000 1.195 447 P CA 0.004 62.760 63.100 -0.574 0.000 0.768 447 P CB 0.168 31.474 31.700 -0.657 0.000 0.838 448 D N 1.570 121.846 120.400 -0.206 0.000 2.358 448 D HA 0.186 4.829 4.640 0.004 0.000 0.258 448 D C 0.246 176.514 176.300 -0.053 0.000 1.223 448 D CA 0.332 54.258 54.000 -0.123 0.000 0.886 448 D CB 0.091 40.827 40.800 -0.107 0.000 1.120 448 D HN 0.056 nan 8.370 nan 0.000 0.482 449 V N 0.538 120.452 119.914 -0.001 0.000 3.141 449 V HA 0.728 4.851 4.120 0.004 0.000 0.312 449 V C -2.743 173.361 176.094 0.017 0.000 1.157 449 V CA -2.608 59.718 62.300 0.044 0.000 1.041 449 V CB 1.585 33.491 31.823 0.138 0.000 1.071 449 V HN 0.140 nan 8.190 nan 0.000 0.441 450 P HA 0.315 nan 4.420 nan 0.000 0.268 450 P C 0.642 177.949 177.300 0.012 0.000 1.204 450 P CA 0.461 63.564 63.100 0.005 0.000 0.768 450 P CB 1.085 32.791 31.700 0.011 0.000 0.842 451 A N 3.720 126.539 122.820 -0.003 0.000 2.019 451 A HA -0.074 4.248 4.320 0.004 0.000 0.219 451 A C 1.827 179.422 177.584 0.018 0.000 1.164 451 A CA 1.893 53.929 52.037 -0.002 0.000 0.644 451 A CB -1.072 17.912 19.000 -0.026 0.000 0.805 451 A HN 0.548 nan 8.150 nan 0.000 0.449 452 A N -0.151 122.682 122.820 0.021 0.000 2.308 452 A HA 0.289 4.612 4.320 0.004 0.000 0.217 452 A C 1.945 179.546 177.584 0.028 0.000 1.216 452 A CA 0.963 53.015 52.037 0.026 0.000 0.864 452 A CB -0.545 18.468 19.000 0.023 0.000 0.902 452 A HN 0.825 nan 8.150 nan 0.000 0.499 453 S N -0.787 114.930 115.700 0.027 0.000 2.555 453 S HA -0.084 4.388 4.470 0.004 0.000 0.230 453 S C 0.921 175.533 174.600 0.020 0.000 0.978 453 S CA 0.921 59.134 58.200 0.023 0.000 0.934 453 S CB -0.178 63.038 63.200 0.025 0.000 0.766 453 S HN 0.495 nan 8.310 nan 0.000 0.533 454 Q N -0.777 119.041 119.800 0.031 0.000 2.324 454 Q HA -0.207 4.135 4.340 0.004 0.000 0.200 454 Q C -0.577 175.416 176.000 -0.012 0.000 0.645 454 Q CA 1.356 57.177 55.803 0.029 0.000 1.377 454 Q CB -2.258 26.497 28.738 0.029 0.000 1.486 454 Q HN 0.851 nan 8.270 nan 0.000 0.796 455 Q N 0.820 120.599 119.800 -0.035 0.000 2.313 455 Q HA 0.364 4.706 4.340 0.004 0.000 0.266 455 Q C -0.021 175.836 176.000 -0.238 0.000 0.989 455 Q CA 0.344 56.056 55.803 -0.151 0.000 0.890 455 Q CB 0.695 29.361 28.738 -0.121 0.000 1.200 455 Q HN 0.099 nan 8.270 nan 0.000 0.396 456 R N 1.784 122.054 120.500 -0.384 0.000 2.664 456 R HA 0.601 4.943 4.340 0.004 0.000 0.286 456 R C -1.181 174.782 176.300 -0.562 0.000 0.967 456 R CA -0.376 55.558 56.100 -0.275 0.000 0.933 456 R CB 1.224 31.465 30.300 -0.099 0.000 1.146 456 R HN 0.422 nan 8.270 nan 0.000 0.468 457 F N 0.657 120.699 119.950 0.153 0.000 2.569 457 F HA 0.460 4.990 4.527 0.004 0.000 0.312 457 F C -0.539 175.478 175.800 0.362 0.000 1.109 457 F CA -0.953 57.189 58.000 0.236 0.000 0.919 457 F CB 1.884 41.035 39.000 0.251 0.000 1.211 457 F HN 0.044 nan 8.300 nan 0.000 0.446 458 V N 2.996 123.190 119.914 0.466 0.000 2.628 458 V HA 0.301 4.423 4.120 0.004 0.000 0.306 458 V C -0.483 175.755 176.094 0.240 0.000 1.045 458 V CA -1.115 61.400 62.300 0.358 0.000 0.905 458 V CB 1.976 33.920 31.823 0.201 0.000 0.997 458 V HN 0.609 nan 8.190 nan 0.000 0.436 459 F N 4.173 123.989 119.950 -0.223 0.000 2.602 459 F HA 0.221 4.750 4.527 0.004 0.000 0.385 459 F C 0.215 175.895 175.800 -0.200 0.000 1.063 459 F CA 0.486 58.124 58.000 -0.603 0.000 1.233 459 F CB 0.295 38.772 39.000 -0.871 0.000 1.067 459 F HN 0.592 nan 8.300 nan 0.000 0.564 460 D N 9.034 129.003 120.400 -0.718 0.000 2.473 460 D HA 0.305 4.947 4.640 0.004 0.000 0.253 460 D C -2.005 173.921 176.300 -0.623 0.000 1.233 460 D CA -2.430 51.306 54.000 -0.440 0.000 0.908 460 D CB 1.877 42.580 40.800 -0.162 0.000 1.170 460 D HN 0.174 nan 8.370 nan 0.000 0.558 461 P HA -0.131 nan 4.420 nan 0.000 0.219 461 P C 1.099 178.284 177.300 -0.192 0.000 1.146 461 P CA 0.852 63.757 63.100 -0.325 0.000 0.808 461 P CB 0.213 31.883 31.700 -0.051 0.000 0.779 462 A N -0.120 122.612 122.820 -0.146 0.000 2.019 462 A HA -0.093 4.229 4.320 0.004 0.000 0.219 462 A C 2.174 179.712 177.584 -0.077 0.000 1.164 462 A CA 2.238 54.225 52.037 -0.083 0.000 0.644 462 A CB -1.220 17.744 19.000 -0.060 0.000 0.805 462 A HN 0.255 nan 8.150 nan 0.000 0.449 463 V N -4.873 114.973 119.914 -0.113 0.000 3.484 463 V HA 0.161 4.284 4.120 0.004 0.000 0.252 463 V C 1.205 177.249 176.094 -0.083 0.000 1.282 463 V CA 1.032 63.290 62.300 -0.070 0.000 1.104 463 V CB -0.030 31.775 31.823 -0.031 0.000 0.868 463 V HN 0.222 nan 8.190 nan 0.000 0.457 464 D N 0.829 121.100 120.400 -0.215 0.000 2.301 464 D HA 0.195 4.837 4.640 0.004 0.000 0.206 464 D C 2.119 178.394 176.300 -0.041 0.000 0.979 464 D CA 0.816 54.717 54.000 -0.165 0.000 0.874 464 D CB 0.345 40.787 40.800 -0.597 0.000 0.968 464 D HN 0.402 nan 8.370 nan 0.000 0.510 465 L N 1.053 122.236 121.223 -0.066 0.000 2.079 465 L HA -0.164 4.178 4.340 0.004 0.000 0.210 465 L C 2.408 179.317 176.870 0.065 0.000 1.081 465 L CA 1.243 56.132 54.840 0.081 0.000 0.752 465 L CB -0.409 41.693 42.059 0.072 0.000 0.896 465 L HN -0.024 nan 8.230 nan 0.000 0.433 466 A N -0.270 122.567 122.820 0.029 0.000 2.119 466 A HA -0.100 4.222 4.320 0.004 0.000 0.217 466 A C 2.231 179.840 177.584 0.042 0.000 1.153 466 A CA 0.841 52.895 52.037 0.028 0.000 0.692 466 A CB -0.364 18.642 19.000 0.010 0.000 0.799 466 A HN 0.356 nan 8.150 nan 0.000 0.458 467 R N -0.720 119.821 120.500 0.067 0.000 2.297 467 R HA 0.246 4.588 4.340 0.004 0.000 0.197 467 R C -0.282 176.084 176.300 0.111 0.000 0.943 467 R CA -0.096 56.054 56.100 0.082 0.000 1.038 467 R CB -0.143 30.221 30.300 0.107 0.000 0.957 467 R HN 0.407 nan 8.270 nan 0.000 0.484 468 L N 1.116 122.414 121.223 0.125 0.000 2.375 468 L HA 0.218 4.560 4.340 0.004 0.000 0.271 468 L C -0.040 176.869 176.870 0.066 0.000 1.107 468 L CA -0.617 54.294 54.840 0.119 0.000 0.806 468 L CB 0.614 42.746 42.059 0.122 0.000 1.146 468 L HN -0.061 nan 8.230 nan 0.000 0.447 469 N N 0.623 119.353 118.700 0.051 0.000 2.504 469 N HA 0.351 5.093 4.740 0.004 0.000 0.280 469 N C 0.075 175.589 175.510 0.007 0.000 1.052 469 N CA -0.406 52.660 53.050 0.027 0.000 0.887 469 N CB 1.847 40.351 38.487 0.028 0.000 1.323 469 N HN 0.636 nan 8.380 nan 0.000 0.509 470 G N 1.391 110.184 108.800 -0.012 0.000 3.393 470 G HA2 0.013 3.975 3.960 0.004 0.000 0.255 470 G HA3 0.013 3.975 3.960 0.004 0.000 0.255 470 G C -0.194 174.667 174.900 -0.066 0.000 1.097 470 G CA -0.243 44.823 45.100 -0.057 0.000 0.780 470 G HN 0.561 nan 8.290 nan 0.000 0.540 471 D N 1.091 121.473 120.400 -0.031 0.000 2.479 471 D HA 0.130 4.772 4.640 0.004 0.000 0.218 471 D C 0.598 176.892 176.300 -0.009 0.000 1.131 471 D CA -0.657 53.330 54.000 -0.021 0.000 0.916 471 D CB -0.274 40.522 40.800 -0.006 0.000 1.022 471 D HN 0.009 nan 8.370 nan 0.000 0.515 472 N N 2.806 121.496 118.700 -0.017 0.000 2.688 472 N HA -0.128 4.614 4.740 0.004 0.000 0.258 472 N C -2.482 173.040 175.510 0.018 0.000 1.016 472 N CA 0.288 53.341 53.050 0.005 0.000 0.747 472 N CB -0.352 38.149 38.487 0.022 0.000 0.895 472 N HN 0.317 nan 8.380 nan 0.000 0.543 473 P HA 0.262 nan 4.420 nan 0.000 0.275 473 P C -2.556 174.784 177.300 0.066 0.000 1.266 473 P CA -1.039 62.084 63.100 0.038 0.000 0.793 473 P CB -0.033 31.685 31.700 0.030 0.000 1.074 474 P HA 0.093 nan 4.420 nan 0.000 0.264 474 P C -0.123 177.254 177.300 0.128 0.000 1.183 474 P CA 0.752 63.918 63.100 0.110 0.000 0.763 474 P CB 0.198 31.979 31.700 0.135 0.000 0.807 475 R N 3.812 124.370 120.500 0.097 0.000 2.451 475 R HA 0.560 4.902 4.340 0.004 0.000 0.307 475 R C -0.135 176.157 176.300 -0.014 0.000 0.965 475 R CA -0.632 55.515 56.100 0.078 0.000 0.865 475 R CB 0.834 31.188 30.300 0.090 0.000 1.174 475 R HN 0.610 nan 8.270 nan 0.000 0.455 476 R N 1.052 121.461 120.500 -0.152 0.000 2.835 476 R HA 0.191 4.533 4.340 0.004 0.000 0.271 476 R C -1.075 174.848 176.300 -0.627 0.000 1.013 476 R CA -0.572 55.375 56.100 -0.254 0.000 0.876 476 R CB 0.146 30.367 30.300 -0.132 0.000 1.348 476 R HN 0.500 nan 8.270 nan 0.000 0.453 477 D N -0.966 119.181 120.400 -0.422 0.000 2.398 477 D HA 0.172 4.814 4.640 0.004 0.000 0.210 477 D C -0.559 175.719 176.300 -0.036 0.000 1.094 477 D CA 0.062 53.805 54.000 -0.429 0.000 0.839 477 D CB 0.933 41.696 40.800 -0.062 0.000 0.963 477 D HN 0.422 nan 8.370 nan 0.000 0.506 478 T N -0.658 113.952 114.554 0.094 0.000 2.952 478 T HA 0.607 4.959 4.350 0.004 0.000 0.305 478 T C -1.169 173.782 174.700 0.418 0.000 1.064 478 T CA -0.641 61.695 62.100 0.394 0.000 1.008 478 T CB 2.250 71.260 68.868 0.237 0.000 1.078 478 T HN -0.008 nan 8.240 nan 0.000 0.459 479 T N 2.108 116.971 114.554 0.515 0.000 2.792 479 T HA 0.567 4.920 4.350 0.004 0.000 0.303 479 T C -1.362 173.515 174.700 0.296 0.000 1.310 479 T CA -0.798 61.532 62.100 0.382 0.000 1.007 479 T CB 1.054 70.183 68.868 0.435 0.000 1.335 479 T HN 0.358 nan 8.240 nan 0.000 0.504 480 M N 2.952 122.698 119.600 0.243 0.000 2.180 480 M HA 0.407 4.889 4.480 0.004 0.000 0.358 480 M C -0.416 175.964 176.300 0.134 0.000 1.233 480 M CA -0.866 54.553 55.300 0.199 0.000 1.114 480 M CB 0.588 33.285 32.600 0.162 0.000 1.594 480 M HN 0.527 nan 8.290 nan 0.000 0.467 481 L N 7.414 128.725 121.223 0.148 0.000 2.283 481 L HA 0.414 4.757 4.340 0.004 0.000 0.287 481 L C -2.322 174.605 176.870 0.094 0.000 1.073 481 L CA -1.399 53.522 54.840 0.135 0.000 0.822 481 L CB 0.397 42.572 42.059 0.192 0.000 1.186 481 L HN 0.362 nan 8.230 nan 0.000 0.436 482 P HA 0.135 nan 4.420 nan 0.000 0.268 482 P C -0.814 176.521 177.300 0.059 0.000 1.205 482 P CA -0.224 62.879 63.100 0.006 0.000 0.771 482 P CB 0.557 32.224 31.700 -0.055 0.000 0.858 483 A N 3.384 126.230 122.820 0.042 0.000 2.584 483 A HA 0.350 4.672 4.320 0.004 0.000 0.239 483 A C 1.621 179.275 177.584 0.116 0.000 1.043 483 A CA 0.864 52.946 52.037 0.075 0.000 0.756 483 A CB -1.515 17.515 19.000 0.051 0.000 0.963 483 A HN 0.906 nan 8.150 nan 0.000 0.511 484 G N 1.344 110.231 108.800 0.144 0.000 2.168 484 G HA2 0.001 3.963 3.960 0.004 0.000 0.263 484 G HA3 0.001 3.963 3.960 0.004 0.000 0.263 484 G C 0.954 175.974 174.900 0.200 0.000 0.977 484 G CA 1.087 46.273 45.100 0.143 0.000 0.659 484 G HN 1.979 nan 8.290 nan 0.000 0.533 485 G N -0.905 108.026 108.800 0.220 0.000 3.234 485 G HA2 0.764 4.726 3.960 0.004 0.000 0.159 485 G HA3 0.764 4.726 3.960 0.004 0.000 0.159 485 G C -0.145 174.939 174.900 0.307 0.000 1.175 485 G CA -0.156 45.096 45.100 0.254 0.000 0.900 485 G HN 1.128 nan 8.290 nan 0.000 0.621 486 W N -2.023 119.394 121.300 0.196 0.000 3.074 486 W HA 0.734 5.396 4.660 0.004 0.000 0.332 486 W C -2.612 173.981 176.519 0.125 0.000 1.253 486 W CA -1.079 56.367 57.345 0.169 0.000 1.180 486 W CB 1.240 30.822 29.460 0.204 0.000 1.445 486 W HN 0.599 nan 8.180 nan 0.000 0.573 487 L N 2.919 124.435 121.223 0.489 0.000 2.464 487 L HA 0.689 5.031 4.340 0.004 0.000 0.266 487 L C -1.908 175.170 176.870 0.346 0.000 0.965 487 L CA -0.761 54.263 54.840 0.308 0.000 0.833 487 L CB 1.915 44.080 42.059 0.176 0.000 1.296 487 L HN 0.425 nan 8.230 nan 0.000 0.405 488 L N 5.508 126.901 121.223 0.283 0.000 2.325 488 L HA 0.708 5.051 4.340 0.004 0.000 0.281 488 L C -1.545 175.334 176.870 0.014 0.000 1.004 488 L CA -0.073 54.800 54.840 0.055 0.000 0.823 488 L CB 1.326 43.323 42.059 -0.103 0.000 1.236 488 L HN 0.607 nan 8.230 nan 0.000 0.415 489 L N 4.404 125.624 121.223 -0.004 0.000 2.323 489 L HA 0.990 5.332 4.340 0.004 0.000 0.265 489 L C -0.415 176.476 176.870 0.036 0.000 1.012 489 L CA -0.862 53.964 54.840 -0.022 0.000 0.820 489 L CB 1.937 43.874 42.059 -0.203 0.000 1.334 489 L HN 0.735 nan 8.230 nan 0.000 0.427 490 A N 1.599 124.458 122.820 0.065 0.000 2.498 490 A HA 0.910 5.233 4.320 0.004 0.000 0.298 490 A C -1.360 176.433 177.584 0.348 0.000 1.075 490 A CA -0.388 51.649 52.037 -0.001 0.000 0.714 490 A CB 1.764 20.506 19.000 -0.430 0.000 1.299 490 A HN 0.606 nan 8.150 nan 0.000 0.407 491 F N -0.633 119.388 119.950 0.119 0.000 2.631 491 F HA 0.812 5.341 4.527 0.004 0.000 0.308 491 F C -0.613 175.000 175.800 -0.312 0.000 1.097 491 F CA -0.946 57.038 58.000 -0.027 0.000 0.952 491 F CB 1.515 40.336 39.000 -0.299 0.000 1.307 491 F HN 0.656 nan 8.300 nan 0.000 0.450 492 R N 0.991 121.141 120.500 -0.583 0.000 2.368 492 R HA 0.427 4.769 4.340 0.004 0.000 0.302 492 R C -0.392 175.697 176.300 -0.352 0.000 1.002 492 R CA -0.242 55.351 56.100 -0.846 0.000 0.929 492 R CB 1.409 30.882 30.300 -1.379 0.000 1.073 492 R HN 0.937 nan 8.270 nan 0.000 0.464 493 T N 0.505 114.890 114.554 -0.281 0.000 4.098 493 T HA 0.062 4.414 4.350 0.004 0.000 0.291 493 T C 0.110 174.839 174.700 0.048 0.000 1.440 493 T CA -0.697 61.386 62.100 -0.027 0.000 1.164 493 T CB -0.167 68.676 68.868 -0.042 0.000 1.313 493 T HN 0.619 nan 8.240 nan 0.000 0.951 494 D N 0.109 120.575 120.400 0.111 0.000 2.342 494 D HA 0.090 4.732 4.640 0.004 0.000 0.221 494 D C 0.242 176.596 176.300 0.090 0.000 1.101 494 D CA -0.472 53.561 54.000 0.054 0.000 0.837 494 D CB 0.069 40.855 40.800 -0.023 0.000 0.938 494 D HN 0.418 nan 8.370 nan 0.000 0.508 495 N N 0.556 119.368 118.700 0.186 0.000 2.751 495 N HA 0.237 4.979 4.740 0.004 0.000 0.238 495 N C -3.048 172.713 175.510 0.418 0.000 1.351 495 N CA -1.464 51.694 53.050 0.179 0.000 0.751 495 N CB 1.292 39.685 38.487 -0.156 0.000 1.342 495 N HN -0.202 nan 8.380 nan 0.000 0.540 496 P HA 0.346 nan 4.420 nan 0.000 0.265 496 P C 0.057 177.483 177.300 0.210 0.000 1.193 496 P CA 0.431 63.680 63.100 0.249 0.000 0.765 496 P CB 0.761 32.539 31.700 0.130 0.000 0.823 497 G N 0.931 109.735 108.800 0.006 0.000 2.328 497 G HA2 0.472 4.434 3.960 0.004 0.000 0.299 497 G HA3 0.472 4.434 3.960 0.004 0.000 0.299 497 G C -1.907 172.513 174.900 -0.800 0.000 1.435 497 G CA -0.206 44.546 45.100 -0.580 0.000 0.865 497 G HN 0.430 nan 8.290 nan 0.000 0.601 498 A N -0.234 122.045 122.820 -0.903 0.000 2.253 498 A HA 0.713 5.035 4.320 0.004 0.000 0.316 498 A C -1.035 176.138 177.584 -0.686 0.000 1.327 498 A CA -0.375 51.297 52.037 -0.609 0.000 0.917 498 A CB 0.038 18.802 19.000 -0.393 0.000 1.162 498 A HN 0.718 nan 8.150 nan 0.000 0.535 499 W N 3.492 124.777 121.300 -0.024 0.000 2.475 499 W HA 0.505 5.167 4.660 0.004 0.000 0.320 499 W C -0.309 176.135 176.519 -0.126 0.000 1.022 499 W CA -0.689 56.637 57.345 -0.032 0.000 1.240 499 W CB 1.239 30.736 29.460 0.062 0.000 1.328 499 W HN 0.454 nan 8.180 nan 0.000 0.439 500 L N 3.614 124.725 121.223 -0.186 0.000 2.456 500 L HA 0.221 4.564 4.340 0.004 0.000 0.272 500 L C -0.319 176.553 176.870 0.004 0.000 1.189 500 L CA -0.063 54.603 54.840 -0.290 0.000 0.846 500 L CB 0.185 41.831 42.059 -0.688 0.000 1.111 500 L HN 0.335 nan 8.230 nan 0.000 0.475 501 F N 3.626 123.502 119.950 -0.125 0.000 2.553 501 F HA 0.488 5.017 4.527 0.004 0.000 0.335 501 F C -0.364 175.430 175.800 -0.011 0.000 1.148 501 F CA -0.493 57.466 58.000 -0.068 0.000 0.963 501 F CB 0.698 39.657 39.000 -0.070 0.000 1.217 501 F HN 0.572 nan 8.300 nan 0.000 0.441 502 H N 2.265 121.074 119.070 -0.435 0.000 3.037 502 H HA 0.453 5.011 4.556 0.004 0.000 0.355 502 H C -1.322 173.868 175.328 -0.229 0.000 1.263 502 H CA -1.417 54.434 56.048 -0.327 0.000 1.129 502 H CB 0.741 30.417 29.762 -0.143 0.000 1.861 502 H HN 0.718 nan 8.280 nan 0.000 0.546 503 C N 2.254 121.510 119.300 -0.074 0.000 2.653 503 C HA 0.093 4.555 4.460 0.004 0.000 0.421 503 C C 1.339 176.454 174.990 0.208 0.000 1.334 503 C CA -0.005 59.021 59.018 0.014 0.000 1.885 503 C CB -0.723 27.003 27.740 -0.022 0.000 2.645 503 C HN 1.021 nan 8.230 nan 0.000 0.601 504 H N 3.686 122.826 119.070 0.116 0.000 2.539 504 H HA 0.291 4.850 4.556 0.004 0.000 0.269 504 H C 0.553 175.890 175.328 0.016 0.000 0.980 504 H CA 0.291 56.437 56.048 0.164 0.000 1.152 504 H CB 0.074 29.905 29.762 0.114 0.000 1.407 504 H HN 0.660 nan 8.280 nan 0.000 0.564 505 I N 1.362 121.948 120.570 0.027 0.000 2.517 505 I HA -0.057 4.116 4.170 0.004 0.000 0.285 505 I C 1.683 177.590 176.117 -0.350 0.000 1.106 505 I CA -0.046 61.098 61.300 -0.260 0.000 1.402 505 I CB 1.242 38.942 38.000 -0.500 0.000 1.399 505 I HN 0.116 nan 8.210 nan 0.000 0.535 506 A N 7.160 129.617 122.820 -0.605 0.000 1.917 506 A HA -0.185 4.137 4.320 0.004 0.000 0.219 506 A C 1.855 179.297 177.584 -0.237 0.000 1.182 506 A CA 1.499 53.206 52.037 -0.549 0.000 0.633 506 A CB -0.675 17.744 19.000 -0.969 0.000 0.819 506 A HN 0.935 nan 8.150 nan 0.000 0.448 507 W N -1.302 119.975 121.300 -0.038 0.000 2.374 507 W HA -0.106 4.557 4.660 0.006 0.000 0.288 507 W C 2.237 178.895 176.519 0.232 0.000 1.218 507 W CA 0.780 58.172 57.345 0.079 0.000 1.245 507 W CB -0.458 29.055 29.460 0.088 0.000 1.126 507 W HN 0.526 nan 8.180 nan 0.000 0.545 508 H N -0.884 118.270 119.070 0.140 0.000 2.384 508 H HA -0.091 4.467 4.556 0.003 0.000 0.300 508 H C 2.399 177.706 175.328 -0.035 0.000 1.057 508 H CA 1.052 57.051 56.048 -0.083 0.000 1.370 508 H CB -0.209 29.295 29.762 -0.429 0.000 1.417 508 H HN -0.008 nan 8.280 nan 0.000 0.527 509 V N 0.260 120.233 119.914 0.098 0.000 2.548 509 V HA -0.199 3.924 4.120 0.004 0.000 0.249 509 V C 2.116 178.246 176.094 0.060 0.000 1.055 509 V CA 1.635 63.957 62.300 0.036 0.000 1.065 509 V CB -0.225 31.577 31.823 -0.034 0.000 0.681 509 V HN 0.299 nan 8.190 nan 0.000 0.462 510 S N 0.635 116.403 115.700 0.112 0.000 2.387 510 S HA -0.141 4.331 4.470 0.004 0.000 0.230 510 S C 1.754 176.450 174.600 0.160 0.000 1.035 510 S CA 1.513 59.795 58.200 0.136 0.000 1.014 510 S CB -0.678 62.650 63.200 0.214 0.000 0.836 510 S HN 0.807 nan 8.310 nan 0.000 0.466 511 G N -0.668 108.290 108.800 0.263 0.000 2.848 511 G HA2 0.372 4.335 3.960 0.004 0.000 0.208 511 G HA3 0.372 4.335 3.960 0.004 0.000 0.208 511 G C 0.838 175.901 174.900 0.271 0.000 1.152 511 G CA 0.550 45.843 45.100 0.322 0.000 0.789 511 G HN 0.786 nan 8.290 nan 0.000 0.531 512 G N -0.693 108.213 108.800 0.177 0.000 2.227 512 G HA2 -0.199 3.763 3.960 0.004 0.000 0.168 512 G HA3 -0.199 3.763 3.960 0.004 0.000 0.168 512 G C 0.329 175.277 174.900 0.080 0.000 1.006 512 G CA -0.126 45.037 45.100 0.105 0.000 0.684 512 G HN 0.413 nan 8.290 nan 0.000 0.489 513 L N 2.523 123.790 121.223 0.075 0.000 2.395 513 L HA 0.658 5.001 4.340 0.004 0.000 0.268 513 L C 0.176 177.006 176.870 -0.067 0.000 1.223 513 L CA 0.237 55.061 54.840 -0.026 0.000 1.093 513 L CB 0.404 42.335 42.059 -0.212 0.000 1.349 513 L HN 0.221 nan 8.230 nan 0.000 0.427 514 S N 1.776 117.433 115.700 -0.072 0.000 2.567 514 S HA 0.673 5.145 4.470 0.004 0.000 0.270 514 S C -0.791 173.733 174.600 -0.126 0.000 1.152 514 S CA -0.481 57.662 58.200 -0.096 0.000 0.835 514 S CB 1.681 64.823 63.200 -0.097 0.000 1.115 514 S HN 0.274 nan 8.310 nan 0.000 0.459 515 V N 0.300 120.113 119.914 -0.169 0.000 3.145 515 V HA 0.873 4.996 4.120 0.004 0.000 0.311 515 V C -1.377 174.541 176.094 -0.293 0.000 1.238 515 V CA -0.709 61.444 62.300 -0.245 0.000 1.066 515 V CB 1.911 33.520 31.823 -0.356 0.000 1.144 515 V HN 0.832 nan 8.190 nan 0.000 0.465 516 D N 0.087 120.282 120.400 -0.343 0.000 2.473 516 D HA 0.404 5.046 4.640 0.004 0.000 0.253 516 D C -1.385 174.755 176.300 -0.268 0.000 1.233 516 D CA -0.401 53.433 54.000 -0.277 0.000 0.908 516 D CB 1.012 41.663 40.800 -0.247 0.000 1.170 516 D HN 0.374 nan 8.370 nan 0.000 0.558 517 F N 3.164 123.071 119.950 -0.071 0.000 2.466 517 F HA 0.216 4.745 4.527 0.005 0.000 0.363 517 F C 0.602 176.387 175.800 -0.024 0.000 1.109 517 F CA -0.623 57.354 58.000 -0.039 0.000 1.161 517 F CB 0.680 39.695 39.000 0.025 0.000 1.117 517 F HN 0.274 nan 8.300 nan 0.000 0.539 518 L N 5.037 126.318 121.223 0.097 0.000 2.302 518 L HA 0.260 4.603 4.340 0.004 0.000 0.285 518 L C 0.062 176.997 176.870 0.109 0.000 1.090 518 L CA -0.143 54.687 54.840 -0.017 0.000 0.866 518 L CB 0.199 42.142 42.059 -0.193 0.000 1.244 518 L HN 0.558 nan 8.230 nan 0.000 0.435 519 E N 4.902 125.207 120.200 0.175 0.000 2.152 519 E HA 0.274 4.627 4.350 0.004 0.000 0.285 519 E C -0.165 176.534 176.600 0.165 0.000 1.043 519 E CA -0.458 56.095 56.400 0.254 0.000 0.839 519 E CB 0.273 30.269 29.700 0.493 0.000 1.069 519 E HN 0.533 nan 8.360 nan 0.000 0.399 520 R N 3.387 123.967 120.500 0.134 0.000 3.264 520 R HA -0.131 4.211 4.340 0.004 0.000 0.251 520 R C -1.893 174.451 176.300 0.073 0.000 0.971 520 R CA 0.322 56.482 56.100 0.099 0.000 0.658 520 R CB -1.048 29.316 30.300 0.107 0.000 1.095 520 R HN 0.594 nan 8.270 nan 0.000 0.443 521 P HA -0.209 nan 4.420 nan 0.000 0.218 521 P C 1.129 178.460 177.300 0.052 0.000 1.149 521 P CA 1.902 65.029 63.100 0.046 0.000 0.817 521 P CB 0.152 31.893 31.700 0.068 0.000 0.785 522 A N 0.005 122.859 122.820 0.058 0.000 2.121 522 A HA -0.131 4.191 4.320 0.004 0.000 0.218 522 A C 1.673 179.282 177.584 0.041 0.000 1.154 522 A CA 1.569 53.636 52.037 0.050 0.000 0.679 522 A CB -0.857 18.172 19.000 0.048 0.000 0.795 522 A HN 0.075 nan 8.150 nan 0.000 0.458 523 D N -1.296 119.130 120.400 0.044 0.000 2.366 523 D HA 0.058 4.701 4.640 0.004 0.000 0.205 523 D C 1.596 177.917 176.300 0.035 0.000 1.022 523 D CA 0.219 54.244 54.000 0.041 0.000 0.868 523 D CB 0.192 41.023 40.800 0.052 0.000 0.953 523 D HN 0.394 nan 8.370 nan 0.000 0.514 524 L N 0.646 121.885 121.223 0.027 0.000 2.127 524 L HA 0.134 4.476 4.340 0.004 0.000 0.203 524 L C 2.165 179.032 176.870 -0.006 0.000 1.080 524 L CA 1.347 56.191 54.840 0.007 0.000 0.768 524 L CB -0.228 41.819 42.059 -0.019 0.000 0.924 524 L HN -0.236 nan 8.230 nan 0.000 0.444 525 R N -0.591 119.907 120.500 -0.003 0.000 2.103 525 R HA -0.223 4.120 4.340 0.004 0.000 0.242 525 R C 2.284 178.583 176.300 -0.001 0.000 1.142 525 R CA 2.084 58.179 56.100 -0.009 0.000 0.960 525 R CB -0.231 30.070 30.300 0.002 0.000 0.858 525 R HN 0.539 nan 8.270 nan 0.000 0.439 526 Q N -0.560 119.247 119.800 0.011 0.000 2.234 526 Q HA -0.147 4.195 4.340 0.004 0.000 0.206 526 Q C 1.645 177.655 176.000 0.017 0.000 0.980 526 Q CA 1.490 57.303 55.803 0.015 0.000 0.869 526 Q CB 0.083 28.833 28.738 0.021 0.000 0.912 526 Q HN 0.294 nan 8.270 nan 0.000 0.436 527 R N -0.323 120.188 120.500 0.018 0.000 2.334 527 R HA 0.226 4.568 4.340 0.004 0.000 0.216 527 R C -0.138 176.177 176.300 0.024 0.000 0.905 527 R CA -0.085 56.031 56.100 0.026 0.000 1.064 527 R CB 0.528 30.851 30.300 0.038 0.000 1.046 527 R HN 0.155 nan 8.270 nan 0.000 0.508 528 I N 2.025 122.601 120.570 0.009 0.000 2.315 528 I HA 0.048 4.220 4.170 0.004 0.000 0.291 528 I C 0.690 176.817 176.117 0.016 0.000 1.006 528 I CA -0.407 60.896 61.300 0.005 0.000 1.265 528 I CB 1.520 39.498 38.000 -0.038 0.000 1.387 528 I HN 0.073 nan 8.210 nan 0.000 0.475 529 S N 4.250 119.971 115.700 0.035 0.000 2.593 529 S HA 0.032 4.505 4.470 0.004 0.000 0.269 529 S C 0.763 175.383 174.600 0.033 0.000 1.334 529 S CA -0.439 57.783 58.200 0.037 0.000 1.015 529 S CB 1.518 64.748 63.200 0.049 0.000 0.912 529 S HN 0.667 nan 8.310 nan 0.000 0.541 530 Q N 0.908 120.726 119.800 0.030 0.000 2.124 530 Q HA -0.119 4.224 4.340 0.004 0.000 0.202 530 Q C 1.642 177.665 176.000 0.039 0.000 0.977 530 Q CA 2.129 57.950 55.803 0.030 0.000 0.850 530 Q CB -0.446 28.308 28.738 0.025 0.000 0.901 530 Q HN 0.903 nan 8.270 nan 0.000 0.429 531 E N 0.120 120.346 120.200 0.043 0.000 2.072 531 E HA -0.139 4.214 4.350 0.004 0.000 0.191 531 E C 1.623 178.260 176.600 0.062 0.000 0.985 531 E CA 1.390 57.819 56.400 0.049 0.000 0.801 531 E CB -0.178 29.552 29.700 0.049 0.000 0.750 531 E HN 0.377 nan 8.360 nan 0.000 0.452 532 D N 0.296 120.742 120.400 0.076 0.000 2.144 532 D HA -0.162 4.480 4.640 0.004 0.000 0.200 532 D C 1.859 178.202 176.300 0.073 0.000 0.978 532 D CA 1.037 55.084 54.000 0.078 0.000 0.833 532 D CB -0.140 40.719 40.800 0.099 0.000 0.961 532 D HN 0.292 nan 8.370 nan 0.000 0.470 533 E N 0.489 120.721 120.200 0.055 0.000 2.051 533 E HA -0.183 4.169 4.350 0.004 0.000 0.192 533 E C 1.229 177.907 176.600 0.130 0.000 0.991 533 E CA 1.258 57.699 56.400 0.068 0.000 0.799 533 E CB 0.165 29.882 29.700 0.028 0.000 0.748 533 E HN 0.061 nan 8.360 nan 0.000 0.449 534 D N 0.379 120.830 120.400 0.085 0.000 2.117 534 D HA -0.151 4.492 4.640 0.004 0.000 0.197 534 D C 1.539 177.886 176.300 0.078 0.000 0.987 534 D CA 1.297 55.343 54.000 0.076 0.000 0.829 534 D CB -0.371 40.458 40.800 0.049 0.000 0.961 534 D HN 0.235 nan 8.370 nan 0.000 0.460 535 D N -0.879 119.563 120.400 0.069 0.000 2.183 535 D HA -0.109 4.534 4.640 0.004 0.000 0.203 535 D C 1.740 178.070 176.300 0.049 0.000 0.969 535 D CA 0.241 54.261 54.000 0.034 0.000 0.842 535 D CB -0.145 40.655 40.800 -0.000 0.000 0.957 535 D HN 0.094 nan 8.370 nan 0.000 0.484 536 F N 1.062 120.983 119.950 -0.049 0.000 2.095 536 F HA -0.219 4.311 4.527 0.005 0.000 0.298 536 F C 1.894 177.690 175.800 -0.007 0.000 1.104 536 F CA 1.383 59.358 58.000 -0.042 0.000 1.232 536 F CB -0.300 38.679 39.000 -0.035 0.000 0.987 536 F HN -0.081 nan 8.300 nan 0.000 0.475 537 N N 0.558 119.338 118.700 0.133 0.000 2.188 537 N HA -0.175 4.568 4.740 0.004 0.000 0.184 537 N C 2.064 177.556 175.510 -0.029 0.000 1.018 537 N CA 1.239 54.313 53.050 0.041 0.000 0.858 537 N CB -0.587 37.980 38.487 0.134 0.000 0.989 537 N HN 0.395 nan 8.380 nan 0.000 0.426 538 R N 0.959 121.456 120.500 -0.006 0.000 2.080 538 R HA -0.079 4.263 4.340 0.004 0.000 0.236 538 R C 1.757 178.042 176.300 -0.025 0.000 1.137 538 R CA 1.391 57.487 56.100 -0.007 0.000 0.943 538 R CB -0.286 30.014 30.300 0.000 0.000 0.846 538 R HN -0.015 nan 8.270 nan 0.000 0.431 539 V N 0.387 120.260 119.914 -0.068 0.000 2.358 539 V HA -0.287 3.835 4.120 0.004 0.000 0.246 539 V C 2.622 178.694 176.094 -0.037 0.000 1.047 539 V CA 1.693 63.956 62.300 -0.061 0.000 1.035 539 V CB -0.542 31.214 31.823 -0.112 0.000 0.658 539 V HN 0.533 nan 8.190 nan 0.000 0.452 540 c N 0.159 118.659 118.600 -0.168 0.000 2.425 540 c HA -0.156 4.416 4.570 0.004 0.000 0.277 540 c C 2.532 176.652 174.090 0.051 0.000 1.280 540 c CA 0.926 57.198 56.329 -0.095 0.000 1.744 540 c CB -1.045 41.277 42.510 -0.314 0.000 1.989 540 c HN 0.595 nan 8.230 nan 0.000 0.491 541 D N 0.458 120.869 120.400 0.018 0.000 2.144 541 D HA -0.098 4.545 4.640 0.004 0.000 0.200 541 D C 2.121 178.467 176.300 0.077 0.000 0.978 541 D CA 1.092 55.121 54.000 0.047 0.000 0.833 541 D CB -0.422 40.396 40.800 0.029 0.000 0.961 541 D HN 0.623 nan 8.370 nan 0.000 0.470 542 E N -0.022 120.231 120.200 0.089 0.000 2.072 542 E HA -0.137 4.215 4.350 0.004 0.000 0.191 542 E C 2.022 178.736 176.600 0.190 0.000 0.985 542 E CA 0.388 56.856 56.400 0.114 0.000 0.801 542 E CB -0.145 29.613 29.700 0.097 0.000 0.750 542 E HN 0.426 nan 8.360 nan 0.000 0.452 543 W N 2.190 123.531 121.300 0.068 0.000 2.355 543 W HA -0.163 4.500 4.660 0.004 0.000 0.309 543 W C 1.783 178.437 176.519 0.226 0.000 1.206 543 W CA 1.222 58.657 57.345 0.150 0.000 1.284 543 W CB -0.112 29.385 29.460 0.063 0.000 1.145 543 W HN -0.035 nan 8.180 nan 0.000 0.502 544 R N 0.218 120.786 120.500 0.113 0.000 2.120 544 R HA -0.125 4.218 4.340 0.004 0.000 0.234 544 R C 2.414 178.707 176.300 -0.013 0.000 1.123 544 R CA 1.444 57.563 56.100 0.032 0.000 0.975 544 R CB -0.665 29.695 30.300 0.100 0.000 0.866 544 R HN 0.166 nan 8.270 nan 0.000 0.446 545 A N 0.147 122.973 122.820 0.010 0.000 1.968 545 A HA -0.173 4.150 4.320 0.004 0.000 0.217 545 A C 1.891 179.446 177.584 -0.049 0.000 1.169 545 A CA 0.784 52.818 52.037 -0.006 0.000 0.638 545 A CB -0.469 18.546 19.000 0.025 0.000 0.812 545 A HN 0.436 nan 8.150 nan 0.000 0.446 546 Y N -1.093 119.112 120.300 -0.158 0.000 2.184 546 Y HA -0.200 4.353 4.550 0.004 0.000 0.290 546 Y C 2.282 178.019 175.900 -0.273 0.000 1.129 546 Y CA 1.613 59.587 58.100 -0.211 0.000 1.144 546 Y CB -0.565 37.763 38.460 -0.220 0.000 0.995 546 Y HN 0.520 nan 8.280 nan 0.000 0.513 547 W N 2.549 123.361 121.300 -0.813 0.000 2.325 547 W HA -0.168 4.497 4.660 0.009 0.000 0.299 547 W C -1.032 175.169 176.519 -0.531 0.000 1.215 547 W CA 1.587 58.453 57.345 -0.798 0.000 1.244 547 W CB -1.297 27.784 29.460 -0.633 0.000 1.140 547 W HN 0.214 nan 8.180 nan 0.000 0.523 548 P HA -0.125 nan 4.420 nan 0.000 0.225 548 P C 1.491 178.470 177.300 -0.535 0.000 1.148 548 P CA 2.470 65.289 63.100 -0.469 0.000 0.779 548 P CB -0.496 31.067 31.700 -0.227 0.000 0.780 549 T N -5.643 108.525 114.554 -0.643 0.000 3.081 549 T HA 0.074 4.427 4.350 0.004 0.000 0.250 549 T C 0.761 175.075 174.700 -0.643 0.000 1.100 549 T CA -0.330 61.439 62.100 -0.552 0.000 1.038 549 T CB -0.988 67.617 68.868 -0.439 0.000 0.962 549 T HN -0.085 nan 8.240 nan 0.000 0.516 550 N N 3.135 121.291 118.700 -0.907 0.000 2.492 550 N HA 0.207 4.949 4.740 0.004 0.000 0.262 550 N C -1.300 173.899 175.510 -0.519 0.000 1.202 550 N CA -1.558 51.095 53.050 -0.661 0.000 0.926 550 N CB 1.154 39.199 38.487 -0.737 0.000 1.078 550 N HN 0.040 nan 8.380 nan 0.000 0.454 551 P HA 0.038 nan 4.420 nan 0.000 0.245 551 P C -0.967 176.060 177.300 -0.454 0.000 1.206 551 P CA 0.719 63.516 63.100 -0.504 0.000 0.781 551 P CB 0.170 31.465 31.700 -0.675 0.000 0.994 552 Y N 1.383 121.660 120.300 -0.038 0.000 2.429 552 Y HA 0.469 5.019 4.550 -0.001 0.000 0.342 552 Y C -1.904 174.061 175.900 0.108 0.000 1.004 552 Y CA -3.589 54.551 58.100 0.067 0.000 1.075 552 Y CB 0.549 39.113 38.460 0.174 0.000 1.214 552 Y HN -0.146 nan 8.280 nan 0.000 0.455 553 P HA 0.177 nan 4.420 nan 0.000 0.276 553 P C -1.084 176.507 177.300 0.486 0.000 1.252 553 P CA -0.797 62.513 63.100 0.351 0.000 0.802 553 P CB 1.386 33.224 31.700 0.230 0.000 1.035 554 K N 1.833 122.534 120.400 0.502 0.000 2.297 554 K HA 0.232 4.555 4.320 0.004 0.000 0.286 554 K C 0.886 177.571 176.600 0.142 0.000 1.053 554 K CA -0.374 56.085 56.287 0.285 0.000 0.940 554 K CB -0.081 32.382 32.500 -0.063 0.000 1.019 554 K HN 0.500 nan 8.250 nan 0.000 0.475 555 I N 0.143 120.793 120.570 0.133 0.000 4.082 555 I HA 0.235 4.408 4.170 0.004 0.000 0.337 555 I C -0.381 175.775 176.117 0.065 0.000 1.352 555 I CA -0.488 60.878 61.300 0.110 0.000 1.097 555 I CB 0.137 38.230 38.000 0.157 0.000 1.048 555 I HN 0.535 nan 8.210 nan 0.000 0.393 556 D N 0.313 120.723 120.400 0.016 0.000 2.989 556 D HA 0.190 4.833 4.640 0.004 0.000 0.284 556 D C 1.028 177.272 176.300 -0.093 0.000 1.212 556 D CA 0.322 54.324 54.000 0.004 0.000 1.055 556 D CB 0.385 41.227 40.800 0.070 0.000 1.351 556 D HN -0.061 nan 8.370 nan 0.000 0.611 557 S N -1.977 113.679 115.700 -0.073 0.000 2.453 557 S HA 0.269 4.741 4.470 0.004 0.000 0.231 557 S C 1.832 176.273 174.600 -0.265 0.000 1.005 557 S CA 1.158 59.273 58.200 -0.140 0.000 0.949 557 S CB -0.660 62.495 63.200 -0.075 0.000 0.774 557 S HN 1.609 nan 8.310 nan 0.000 0.510 558 G N 0.323 108.979 108.800 -0.239 0.000 2.195 558 G HA2 -0.172 3.790 3.960 0.004 0.000 0.224 558 G HA3 -0.172 3.790 3.960 0.004 0.000 0.224 558 G C -0.064 174.915 174.900 0.131 0.000 0.990 558 G CA 0.210 45.175 45.100 -0.224 0.000 0.639 558 G HN 0.515 nan 8.290 nan 0.000 0.514 559 L N 0.000 121.249 121.223 0.043 0.000 2.949 559 L HA 0.000 4.342 4.340 0.004 0.000 0.249 559 L CA 0.000 54.905 54.840 0.109 0.000 0.813 559 L CB 0.000 42.009 42.059 -0.084 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502