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 3gdp_1_B DATA FIRST_RESID 1 DATA SEQUENCE LATTSDHDFS YLSFAYDATD LELEGSYDYV IVGGGTSGCP LAATLSEKYK DATA SEQUENCE VLVLERGSLP TAYPNVLTAD GFVYNLQQED DGKTPVERFV SEDGIDNVRG DATA SEQUENCE RVLGGTSIIN AGVYARANTS IYSASGVDWD MDLVNQTYEW VEDTIVYKPN DATA SEQUENCE SQSWQSVTKT AFLEAGVHPN HGFSLDHEEG TRITGSTFDN KGTRHAADEL DATA SEQUENCE LNKGNSNNLR VGVHASVEKI IFSNAPGLTA TGVIYRDSNG TPHQAFVRSK DATA SEQUENCE GEVIVSAGTI GTPQLLLLSG VGPESYLSSL NIPVVLSHPY VGQFLHDNPR DATA SEQUENCE NFINILPPNP IEPTIVTVLG ISNDFYQCSF SSLPFTTPPF GFFPSSSYPL DATA SEQUENCE PNSTFAHFAS KVAGPLSYGS LTLKSSSNVR VSPNVKFNYY SNLTDLSHcV DATA SEQUENCE SGMKKIGELL STDALKPYKV EDLPGVEGFN ILGIPLPKDQ TDDAAFETFc DATA SEQUENCE RESVASYWHY HGGCLVGKVL DGDFRVTGIN ALRVVDGSTF PYTPASHPQG DATA SEQUENCE FYLMLGRYVG IKILQERSAS D 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.710 176.870 -0.266 0.000 1.165 1 L CA 0.000 54.715 54.840 -0.208 0.000 0.813 1 L CB 0.000 41.990 42.059 -0.116 0.000 0.961 2 A N 0.209 122.744 122.820 -0.475 0.000 2.248 2 A HA 0.921 5.241 4.320 0.000 0.000 0.316 2 A C -0.398 177.069 177.584 -0.195 0.000 1.101 2 A CA -0.356 51.415 52.037 -0.444 0.000 0.875 2 A CB 1.192 19.743 19.000 -0.749 0.000 1.207 2 A HN 0.585 nan 8.150 nan 0.000 0.504 3 T N 1.198 115.748 114.554 -0.007 0.000 2.807 3 T HA 0.451 4.801 4.350 0.000 0.000 0.279 3 T C -0.053 174.770 174.700 0.204 0.000 0.993 3 T CA -0.130 62.035 62.100 0.110 0.000 0.970 3 T CB 1.024 69.905 68.868 0.023 0.000 0.950 3 T HN 0.658 nan 8.240 nan 0.000 0.441 4 T N 3.979 118.618 114.554 0.142 0.000 2.867 4 T HA 0.277 4.627 4.350 0.000 0.000 0.290 4 T C 0.482 175.194 174.700 0.020 0.000 1.025 4 T CA 0.282 62.367 62.100 -0.025 0.000 1.146 4 T CB -0.212 68.624 68.868 -0.053 0.000 1.024 4 T HN 0.869 nan 8.240 nan 0.000 0.519 5 S N 1.817 117.546 115.700 0.048 0.000 2.636 5 S HA 0.429 4.899 4.470 0.000 0.000 0.266 5 S C -1.709 172.993 174.600 0.171 0.000 1.147 5 S CA -1.297 56.954 58.200 0.086 0.000 0.815 5 S CB 1.193 64.430 63.200 0.062 0.000 1.119 5 S HN 0.465 nan 8.310 nan 0.000 0.470 6 D N 1.024 121.492 120.400 0.112 0.000 2.368 6 D HA 0.229 4.869 4.640 0.000 0.000 0.240 6 D C 0.085 176.454 176.300 0.115 0.000 1.169 6 D CA 0.364 54.421 54.000 0.096 0.000 0.906 6 D CB 0.010 40.854 40.800 0.074 0.000 1.187 6 D HN 0.721 nan 8.370 nan 0.000 0.435 7 H N 0.688 119.687 119.070 -0.120 0.000 3.004 7 H HA -0.029 4.527 4.556 0.000 0.000 0.316 7 H C -0.314 174.829 175.328 -0.309 0.000 1.014 7 H CA 0.198 56.064 56.048 -0.302 0.000 1.454 7 H CB 0.427 29.898 29.762 -0.485 0.000 1.472 7 H HN 0.042 nan 8.280 nan 0.000 0.571 8 D N 5.000 125.146 120.400 -0.423 0.000 2.374 8 D HA -0.021 4.619 4.640 0.000 0.000 0.240 8 D C -0.429 175.682 176.300 -0.315 0.000 1.229 8 D CA 0.017 53.867 54.000 -0.251 0.000 0.895 8 D CB -0.309 40.403 40.800 -0.147 0.000 1.046 8 D HN 0.546 nan 8.370 nan 0.000 0.498 9 F N 1.751 121.636 119.950 -0.108 0.000 2.730 9 F HA 0.086 4.613 4.527 0.000 0.000 0.295 9 F C 2.163 177.654 175.800 -0.515 0.000 1.143 9 F CA -0.403 57.346 58.000 -0.420 0.000 1.367 9 F CB 0.389 39.197 39.000 -0.320 0.000 0.970 9 F HN 0.241 nan 8.300 nan 0.000 0.514 10 S N -0.273 115.335 115.700 -0.153 0.000 2.400 10 S HA -0.262 4.208 4.470 0.000 0.000 0.232 10 S C 1.845 176.296 174.600 -0.248 0.000 1.025 10 S CA 1.424 59.548 58.200 -0.127 0.000 0.993 10 S CB -0.515 62.673 63.200 -0.020 0.000 0.808 10 S HN 0.725 nan 8.310 nan 0.000 0.478 11 Y N 1.107 121.256 120.300 -0.251 0.000 2.569 11 Y HA 0.137 4.687 4.550 0.000 0.000 0.293 11 Y C 1.458 176.817 175.900 -0.902 0.000 1.144 11 Y CA 0.172 57.795 58.100 -0.795 0.000 1.321 11 Y CB -1.004 37.174 38.460 -0.470 0.000 0.982 11 Y HN 0.120 nan 8.280 nan 0.000 0.558 12 L N 0.821 121.610 121.223 -0.722 0.000 2.353 12 L HA -0.198 4.142 4.340 0.000 0.000 0.220 12 L C 2.633 179.264 176.870 -0.400 0.000 1.133 12 L CA 1.424 55.974 54.840 -0.483 0.000 0.798 12 L CB -0.742 41.065 42.059 -0.419 0.000 0.922 12 L HN 0.546 nan 8.230 nan 0.000 0.445 13 S N 0.792 116.260 115.700 -0.387 0.000 2.419 13 S HA -0.185 4.285 4.470 0.000 0.000 0.233 13 S C 1.237 175.763 174.600 -0.124 0.000 1.016 13 S CA 0.961 59.039 58.200 -0.203 0.000 0.974 13 S CB -0.515 62.649 63.200 -0.060 0.000 0.786 13 S HN 0.567 nan 8.310 nan 0.000 0.492 14 F N 0.302 120.237 119.950 -0.025 0.000 2.805 14 F HA 0.841 5.369 4.527 0.000 0.000 0.317 14 F C 0.126 175.935 175.800 0.016 0.000 1.146 14 F CA -1.670 56.358 58.000 0.046 0.000 1.265 14 F CB -0.293 38.828 39.000 0.202 0.000 0.992 14 F HN 0.255 nan 8.300 nan 0.000 0.511 15 A N 0.749 123.448 122.820 -0.201 0.000 2.292 15 A HA 0.761 5.081 4.320 0.000 0.000 0.319 15 A C -1.585 175.813 177.584 -0.310 0.000 1.206 15 A CA -0.381 51.629 52.037 -0.045 0.000 0.835 15 A CB 0.492 19.495 19.000 0.005 0.000 1.164 15 A HN 0.383 nan 8.150 nan 0.000 0.505 16 Y N 0.250 120.602 120.300 0.086 0.000 2.545 16 Y HA 0.378 4.928 4.550 0.000 0.000 0.348 16 Y C 0.066 175.993 175.900 0.044 0.000 1.002 16 Y CA -1.093 57.048 58.100 0.070 0.000 1.039 16 Y CB 1.503 40.022 38.460 0.098 0.000 1.271 16 Y HN 0.711 nan 8.280 nan 0.000 0.467 17 D N 0.888 121.419 120.400 0.218 0.000 2.302 17 D HA 0.232 4.872 4.640 0.000 0.000 0.248 17 D C 0.887 177.296 176.300 0.181 0.000 1.094 17 D CA 0.366 54.470 54.000 0.174 0.000 0.897 17 D CB 2.032 42.954 40.800 0.203 0.000 1.200 17 D HN 0.802 nan 8.370 nan 0.000 0.429 18 A N 2.884 125.788 122.820 0.139 0.000 2.032 18 A HA -0.218 4.102 4.320 0.000 0.000 0.221 18 A C 2.028 179.667 177.584 0.091 0.000 1.165 18 A CA 2.431 54.514 52.037 0.078 0.000 0.645 18 A CB -0.901 18.133 19.000 0.056 0.000 0.807 18 A HN 0.768 nan 8.150 nan 0.000 0.453 19 T N -3.000 111.652 114.554 0.164 0.000 2.962 19 T HA -0.082 4.269 4.350 0.000 0.000 0.270 19 T C 0.904 175.740 174.700 0.227 0.000 1.088 19 T CA 1.389 63.619 62.100 0.216 0.000 1.127 19 T CB -0.225 68.740 68.868 0.162 0.000 0.883 19 T HN 0.424 nan 8.240 nan 0.000 0.493 20 D N 0.550 121.075 120.400 0.208 0.000 2.349 20 D HA 0.304 4.944 4.640 0.000 0.000 0.214 20 D C 0.444 176.845 176.300 0.167 0.000 1.063 20 D CA -0.041 54.077 54.000 0.196 0.000 0.847 20 D CB 0.338 41.277 40.800 0.231 0.000 0.933 20 D HN 0.428 nan 8.370 nan 0.000 0.513 21 L N 1.931 123.274 121.223 0.199 0.000 2.421 21 L HA 0.123 4.463 4.340 0.000 0.000 0.263 21 L C 1.079 178.115 176.870 0.278 0.000 1.122 21 L CA -0.878 54.071 54.840 0.182 0.000 0.804 21 L CB 0.929 43.121 42.059 0.222 0.000 1.150 21 L HN -0.029 nan 8.230 nan 0.000 0.457 22 E N 2.653 122.982 120.200 0.215 0.000 2.418 22 E HA -0.024 4.326 4.350 0.000 0.000 0.261 22 E C 0.574 177.310 176.600 0.226 0.000 1.070 22 E CA -0.092 56.413 56.400 0.174 0.000 0.931 22 E CB 0.861 30.634 29.700 0.120 0.000 0.954 22 E HN 0.563 nan 8.360 nan 0.000 0.439 23 L N 0.136 121.382 121.223 0.038 0.000 2.201 23 L HA -0.018 4.322 4.340 0.000 0.000 0.212 23 L C 1.282 178.158 176.870 0.009 0.000 1.105 23 L CA 1.144 55.901 54.840 -0.138 0.000 0.775 23 L CB -0.196 41.748 42.059 -0.191 0.000 0.913 23 L HN 0.658 nan 8.230 nan 0.000 0.440 24 E N -0.265 119.993 120.200 0.098 0.000 2.302 24 E HA 0.467 4.817 4.350 0.000 0.000 0.263 24 E C -0.793 175.931 176.600 0.206 0.000 0.897 24 E CA -0.351 56.164 56.400 0.191 0.000 0.809 24 E CB 1.642 31.434 29.700 0.153 0.000 1.270 24 E HN 0.064 nan 8.360 nan 0.000 0.410 25 G N 1.356 110.342 108.800 0.311 0.000 2.569 25 G HA2 0.523 4.483 3.960 0.000 0.000 0.300 25 G HA3 0.523 4.483 3.960 0.000 0.000 0.300 25 G C -1.297 173.745 174.900 0.236 0.000 1.269 25 G CA -0.593 44.645 45.100 0.230 0.000 0.959 25 G HN 0.318 nan 8.290 nan 0.000 0.478 26 S N -0.477 115.152 115.700 -0.118 0.000 2.532 26 S HA 0.816 5.287 4.470 0.000 0.000 0.299 26 S C -1.487 172.869 174.600 -0.407 0.000 1.105 26 S CA -0.586 57.571 58.200 -0.071 0.000 1.018 26 S CB 0.577 63.730 63.200 -0.077 0.000 1.021 26 S HN 0.439 nan 8.310 nan 0.000 0.483 27 Y N 1.213 121.547 120.300 0.056 0.000 2.677 27 Y HA 0.432 4.982 4.550 0.000 0.000 0.334 27 Y C 0.941 176.821 175.900 -0.033 0.000 1.154 27 Y CA -0.986 57.132 58.100 0.030 0.000 1.070 27 Y CB 0.886 39.371 38.460 0.041 0.000 1.294 27 Y HN 0.498 nan 8.280 nan 0.000 0.475 28 D N -0.352 120.127 120.400 0.132 0.000 2.162 28 D HA -0.015 4.625 4.640 0.000 0.000 0.205 28 D C -0.716 175.279 176.300 -0.509 0.000 0.964 28 D CA 1.700 55.595 54.000 -0.174 0.000 0.847 28 D CB 0.311 41.087 40.800 -0.041 0.000 0.988 28 D HN 0.344 nan 8.370 nan 0.000 0.480 29 Y N -0.515 119.823 120.300 0.063 0.000 2.457 29 Y HA 0.409 4.959 4.550 0.000 0.000 0.343 29 Y C -0.426 175.455 175.900 -0.032 0.000 0.994 29 Y CA -0.928 57.171 58.100 -0.002 0.000 1.031 29 Y CB 2.372 40.815 38.460 -0.029 0.000 1.246 29 Y HN -0.418 nan 8.280 nan 0.000 0.449 30 V N 4.994 124.948 119.914 0.067 0.000 2.444 30 V HA 0.441 4.562 4.120 0.000 0.000 0.294 30 V C -0.834 175.238 176.094 -0.037 0.000 1.022 30 V CA -0.651 61.615 62.300 -0.057 0.000 0.850 30 V CB 1.371 33.141 31.823 -0.087 0.000 0.992 30 V HN 0.483 nan 8.190 nan 0.000 0.426 31 I N 5.410 125.937 120.570 -0.071 0.000 2.339 31 I HA 0.381 4.551 4.170 0.000 0.000 0.290 31 I C 0.018 176.085 176.117 -0.083 0.000 0.994 31 I CA -0.324 60.941 61.300 -0.058 0.000 1.191 31 I CB 1.876 39.844 38.000 -0.053 0.000 1.343 31 I HN 0.275 nan 8.210 nan 0.000 0.458 32 V N 6.059 125.934 119.914 -0.065 0.000 2.368 32 V HA 0.743 4.863 4.120 0.000 0.000 0.266 32 V C 0.563 176.630 176.094 -0.046 0.000 1.045 32 V CA -0.299 61.962 62.300 -0.064 0.000 0.899 32 V CB 0.339 32.134 31.823 -0.047 0.000 1.006 32 V HN 1.030 nan 8.190 nan 0.000 0.470 33 G N 3.675 112.447 108.800 -0.048 0.000 3.380 33 G HA2 0.058 4.018 3.960 0.000 0.000 0.685 33 G HA3 0.058 4.018 3.960 0.000 0.000 0.685 33 G C 0.123 175.009 174.900 -0.024 0.000 1.136 33 G CA -0.551 44.534 45.100 -0.026 0.000 1.011 33 G HN 1.282 nan 8.290 nan 0.000 0.471 34 G N 1.105 109.893 108.800 -0.020 0.000 3.636 34 G HA2 0.662 4.623 3.960 0.000 0.000 0.260 34 G HA3 0.662 4.623 3.960 0.000 0.000 0.260 34 G C 0.873 175.775 174.900 0.003 0.000 1.014 34 G CA 0.849 45.939 45.100 -0.017 0.000 1.797 34 G HN 1.219 nan 8.290 nan 0.000 0.637 35 G N 0.119 108.927 108.800 0.013 0.000 2.782 35 G HA2 0.377 4.338 3.960 0.000 0.000 0.201 35 G HA3 0.377 4.338 3.960 0.000 0.000 0.201 35 G C 1.194 176.122 174.900 0.047 0.000 1.374 35 G CA 0.394 45.516 45.100 0.036 0.000 1.039 35 G HN 0.148 nan 8.290 nan 0.000 0.576 36 T N 0.577 115.174 114.554 0.072 0.000 2.635 36 T HA -0.139 4.211 4.350 0.000 0.000 0.267 36 T C 2.682 177.434 174.700 0.088 0.000 1.040 36 T CA 2.139 64.299 62.100 0.102 0.000 1.156 36 T CB -0.340 68.620 68.868 0.154 0.000 0.863 36 T HN 0.263 nan 8.240 nan 0.000 0.430 37 S N 0.444 116.176 115.700 0.053 0.000 2.406 37 S HA 0.137 4.607 4.470 0.000 0.000 0.224 37 S C 2.469 177.063 174.600 -0.011 0.000 1.030 37 S CA 0.678 58.886 58.200 0.013 0.000 0.958 37 S CB -0.645 62.534 63.200 -0.036 0.000 0.811 37 S HN 0.611 nan 8.310 nan 0.000 0.489 38 G N 0.883 109.676 108.800 -0.012 0.000 2.440 38 G HA2 -0.253 3.708 3.960 0.000 0.000 0.218 38 G HA3 -0.253 3.708 3.960 0.000 0.000 0.218 38 G C 1.582 176.474 174.900 -0.013 0.000 1.154 38 G CA 1.295 46.382 45.100 -0.023 0.000 0.767 38 G HN 0.548 nan 8.290 nan 0.000 0.552 39 C N 1.397 120.701 119.300 0.007 0.000 2.436 39 C HA 0.002 4.462 4.460 0.000 0.000 0.277 39 C C 0.858 175.883 174.990 0.059 0.000 1.241 39 C CA 1.488 60.515 59.018 0.016 0.000 1.721 39 C CB -0.845 26.898 27.740 0.004 0.000 2.043 39 C HN 0.416 nan 8.230 nan 0.000 0.472 40 P HA -0.089 nan 4.420 nan 0.000 0.218 40 P C 1.629 178.932 177.300 0.005 0.000 1.149 40 P CA 1.237 64.435 63.100 0.164 0.000 0.817 40 P CB -0.221 31.602 31.700 0.205 0.000 0.785 41 L N 0.545 121.740 121.223 -0.046 0.000 1.994 41 L HA -0.046 4.294 4.340 0.000 0.000 0.208 41 L C 2.543 179.352 176.870 -0.102 0.000 1.071 41 L CA 2.213 56.985 54.840 -0.112 0.000 0.745 41 L CB -1.649 40.341 42.059 -0.115 0.000 0.892 41 L HN -0.088 nan 8.230 nan 0.000 0.431 42 A N -0.226 122.561 122.820 -0.056 0.000 1.883 42 A HA -0.154 4.166 4.320 0.000 0.000 0.217 42 A C 2.474 180.044 177.584 -0.024 0.000 1.186 42 A CA 2.210 54.221 52.037 -0.044 0.000 0.624 42 A CB -1.363 17.622 19.000 -0.025 0.000 0.822 42 A HN 0.632 nan 8.150 nan 0.000 0.444 43 A N -1.143 121.695 122.820 0.029 0.000 1.908 43 A HA -0.107 4.213 4.320 0.000 0.000 0.218 43 A C 2.326 179.940 177.584 0.050 0.000 1.181 43 A CA 2.409 54.496 52.037 0.083 0.000 0.627 43 A CB -1.336 17.800 19.000 0.225 0.000 0.818 43 A HN 0.449 nan 8.150 nan 0.000 0.445 44 T N 0.522 115.061 114.554 -0.025 0.000 2.674 44 T HA -0.100 4.250 4.350 0.000 0.000 0.265 44 T C 1.817 176.453 174.700 -0.107 0.000 1.039 44 T CA 1.545 63.572 62.100 -0.122 0.000 1.150 44 T CB -0.424 68.282 68.868 -0.269 0.000 0.864 44 T HN 0.368 nan 8.240 nan 0.000 0.427 45 L N 1.672 122.814 121.223 -0.135 0.000 2.131 45 L HA -0.100 4.240 4.340 0.000 0.000 0.210 45 L C 2.793 179.665 176.870 0.003 0.000 1.092 45 L CA 1.366 56.124 54.840 -0.137 0.000 0.759 45 L CB -0.739 41.126 42.059 -0.322 0.000 0.903 45 L HN 0.381 nan 8.230 nan 0.000 0.435 46 S N -0.951 114.746 115.700 -0.004 0.000 2.547 46 S HA -0.160 4.311 4.470 0.000 0.000 0.235 46 S C 1.549 176.143 174.600 -0.011 0.000 0.980 46 S CA 0.768 58.974 58.200 0.010 0.000 0.941 46 S CB -0.312 62.863 63.200 -0.041 0.000 0.763 46 S HN 0.478 nan 8.310 nan 0.000 0.532 47 E N 1.044 121.233 120.200 -0.019 0.000 2.204 47 E HA -0.059 4.291 4.350 0.000 0.000 0.195 47 E C 1.801 178.349 176.600 -0.086 0.000 0.990 47 E CA 1.010 57.390 56.400 -0.033 0.000 0.821 47 E CB 0.035 29.718 29.700 -0.029 0.000 0.750 47 E HN 0.642 nan 8.360 nan 0.000 0.477 48 K N -1.617 118.700 120.400 -0.138 0.000 2.511 48 K HA 0.149 4.469 4.320 0.000 0.000 0.209 48 K C -0.246 176.032 176.600 -0.536 0.000 1.301 48 K CA 0.009 56.075 56.287 -0.368 0.000 0.967 48 K CB 0.948 33.127 32.500 -0.535 0.000 1.109 48 K HN -0.045 nan 8.250 nan 0.000 0.561 49 Y N 1.036 121.377 120.300 0.068 0.000 2.630 49 Y HA 0.329 4.879 4.550 0.000 0.000 0.337 49 Y C -0.061 175.914 175.900 0.125 0.000 1.051 49 Y CA -1.379 56.799 58.100 0.129 0.000 1.121 49 Y CB 0.941 39.571 38.460 0.282 0.000 1.299 49 Y HN -0.420 nan 8.280 nan 0.000 0.498 50 K N 1.958 122.560 120.400 0.337 0.000 2.316 50 K HA 0.394 4.714 4.320 0.000 0.000 0.289 50 K C -1.054 175.749 176.600 0.340 0.000 1.070 50 K CA -0.158 56.289 56.287 0.268 0.000 0.928 50 K CB 0.784 33.411 32.500 0.212 0.000 1.039 50 K HN 0.374 nan 8.250 nan 0.000 0.480 51 V N 4.089 124.150 119.914 0.245 0.000 2.680 51 V HA 0.422 4.542 4.120 0.000 0.000 0.309 51 V C -0.693 175.377 176.094 -0.040 0.000 1.052 51 V CA -1.155 61.230 62.300 0.141 0.000 0.908 51 V CB 1.978 33.848 31.823 0.079 0.000 1.001 51 V HN 0.541 nan 8.190 nan 0.000 0.431 52 L N 5.281 126.337 121.223 -0.277 0.000 2.356 52 L HA 0.764 5.104 4.340 0.000 0.000 0.277 52 L C -0.795 175.903 176.870 -0.286 0.000 0.996 52 L CA -0.097 54.443 54.840 -0.501 0.000 0.822 52 L CB 1.912 43.230 42.059 -1.235 0.000 1.256 52 L HN 0.439 nan 8.230 nan 0.000 0.413 53 V N 6.385 126.187 119.914 -0.187 0.000 2.417 53 V HA 0.485 4.606 4.120 0.000 0.000 0.291 53 V C -0.196 175.794 176.094 -0.173 0.000 1.024 53 V CA -0.499 61.720 62.300 -0.135 0.000 0.861 53 V CB 1.574 33.363 31.823 -0.058 0.000 0.985 53 V HN 0.606 nan 8.190 nan 0.000 0.436 54 L N 4.310 125.414 121.223 -0.198 0.000 2.319 54 L HA 0.642 4.982 4.340 0.000 0.000 0.281 54 L C -0.418 176.368 176.870 -0.140 0.000 1.005 54 L CA -0.387 54.304 54.840 -0.249 0.000 0.828 54 L CB 1.723 43.554 42.059 -0.380 0.000 1.227 54 L HN 0.630 nan 8.230 nan 0.000 0.415 55 E N 2.662 122.801 120.200 -0.102 0.000 2.176 55 E HA 0.297 4.647 4.350 0.000 0.000 0.267 55 E C 0.690 177.281 176.600 -0.014 0.000 0.893 55 E CA -0.732 55.642 56.400 -0.044 0.000 0.761 55 E CB 1.318 31.002 29.700 -0.026 0.000 1.133 55 E HN 0.514 nan 8.360 nan 0.000 0.409 56 R N 2.684 123.195 120.500 0.017 0.000 2.148 56 R HA 0.151 4.491 4.340 0.000 0.000 0.227 56 R C 0.944 177.312 176.300 0.113 0.000 1.103 56 R CA 0.873 57.010 56.100 0.061 0.000 0.983 56 R CB -0.206 30.126 30.300 0.053 0.000 0.874 56 R HN 0.340 nan 8.270 nan 0.000 0.451 57 G N 0.474 109.326 108.800 0.086 0.000 2.563 57 G HA2 0.340 4.300 3.960 0.000 0.000 0.283 57 G HA3 0.340 4.300 3.960 0.000 0.000 0.283 57 G C -0.784 174.166 174.900 0.083 0.000 1.309 57 G CA -0.721 44.453 45.100 0.123 0.000 1.022 57 G HN 0.211 nan 8.290 nan 0.000 0.501 58 S N -1.502 114.284 115.700 0.142 0.000 2.686 58 S HA 0.435 4.905 4.470 0.000 0.000 0.270 58 S C 0.324 174.943 174.600 0.031 0.000 1.194 58 S CA -0.537 57.677 58.200 0.024 0.000 0.990 58 S CB 0.812 64.243 63.200 0.385 0.000 1.029 58 S HN 0.382 nan 8.310 nan 0.000 0.560 59 L N 1.762 122.984 121.223 -0.003 0.000 2.436 59 L HA 0.219 4.559 4.340 0.000 0.000 0.265 59 L C -1.587 175.361 176.870 0.131 0.000 1.168 59 L CA -1.645 53.235 54.840 0.067 0.000 0.815 59 L CB 0.223 42.274 42.059 -0.014 0.000 1.109 59 L HN 0.437 nan 8.230 nan 0.000 0.462 60 P HA -0.161 nan 4.420 nan 0.000 0.218 60 P C 1.444 178.803 177.300 0.099 0.000 1.148 60 P CA 1.294 64.522 63.100 0.215 0.000 0.822 60 P CB -0.009 31.885 31.700 0.324 0.000 0.784 61 T N -3.107 111.382 114.554 -0.107 0.000 2.977 61 T HA -0.092 4.258 4.350 0.000 0.000 0.271 61 T C 1.799 176.400 174.700 -0.164 0.000 1.105 61 T CA 1.126 63.074 62.100 -0.254 0.000 1.116 61 T CB -1.025 67.542 68.868 -0.502 0.000 0.878 61 T HN 0.024 nan 8.240 nan 0.000 0.509 62 A N 0.207 122.956 122.820 -0.117 0.000 2.066 62 A HA 0.228 4.548 4.320 0.000 0.000 0.218 62 A C 0.364 177.594 177.584 -0.591 0.000 1.157 62 A CA 0.284 52.144 52.037 -0.296 0.000 0.670 62 A CB -0.443 18.424 19.000 -0.223 0.000 0.804 62 A HN 0.681 nan 8.150 nan 0.000 0.453 63 Y N -1.656 118.653 120.300 0.014 0.000 2.628 63 Y HA 0.336 4.887 4.550 0.000 0.000 0.354 63 Y C -2.107 173.806 175.900 0.021 0.000 1.061 63 Y CA -2.146 55.977 58.100 0.038 0.000 1.251 63 Y CB 1.020 39.523 38.460 0.071 0.000 1.098 63 Y HN 0.092 nan 8.280 nan 0.000 0.626 64 P HA -0.219 nan 4.420 nan 0.000 0.217 64 P C 1.017 178.331 177.300 0.023 0.000 1.148 64 P CA 1.575 64.682 63.100 0.012 0.000 0.834 64 P CB 0.371 32.044 31.700 -0.046 0.000 0.783 65 N N -0.704 118.014 118.700 0.030 0.000 2.550 65 N HA -0.058 4.682 4.740 0.000 0.000 0.186 65 N C 1.290 176.872 175.510 0.121 0.000 1.110 65 N CA 0.910 53.969 53.050 0.015 0.000 0.912 65 N CB -0.137 38.300 38.487 -0.083 0.000 0.968 65 N HN 0.204 nan 8.380 nan 0.000 0.448 66 V N -2.233 117.767 119.914 0.143 0.000 3.649 66 V HA 0.161 4.281 4.120 0.000 0.000 0.275 66 V C 1.446 177.615 176.094 0.126 0.000 1.281 66 V CA 0.565 62.958 62.300 0.155 0.000 1.143 66 V CB -0.537 31.372 31.823 0.143 0.000 0.892 66 V HN 0.079 nan 8.190 nan 0.000 0.441 67 L N 1.733 123.005 121.223 0.081 0.000 2.607 67 L HA 0.335 4.676 4.340 0.000 0.000 0.228 67 L C 0.877 177.790 176.870 0.073 0.000 1.123 67 L CA 0.691 55.548 54.840 0.029 0.000 0.890 67 L CB -0.032 42.021 42.059 -0.011 0.000 1.103 67 L HN 0.645 nan 8.230 nan 0.000 0.468 68 T N -5.734 108.890 114.554 0.117 0.000 2.896 68 T HA 0.593 4.943 4.350 0.000 0.000 0.297 68 T C 0.740 175.467 174.700 0.045 0.000 1.108 68 T CA -0.133 62.013 62.100 0.076 0.000 1.004 68 T CB 2.421 71.291 68.868 0.004 0.000 1.159 68 T HN -0.099 nan 8.240 nan 0.000 0.499 69 A N 0.904 123.577 122.820 -0.244 0.000 1.930 69 A HA 0.018 4.338 4.320 0.000 0.000 0.217 69 A C 1.609 179.062 177.584 -0.219 0.000 1.175 69 A CA 1.502 53.112 52.037 -0.711 0.000 0.627 69 A CB -0.884 17.518 19.000 -0.995 0.000 0.815 69 A HN 0.865 nan 8.150 nan 0.000 0.443 70 D N -0.226 120.116 120.400 -0.098 0.000 2.378 70 D HA 0.046 4.686 4.640 0.000 0.000 0.227 70 D C 1.513 177.853 176.300 0.067 0.000 1.012 70 D CA 0.969 54.971 54.000 0.004 0.000 0.905 70 D CB -0.362 40.430 40.800 -0.013 0.000 0.895 70 D HN 0.461 nan 8.370 nan 0.000 0.532 71 G N -0.327 108.523 108.800 0.083 0.000 3.088 71 G HA2 -0.102 3.858 3.960 0.000 0.000 0.217 71 G HA3 -0.102 3.858 3.960 0.000 0.000 0.217 71 G C 1.093 176.121 174.900 0.213 0.000 1.159 71 G CA -0.387 44.786 45.100 0.121 0.000 0.760 71 G HN 0.136 nan 8.290 nan 0.000 0.550 72 F N 1.839 121.839 119.950 0.082 0.000 2.043 72 F HA -0.192 4.335 4.527 0.000 0.000 0.297 72 F C 2.472 178.287 175.800 0.026 0.000 1.121 72 F CA 1.815 59.864 58.000 0.081 0.000 1.199 72 F CB -0.479 38.572 39.000 0.084 0.000 0.968 72 F HN 0.008 nan 8.300 nan 0.000 0.478 73 V N -0.365 119.438 119.914 -0.184 0.000 2.407 73 V HA -0.309 3.811 4.120 0.000 0.000 0.248 73 V C 2.129 178.055 176.094 -0.281 0.000 1.055 73 V CA 2.035 64.095 62.300 -0.401 0.000 1.049 73 V CB -1.250 30.461 31.823 -0.187 0.000 0.662 73 V HN 0.580 nan 8.190 nan 0.000 0.455 74 Y N 2.035 122.228 120.300 -0.179 0.000 2.114 74 Y HA -0.346 4.204 4.550 0.000 0.000 0.282 74 Y C 2.326 178.140 175.900 -0.143 0.000 1.165 74 Y CA 2.426 60.451 58.100 -0.124 0.000 1.148 74 Y CB -0.588 37.845 38.460 -0.045 0.000 0.972 74 Y HN 0.406 nan 8.280 nan 0.000 0.504 75 N N -0.020 118.669 118.700 -0.018 0.000 2.104 75 N HA -0.216 4.524 4.740 0.000 0.000 0.190 75 N C 1.724 177.080 175.510 -0.256 0.000 1.024 75 N CA 1.581 54.569 53.050 -0.105 0.000 0.853 75 N CB -0.340 38.130 38.487 -0.029 0.000 1.008 75 N HN 0.350 nan 8.380 nan 0.000 0.424 76 L N 0.691 121.705 121.223 -0.348 0.000 2.141 76 L HA -0.134 4.206 4.340 0.000 0.000 0.209 76 L C 2.093 178.800 176.870 -0.271 0.000 1.094 76 L CA 1.043 55.682 54.840 -0.336 0.000 0.763 76 L CB -0.296 41.472 42.059 -0.485 0.000 0.908 76 L HN 0.253 nan 8.230 nan 0.000 0.437 77 Q N -0.452 119.141 119.800 -0.345 0.000 2.245 77 Q HA -0.101 4.239 4.340 0.000 0.000 0.201 77 Q C 0.951 176.772 176.000 -0.299 0.000 0.955 77 Q CA 0.214 55.834 55.803 -0.305 0.000 0.870 77 Q CB 0.134 28.671 28.738 -0.335 0.000 0.945 77 Q HN 0.431 nan 8.270 nan 0.000 0.461 78 Q N 1.650 121.216 119.800 -0.390 0.000 2.300 78 Q HA -0.041 4.299 4.340 0.000 0.000 0.280 78 Q C -0.687 175.188 176.000 -0.207 0.000 1.033 78 Q CA -0.158 55.447 55.803 -0.331 0.000 0.903 78 Q CB 0.655 29.183 28.738 -0.349 0.000 1.195 78 Q HN -0.058 nan 8.270 nan 0.000 0.386 79 E N 2.415 122.521 120.200 -0.156 0.000 2.442 79 E HA -0.080 4.270 4.350 0.000 0.000 0.262 79 E C -1.035 175.489 176.600 -0.125 0.000 1.004 79 E CA 0.284 56.607 56.400 -0.130 0.000 0.928 79 E CB 0.549 30.197 29.700 -0.087 0.000 0.937 79 E HN 0.424 nan 8.360 nan 0.000 0.446 80 D N 2.751 123.063 120.400 -0.147 0.000 2.393 80 D HA 0.008 4.648 4.640 0.000 0.000 0.232 80 D C -0.442 175.809 176.300 -0.081 0.000 1.192 80 D CA -0.325 53.598 54.000 -0.128 0.000 0.882 80 D CB 0.400 41.100 40.800 -0.167 0.000 1.038 80 D HN 0.410 nan 8.370 nan 0.000 0.499 81 D N 2.194 122.565 120.400 -0.050 0.000 2.368 81 D HA 0.171 4.811 4.640 0.000 0.000 0.218 81 D C 1.419 177.712 176.300 -0.011 0.000 1.112 81 D CA 0.128 54.115 54.000 -0.022 0.000 0.834 81 D CB 0.037 40.840 40.800 0.004 0.000 0.953 81 D HN 0.523 nan 8.370 nan 0.000 0.505 82 G N 0.551 109.339 108.800 -0.021 0.000 2.199 82 G HA2 -0.307 3.653 3.960 0.000 0.000 0.254 82 G HA3 -0.307 3.653 3.960 0.000 0.000 0.254 82 G C 1.154 176.059 174.900 0.008 0.000 0.982 82 G CA 0.397 45.492 45.100 -0.007 0.000 0.632 82 G HN 0.343 nan 8.290 nan 0.000 0.529 83 K N 0.445 120.855 120.400 0.017 0.000 2.474 83 K HA 0.168 4.488 4.320 0.000 0.000 0.204 83 K C 1.358 177.960 176.600 0.003 0.000 1.220 83 K CA 1.002 57.326 56.287 0.061 0.000 0.966 83 K CB 0.216 32.784 32.500 0.113 0.000 1.049 83 K HN 0.672 nan 8.250 nan 0.000 0.554 84 T N 1.352 115.839 114.554 -0.111 0.000 2.903 84 T HA 0.061 4.411 4.350 0.000 0.000 0.314 84 T C -1.522 172.932 174.700 -0.410 0.000 1.078 84 T CA -0.975 60.871 62.100 -0.424 0.000 1.114 84 T CB 0.785 69.495 68.868 -0.264 0.000 0.987 84 T HN -0.089 nan 8.240 nan 0.000 0.548 85 P HA 0.013 nan 4.420 nan 0.000 0.225 85 P C 0.033 177.251 177.300 -0.136 0.000 1.148 85 P CA 0.381 63.310 63.100 -0.285 0.000 0.779 85 P CB 0.076 31.615 31.700 -0.268 0.000 0.780 86 V N 1.412 121.235 119.914 -0.152 0.000 2.313 86 V HA 0.230 4.350 4.120 0.000 0.000 0.278 86 V C 0.271 176.331 176.094 -0.056 0.000 1.017 86 V CA -0.816 61.434 62.300 -0.082 0.000 0.823 86 V CB 1.236 32.989 31.823 -0.116 0.000 1.010 86 V HN 0.004 nan 8.190 nan 0.000 0.443 87 E N 5.808 126.021 120.200 0.022 0.000 2.167 87 E HA 0.411 4.761 4.350 0.000 0.000 0.284 87 E C -0.209 176.467 176.600 0.127 0.000 1.016 87 E CA -0.693 55.737 56.400 0.051 0.000 0.817 87 E CB 0.824 30.577 29.700 0.087 0.000 1.080 87 E HN 0.571 nan 8.360 nan 0.000 0.397 88 R N 3.659 124.168 120.500 0.014 0.000 2.410 88 R HA 0.437 4.778 4.340 0.000 0.000 0.288 88 R C -0.547 175.876 176.300 0.204 0.000 1.051 88 R CA -0.365 55.723 56.100 -0.020 0.000 1.021 88 R CB 0.658 30.575 30.300 -0.638 0.000 1.032 88 R HN 0.482 nan 8.270 nan 0.000 0.481 89 F N -1.906 118.162 119.950 0.197 0.000 2.668 89 F HA 0.606 5.133 4.527 0.000 0.000 0.309 89 F C -1.650 174.321 175.800 0.285 0.000 1.117 89 F CA -1.273 56.827 58.000 0.167 0.000 0.951 89 F CB 1.155 40.209 39.000 0.092 0.000 1.323 89 F HN 0.099 nan 8.300 nan 0.000 0.451 90 V N 2.378 122.513 119.914 0.368 0.000 2.531 90 V HA 0.549 4.670 4.120 0.000 0.000 0.301 90 V C -0.035 176.234 176.094 0.292 0.000 1.034 90 V CA -0.475 61.972 62.300 0.244 0.000 0.865 90 V CB 1.357 33.313 31.823 0.222 0.000 0.995 90 V HN 1.111 nan 8.190 nan 0.000 0.424 91 S N 2.532 118.399 115.700 0.278 0.000 2.589 91 S HA 0.136 4.606 4.470 0.000 0.000 0.265 91 S C 0.993 175.669 174.600 0.128 0.000 1.342 91 S CA 0.190 58.520 58.200 0.217 0.000 1.005 91 S CB 0.865 64.242 63.200 0.296 0.000 0.909 91 S HN 0.871 nan 8.310 nan 0.000 0.555 92 E N 0.306 120.526 120.200 0.034 0.000 2.338 92 E HA -0.164 4.186 4.350 0.000 0.000 0.197 92 E C 0.482 177.122 176.600 0.067 0.000 1.007 92 E CA 1.286 57.703 56.400 0.029 0.000 0.849 92 E CB -0.343 29.340 29.700 -0.028 0.000 0.774 92 E HN 0.836 nan 8.360 nan 0.000 0.506 93 D N -1.034 119.439 120.400 0.123 0.000 2.317 93 D HA 0.050 4.690 4.640 0.000 0.000 0.211 93 D C 1.110 177.506 176.300 0.161 0.000 0.966 93 D CA 0.897 55.006 54.000 0.182 0.000 0.876 93 D CB 0.343 41.367 40.800 0.373 0.000 0.927 93 D HN 0.302 nan 8.370 nan 0.000 0.519 94 G N 0.112 109.001 108.800 0.148 0.000 2.134 94 G HA2 -0.193 3.767 3.960 0.000 0.000 0.209 94 G HA3 -0.193 3.767 3.960 0.000 0.000 0.209 94 G C -0.127 174.833 174.900 0.100 0.000 0.993 94 G CA -0.566 44.602 45.100 0.113 0.000 0.669 94 G HN 0.178 nan 8.290 nan 0.000 0.519 95 I N 1.805 122.458 120.570 0.138 0.000 2.321 95 I HA 0.331 4.501 4.170 0.000 0.000 0.291 95 I C -0.054 176.083 176.117 0.034 0.000 0.998 95 I CA -1.296 60.046 61.300 0.070 0.000 1.227 95 I CB 1.004 39.044 38.000 0.066 0.000 1.368 95 I HN -0.039 nan 8.210 nan 0.000 0.466 96 D N 5.590 125.935 120.400 -0.091 0.000 2.423 96 D HA 0.195 4.835 4.640 0.000 0.000 0.238 96 D C 0.187 176.338 176.300 -0.248 0.000 1.142 96 D CA 0.617 54.460 54.000 -0.261 0.000 0.884 96 D CB 0.982 41.318 40.800 -0.773 0.000 1.199 96 D HN 0.423 nan 8.370 nan 0.000 0.438 97 N N -0.430 118.088 118.700 -0.303 0.000 3.020 97 N HA 0.539 5.279 4.740 0.000 0.000 0.248 97 N C -1.704 173.605 175.510 -0.336 0.000 1.480 97 N CA -0.542 52.285 53.050 -0.372 0.000 0.874 97 N CB 1.879 39.849 38.487 -0.861 0.000 1.433 97 N HN 0.150 nan 8.380 nan 0.000 0.530 98 V N -1.461 118.420 119.914 -0.055 0.000 3.147 98 V HA 0.876 4.996 4.120 0.000 0.000 0.306 98 V C -1.209 175.185 176.094 0.501 0.000 1.209 98 V CA -0.919 61.503 62.300 0.203 0.000 1.023 98 V CB 2.232 34.100 31.823 0.074 0.000 1.059 98 V HN 0.917 nan 8.190 nan 0.000 0.435 99 R N 1.327 122.104 120.500 0.462 0.000 2.740 99 R HA 0.835 5.175 4.340 0.000 0.000 0.273 99 R C 0.002 176.439 176.300 0.228 0.000 0.998 99 R CA -0.301 56.061 56.100 0.438 0.000 0.900 99 R CB 1.750 32.322 30.300 0.454 0.000 1.223 99 R HN 1.381 nan 8.270 nan 0.000 0.466 100 G N 0.848 109.760 108.800 0.187 0.000 2.527 100 G HA2 0.318 4.278 3.960 0.000 0.000 0.248 100 G HA3 0.318 4.278 3.960 0.000 0.000 0.248 100 G C -0.621 174.330 174.900 0.084 0.000 1.231 100 G CA -0.750 44.416 45.100 0.109 0.000 0.838 100 G HN 0.605 nan 8.290 nan 0.000 0.570 101 R N 0.524 121.051 120.500 0.045 0.000 2.837 101 R HA 0.461 4.801 4.340 0.000 0.000 0.245 101 R C -1.540 174.777 176.300 0.027 0.000 1.712 101 R CA -0.300 55.822 56.100 0.036 0.000 1.539 101 R CB 1.011 31.324 30.300 0.021 0.000 1.490 101 R HN 0.595 nan 8.270 nan 0.000 0.667 102 V N 2.430 122.372 119.914 0.048 0.000 3.234 102 V HA 0.329 4.449 4.120 0.000 0.000 0.280 102 V C -1.724 174.410 176.094 0.068 0.000 1.580 102 V CA -1.060 61.278 62.300 0.064 0.000 1.032 102 V CB 2.006 33.868 31.823 0.065 0.000 1.203 102 V HN 0.456 nan 8.190 nan 0.000 0.459 103 L N 5.100 126.369 121.223 0.076 0.000 2.462 103 L HA 0.674 5.014 4.340 0.000 0.000 0.272 103 L C 1.172 178.092 176.870 0.083 0.000 1.166 103 L CA 2.244 57.122 54.840 0.064 0.000 0.880 103 L CB 0.604 42.711 42.059 0.079 0.000 1.142 103 L HN 1.545 nan 8.230 nan 0.000 0.473 104 G N 2.093 110.924 108.800 0.051 0.000 2.218 104 G HA2 0.040 4.000 3.960 0.000 0.000 0.216 104 G HA3 0.040 4.000 3.960 0.000 0.000 0.216 104 G C 1.036 175.980 174.900 0.074 0.000 0.994 104 G CA 0.159 45.299 45.100 0.066 0.000 0.637 104 G HN 1.822 nan 8.290 nan 0.000 0.505 105 G N -0.682 108.160 108.800 0.070 0.000 2.564 105 G HA2 -0.101 3.859 3.960 0.000 0.000 0.273 105 G HA3 -0.101 3.859 3.960 0.000 0.000 0.273 105 G C 0.949 175.905 174.900 0.093 0.000 1.242 105 G CA 1.199 46.346 45.100 0.078 0.000 0.951 105 G HN 1.333 nan 8.290 nan 0.000 0.564 106 T N 1.144 115.764 114.554 0.111 0.000 3.072 106 T HA 0.080 4.430 4.350 0.000 0.000 0.266 106 T C 2.644 177.412 174.700 0.114 0.000 1.127 106 T CA 2.122 64.295 62.100 0.123 0.000 1.107 106 T CB -0.370 68.591 68.868 0.154 0.000 0.910 106 T HN 1.432 nan 8.240 nan 0.000 0.513 107 S N 0.974 116.738 115.700 0.107 0.000 2.515 107 S HA 0.066 4.536 4.470 0.000 0.000 0.231 107 S C 1.768 176.412 174.600 0.073 0.000 0.987 107 S CA 0.162 58.416 58.200 0.090 0.000 0.936 107 S CB -0.396 62.862 63.200 0.097 0.000 0.766 107 S HN 0.337 nan 8.310 nan 0.000 0.528 108 I N 1.736 122.360 120.570 0.091 0.000 3.419 108 I HA 0.223 4.393 4.170 0.000 0.000 0.286 108 I C 1.646 177.831 176.117 0.114 0.000 1.268 108 I CA 0.669 62.028 61.300 0.098 0.000 1.414 108 I CB -0.298 37.766 38.000 0.105 0.000 1.074 108 I HN 0.564 nan 8.210 nan 0.000 0.457 109 I N -1.832 118.810 120.570 0.120 0.000 4.225 109 I HA 0.212 4.382 4.170 0.000 0.000 0.327 109 I C 0.493 176.756 176.117 0.243 0.000 1.422 109 I CA -0.542 60.852 61.300 0.158 0.000 1.150 109 I CB -0.122 37.922 38.000 0.073 0.000 1.192 109 I HN -0.004 nan 8.210 nan 0.000 0.440 110 N N 2.503 121.311 118.700 0.180 0.000 2.366 110 N HA 0.282 5.022 4.740 0.000 0.000 0.277 110 N C 0.944 176.484 175.510 0.050 0.000 1.275 110 N CA 0.138 53.294 53.050 0.176 0.000 0.964 110 N CB 0.449 39.014 38.487 0.129 0.000 1.167 110 N HN 0.076 nan 8.380 nan 0.000 0.568 111 A N -2.281 120.487 122.820 -0.086 0.000 2.259 111 A HA 0.400 4.720 4.320 0.000 0.000 0.208 111 A C 1.513 179.103 177.584 0.009 0.000 1.201 111 A CA 0.427 52.267 52.037 -0.327 0.000 0.824 111 A CB -1.518 17.319 19.000 -0.272 0.000 0.838 111 A HN 1.354 nan 8.150 nan 0.000 0.485 112 G N -1.225 107.491 108.800 -0.140 0.000 2.220 112 G HA2 -0.274 3.686 3.960 0.000 0.000 0.269 112 G HA3 -0.274 3.686 3.960 0.000 0.000 0.269 112 G C 0.388 175.272 174.900 -0.027 0.000 0.977 112 G CA 0.366 45.289 45.100 -0.294 0.000 0.634 112 G HN 0.864 nan 8.290 nan 0.000 0.539 113 V N 0.681 120.604 119.914 0.014 0.000 2.540 113 V HA 0.367 4.487 4.120 0.000 0.000 0.297 113 V C 0.205 176.301 176.094 0.003 0.000 1.024 113 V CA 0.240 62.501 62.300 -0.064 0.000 1.105 113 V CB 0.725 32.274 31.823 -0.456 0.000 0.938 113 V HN 0.361 nan 8.190 nan 0.000 0.482 114 Y N 4.248 124.500 120.300 -0.080 0.000 2.341 114 Y HA 0.711 5.261 4.550 0.000 0.000 0.338 114 Y C -0.036 175.806 175.900 -0.097 0.000 0.965 114 Y CA -0.402 57.661 58.100 -0.062 0.000 1.108 114 Y CB 1.452 39.892 38.460 -0.033 0.000 1.180 114 Y HN 0.774 nan 8.280 nan 0.000 0.458 115 A N 6.466 128.877 122.820 -0.682 0.000 2.549 115 A HA 0.703 5.023 4.320 0.000 0.000 0.297 115 A C -1.261 175.884 177.584 -0.732 0.000 1.061 115 A CA -1.078 50.646 52.037 -0.522 0.000 0.690 115 A CB 1.504 20.341 19.000 -0.272 0.000 1.287 115 A HN 0.855 nan 8.150 nan 0.000 0.402 116 R N 0.592 120.742 120.500 -0.584 0.000 2.531 116 R HA 0.586 4.926 4.340 0.000 0.000 0.273 116 R C 0.515 176.575 176.300 -0.399 0.000 1.070 116 R CA 0.022 55.711 56.100 -0.685 0.000 1.112 116 R CB 1.303 31.115 30.300 -0.814 0.000 1.049 116 R HN 0.908 nan 8.270 nan 0.000 0.508 117 A N 2.037 124.721 122.820 -0.228 0.000 2.425 117 A HA -0.013 4.307 4.320 0.000 0.000 0.242 117 A C 0.228 177.634 177.584 -0.296 0.000 1.077 117 A CA -0.395 51.444 52.037 -0.330 0.000 0.781 117 A CB 0.146 18.898 19.000 -0.412 0.000 1.020 117 A HN 0.747 nan 8.150 nan 0.000 0.494 118 N N 1.019 119.461 118.700 -0.429 0.000 2.374 118 N HA -0.070 4.670 4.740 0.000 0.000 0.269 118 N C 1.455 176.846 175.510 -0.198 0.000 1.310 118 N CA 0.990 53.881 53.050 -0.264 0.000 0.877 118 N CB 0.556 38.838 38.487 -0.341 0.000 1.096 118 N HN 0.717 nan 8.380 nan 0.000 0.484 119 T N 0.140 114.669 114.554 -0.041 0.000 3.077 119 T HA -0.060 4.291 4.350 0.000 0.000 0.269 119 T C 1.226 175.980 174.700 0.089 0.000 1.146 119 T CA 0.956 63.121 62.100 0.107 0.000 1.091 119 T CB -0.079 68.809 68.868 0.034 0.000 0.892 119 T HN 0.347 nan 8.240 nan 0.000 0.533 120 S N 1.048 116.723 115.700 -0.041 0.000 2.556 120 S HA 0.250 4.720 4.470 0.000 0.000 0.216 120 S C 1.477 176.008 174.600 -0.115 0.000 0.970 120 S CA -0.020 58.151 58.200 -0.048 0.000 0.912 120 S CB -0.177 62.987 63.200 -0.060 0.000 0.790 120 S HN 0.758 nan 8.310 nan 0.000 0.504 121 I N -2.108 118.293 120.570 -0.281 0.000 3.578 121 I HA 0.221 4.392 4.170 0.000 0.000 0.295 121 I C 1.363 177.221 176.117 -0.431 0.000 1.280 121 I CA 0.471 61.530 61.300 -0.402 0.000 1.347 121 I CB -1.023 36.616 38.000 -0.602 0.000 1.051 121 I HN 0.029 nan 8.210 nan 0.000 0.460 122 Y N 1.113 121.239 120.300 -0.289 0.000 2.242 122 Y HA -0.081 4.469 4.550 0.000 0.000 0.291 122 Y C 2.766 178.704 175.900 0.063 0.000 1.137 122 Y CA 1.580 59.516 58.100 -0.274 0.000 1.181 122 Y CB -0.676 37.523 38.460 -0.434 0.000 0.989 122 Y HN 0.157 nan 8.280 nan 0.000 0.527 123 S N -0.268 115.534 115.700 0.170 0.000 2.382 123 S HA -0.140 4.330 4.470 0.000 0.000 0.228 123 S C 1.941 176.605 174.600 0.106 0.000 1.027 123 S CA 1.109 59.396 58.200 0.145 0.000 0.991 123 S CB -0.426 62.825 63.200 0.086 0.000 0.823 123 S HN 0.462 nan 8.310 nan 0.000 0.469 124 A N 1.074 123.927 122.820 0.055 0.000 2.379 124 A HA 0.277 4.597 4.320 0.000 0.000 0.236 124 A C 1.869 179.484 177.584 0.051 0.000 1.272 124 A CA 0.507 52.569 52.037 0.043 0.000 0.886 124 A CB -0.352 18.659 19.000 0.018 0.000 0.962 124 A HN 0.477 nan 8.150 nan 0.000 0.504 125 S N -1.584 114.170 115.700 0.090 0.000 2.461 125 S HA 0.307 4.777 4.470 0.000 0.000 0.228 125 S C 1.546 176.282 174.600 0.226 0.000 1.005 125 S CA 1.162 59.436 58.200 0.124 0.000 0.942 125 S CB -0.253 63.041 63.200 0.157 0.000 0.776 125 S HN 1.773 nan 8.310 nan 0.000 0.514 126 G N -0.192 108.696 108.800 0.145 0.000 2.159 126 G HA2 -0.173 3.787 3.960 0.000 0.000 0.227 126 G HA3 -0.173 3.787 3.960 0.000 0.000 0.227 126 G C -0.096 174.805 174.900 0.002 0.000 0.986 126 G CA -0.060 45.078 45.100 0.064 0.000 0.651 126 G HN 0.774 nan 8.290 nan 0.000 0.523 127 V N 0.902 120.831 119.914 0.025 0.000 2.656 127 V HA 0.522 4.642 4.120 0.000 0.000 0.307 127 V C -1.002 174.971 176.094 -0.201 0.000 1.051 127 V CA -1.051 61.118 62.300 -0.219 0.000 0.893 127 V CB 2.017 33.529 31.823 -0.518 0.000 0.999 127 V HN 0.176 nan 8.190 nan 0.000 0.426 128 D N 3.822 124.116 120.400 -0.176 0.000 2.411 128 D HA 0.244 4.884 4.640 0.000 0.000 0.225 128 D C -0.602 175.681 176.300 -0.029 0.000 1.156 128 D CA -0.015 53.972 54.000 -0.022 0.000 0.874 128 D CB 0.692 41.494 40.800 0.003 0.000 1.034 128 D HN 0.403 nan 8.370 nan 0.000 0.502 129 W N 1.172 122.541 121.300 0.115 0.000 2.272 129 W HA 0.134 4.794 4.660 0.000 0.000 0.318 129 W C 1.025 177.596 176.519 0.087 0.000 1.255 129 W CA -0.709 56.698 57.345 0.102 0.000 1.200 129 W CB 0.650 30.093 29.460 -0.029 0.000 1.170 129 W HN 0.181 nan 8.180 nan 0.000 0.549 130 D N 4.001 124.661 120.400 0.433 0.000 2.468 130 D HA 0.038 4.678 4.640 0.000 0.000 0.218 130 D C 1.036 177.472 176.300 0.226 0.000 1.155 130 D CA -0.056 54.100 54.000 0.261 0.000 0.924 130 D CB 0.706 41.634 40.800 0.213 0.000 1.029 130 D HN 0.200 nan 8.370 nan 0.000 0.515 131 M N 1.877 121.528 119.600 0.086 0.000 2.279 131 M HA -0.122 4.358 4.480 0.000 0.000 0.264 131 M C 1.094 177.389 176.300 -0.007 0.000 1.062 131 M CA 0.977 56.251 55.300 -0.044 0.000 1.099 131 M CB -0.455 32.079 32.600 -0.111 0.000 1.394 131 M HN 0.364 nan 8.290 nan 0.000 0.426 132 D N 0.119 120.535 120.400 0.028 0.000 2.117 132 D HA -0.118 4.522 4.640 0.000 0.000 0.198 132 D C 2.073 178.396 176.300 0.039 0.000 0.982 132 D CA 0.900 54.915 54.000 0.025 0.000 0.828 132 D CB -0.197 40.615 40.800 0.021 0.000 0.967 132 D HN 0.249 nan 8.370 nan 0.000 0.464 133 L N 0.857 122.123 121.223 0.071 0.000 2.056 133 L HA -0.109 4.231 4.340 0.000 0.000 0.207 133 L C 2.257 179.195 176.870 0.113 0.000 1.078 133 L CA 1.186 56.070 54.840 0.073 0.000 0.749 133 L CB -0.519 41.576 42.059 0.060 0.000 0.901 133 L HN -0.171 nan 8.230 nan 0.000 0.433 134 V N 0.524 120.525 119.914 0.144 0.000 2.252 134 V HA -0.342 3.778 4.120 0.000 0.000 0.249 134 V C 2.411 178.441 176.094 -0.106 0.000 1.056 134 V CA 2.158 64.428 62.300 -0.049 0.000 1.022 134 V CB -0.886 30.788 31.823 -0.247 0.000 0.641 134 V HN 0.527 nan 8.190 nan 0.000 0.445 135 N N -0.283 118.436 118.700 0.032 0.000 2.188 135 N HA -0.159 4.581 4.740 0.000 0.000 0.184 135 N C 1.909 177.500 175.510 0.136 0.000 1.018 135 N CA 1.198 54.343 53.050 0.159 0.000 0.858 135 N CB -0.356 38.196 38.487 0.108 0.000 0.989 135 N HN 0.581 nan 8.380 nan 0.000 0.426 136 Q N -0.318 119.526 119.800 0.074 0.000 2.124 136 Q HA -0.060 4.280 4.340 0.000 0.000 0.202 136 Q C 1.644 177.699 176.000 0.092 0.000 0.977 136 Q CA 1.600 57.446 55.803 0.072 0.000 0.850 136 Q CB -0.102 28.653 28.738 0.028 0.000 0.901 136 Q HN 0.368 nan 8.270 nan 0.000 0.429 137 T N -0.236 114.333 114.554 0.026 0.000 2.777 137 T HA -0.134 4.216 4.350 0.000 0.000 0.266 137 T C 1.389 176.177 174.700 0.147 0.000 1.040 137 T CA 1.023 63.119 62.100 -0.007 0.000 1.141 137 T CB -0.398 68.397 68.868 -0.121 0.000 0.868 137 T HN 0.351 nan 8.240 nan 0.000 0.444 138 Y N 1.617 121.995 120.300 0.130 0.000 2.165 138 Y HA -0.184 4.366 4.550 0.000 0.000 0.286 138 Y C 2.677 178.666 175.900 0.147 0.000 1.155 138 Y CA 1.077 59.271 58.100 0.156 0.000 1.164 138 Y CB -0.155 38.377 38.460 0.119 0.000 0.978 138 Y HN 0.317 nan 8.280 nan 0.000 0.513 139 E N -1.005 119.368 120.200 0.288 0.000 2.077 139 E HA -0.287 4.063 4.350 0.000 0.000 0.193 139 E C 1.772 178.482 176.600 0.183 0.000 0.989 139 E CA 1.413 57.918 56.400 0.176 0.000 0.800 139 E CB -0.453 29.329 29.700 0.136 0.000 0.746 139 E HN 0.580 nan 8.360 nan 0.000 0.452 140 W N 0.885 122.196 121.300 0.018 0.000 2.338 140 W HA -0.245 4.415 4.660 0.000 0.000 0.304 140 W C 1.984 178.488 176.519 -0.025 0.000 1.212 140 W CA 1.422 58.762 57.345 -0.009 0.000 1.264 140 W CB -0.188 29.269 29.460 -0.006 0.000 1.142 140 W HN -0.163 nan 8.180 nan 0.000 0.512 141 V N 0.718 120.850 119.914 0.364 0.000 2.323 141 V HA -0.280 3.840 4.120 0.000 0.000 0.244 141 V C 2.042 178.076 176.094 -0.099 0.000 1.041 141 V CA 2.395 64.789 62.300 0.157 0.000 1.025 141 V CB -0.987 31.019 31.823 0.305 0.000 0.656 141 V HN 0.158 nan 8.190 nan 0.000 0.451 142 E N 0.085 120.227 120.200 -0.097 0.000 2.118 142 E HA -0.238 4.113 4.350 0.000 0.000 0.195 142 E C 1.799 178.210 176.600 -0.315 0.000 0.992 142 E CA 1.441 57.667 56.400 -0.291 0.000 0.804 142 E CB -0.199 29.378 29.700 -0.205 0.000 0.741 142 E HN 0.556 nan 8.360 nan 0.000 0.458 143 D N -0.488 119.779 120.400 -0.221 0.000 2.350 143 D HA -0.058 4.582 4.640 0.000 0.000 0.216 143 D C 1.319 177.429 176.300 -0.317 0.000 0.968 143 D CA 0.919 54.775 54.000 -0.240 0.000 0.894 143 D CB 0.106 40.807 40.800 -0.165 0.000 0.909 143 D HN 0.150 nan 8.370 nan 0.000 0.520 144 T N -0.191 114.145 114.554 -0.364 0.000 3.056 144 T HA 0.146 4.496 4.350 0.000 0.000 0.241 144 T C 1.732 176.202 174.700 -0.383 0.000 1.006 144 T CA 0.060 61.938 62.100 -0.370 0.000 1.115 144 T CB 0.651 69.266 68.868 -0.421 0.000 0.939 144 T HN 0.268 nan 8.240 nan 0.000 0.462 145 I N -1.294 119.034 120.570 -0.404 0.000 4.219 145 I HA 0.511 4.682 4.170 0.000 0.000 0.329 145 I C -0.869 174.968 176.117 -0.467 0.000 1.427 145 I CA -0.522 60.579 61.300 -0.331 0.000 1.151 145 I CB 0.811 38.760 38.000 -0.085 0.000 1.369 145 I HN -0.185 nan 8.210 nan 0.000 0.521 146 V N 1.650 121.084 119.914 -0.801 0.000 2.555 146 V HA 0.528 4.648 4.120 0.000 0.000 0.302 146 V C -1.002 174.554 176.094 -0.898 0.000 1.038 146 V CA -0.382 61.491 62.300 -0.711 0.000 0.887 146 V CB 1.448 32.783 31.823 -0.812 0.000 0.991 146 V HN 0.167 nan 8.190 nan 0.000 0.434 147 Y N 1.657 121.899 120.300 -0.097 0.000 2.499 147 Y HA 0.512 5.062 4.550 0.000 0.000 0.347 147 Y C 0.115 176.018 175.900 0.004 0.000 0.987 147 Y CA -1.242 56.828 58.100 -0.050 0.000 1.044 147 Y CB 1.666 40.104 38.460 -0.036 0.000 1.245 147 Y HN 0.507 nan 8.280 nan 0.000 0.461 148 K N 5.337 125.765 120.400 0.047 0.000 2.316 148 K HA 0.280 4.600 4.320 0.000 0.000 0.289 148 K C -2.549 173.990 176.600 -0.102 0.000 1.070 148 K CA -1.673 54.472 56.287 -0.237 0.000 0.928 148 K CB 0.429 32.580 32.500 -0.581 0.000 1.039 148 K HN 0.382 nan 8.250 nan 0.000 0.480 149 P HA 0.008 nan 4.420 nan 0.000 0.272 149 P C -0.969 176.318 177.300 -0.022 0.000 1.240 149 P CA -0.127 62.990 63.100 0.029 0.000 0.791 149 P CB 0.640 32.401 31.700 0.103 0.000 0.978 150 N N -0.546 118.158 118.700 0.007 0.000 2.444 150 N HA 0.156 4.896 4.740 0.000 0.000 0.255 150 N C 0.324 175.841 175.510 0.012 0.000 1.255 150 N CA -0.406 52.643 53.050 -0.002 0.000 0.933 150 N CB 0.301 38.791 38.487 0.006 0.000 1.143 150 N HN 0.445 nan 8.380 nan 0.000 0.453 151 S N 0.506 116.211 115.700 0.008 0.000 2.565 151 S HA 0.163 4.633 4.470 0.000 0.000 0.276 151 S C -0.566 174.055 174.600 0.036 0.000 1.326 151 S CA -0.572 57.642 58.200 0.023 0.000 1.045 151 S CB 0.806 64.017 63.200 0.018 0.000 0.918 151 S HN 0.474 nan 8.310 nan 0.000 0.505 152 Q N 1.509 121.339 119.800 0.050 0.000 2.304 152 Q HA 0.376 4.717 4.340 0.000 0.000 0.270 152 Q C 0.589 176.633 176.000 0.073 0.000 1.035 152 Q CA -0.667 55.175 55.803 0.064 0.000 0.781 152 Q CB 1.931 30.716 28.738 0.079 0.000 1.261 152 Q HN 0.763 nan 8.270 nan 0.000 0.444 153 S N 2.735 118.488 115.700 0.088 0.000 2.369 153 S HA -0.194 4.276 4.470 0.000 0.000 0.225 153 S C 1.147 175.814 174.600 0.112 0.000 1.043 153 S CA 1.627 59.890 58.200 0.104 0.000 1.074 153 S CB -0.069 63.212 63.200 0.136 0.000 0.962 153 S HN 0.858 nan 8.310 nan 0.000 0.433 154 W N 1.392 122.675 121.300 -0.028 0.000 2.363 154 W HA -0.116 4.544 4.660 0.000 0.000 0.296 154 W C 2.115 178.604 176.519 -0.050 0.000 1.212 154 W CA 1.332 58.629 57.345 -0.080 0.000 1.260 154 W CB -0.333 29.039 29.460 -0.146 0.000 1.131 154 W HN 0.431 nan 8.180 nan 0.000 0.530 155 Q N 0.076 119.855 119.800 -0.035 0.000 2.119 155 Q HA -0.129 4.211 4.340 0.000 0.000 0.201 155 Q C 2.233 178.169 176.000 -0.106 0.000 0.972 155 Q CA 1.704 57.466 55.803 -0.069 0.000 0.847 155 Q CB -0.872 27.905 28.738 0.065 0.000 0.903 155 Q HN 0.196 nan 8.270 nan 0.000 0.433 156 S N 0.343 116.001 115.700 -0.069 0.000 2.383 156 S HA -0.076 4.394 4.470 0.000 0.000 0.227 156 S C 2.171 176.703 174.600 -0.113 0.000 1.026 156 S CA 0.882 59.056 58.200 -0.044 0.000 0.981 156 S CB -0.107 63.092 63.200 -0.001 0.000 0.818 156 S HN 0.133 nan 8.310 nan 0.000 0.472 157 V N 1.719 121.487 119.914 -0.243 0.000 2.343 157 V HA -0.176 3.945 4.120 0.000 0.000 0.247 157 V C 2.497 178.347 176.094 -0.405 0.000 1.051 157 V CA 2.053 64.154 62.300 -0.331 0.000 1.036 157 V CB -1.273 30.202 31.823 -0.580 0.000 0.654 157 V HN 0.499 nan 8.190 nan 0.000 0.451 158 T N -0.402 113.810 114.554 -0.570 0.000 2.746 158 T HA -0.249 4.102 4.350 0.000 0.000 0.267 158 T C 1.942 176.551 174.700 -0.151 0.000 1.039 158 T CA 1.867 63.711 62.100 -0.427 0.000 1.142 158 T CB -0.208 68.419 68.868 -0.402 0.000 0.866 158 T HN 0.495 nan 8.240 nan 0.000 0.444 159 K N 0.862 121.260 120.400 -0.004 0.000 2.057 159 K HA -0.162 4.158 4.320 0.000 0.000 0.207 159 K C 2.504 179.173 176.600 0.116 0.000 1.049 159 K CA 1.840 58.218 56.287 0.152 0.000 0.931 159 K CB -0.337 32.228 32.500 0.108 0.000 0.714 159 K HN 0.504 nan 8.250 nan 0.000 0.440 160 T N -1.592 112.979 114.554 0.027 0.000 2.788 160 T HA -0.036 4.314 4.350 0.000 0.000 0.268 160 T C 2.012 176.737 174.700 0.041 0.000 1.044 160 T CA 1.019 63.141 62.100 0.038 0.000 1.139 160 T CB -0.398 68.480 68.868 0.015 0.000 0.867 160 T HN 0.267 nan 8.240 nan 0.000 0.454 161 A N 0.851 123.653 122.820 -0.029 0.000 1.877 161 A HA 0.146 4.466 4.320 0.000 0.000 0.216 161 A C 2.130 179.719 177.584 0.008 0.000 1.186 161 A CA 1.188 53.188 52.037 -0.062 0.000 0.620 161 A CB -1.213 17.677 19.000 -0.183 0.000 0.822 161 A HN 0.554 nan 8.150 nan 0.000 0.443 162 F N -0.007 119.981 119.950 0.064 0.000 2.095 162 F HA -0.176 4.351 4.527 0.000 0.000 0.298 162 F C 2.192 178.039 175.800 0.079 0.000 1.104 162 F CA 1.139 59.184 58.000 0.075 0.000 1.232 162 F CB -0.218 38.835 39.000 0.089 0.000 0.987 162 F HN 0.119 nan 8.300 nan 0.000 0.475 163 L N -0.384 121.022 121.223 0.306 0.000 2.093 163 L HA -0.203 4.137 4.340 0.000 0.000 0.208 163 L C 2.331 179.374 176.870 0.289 0.000 1.085 163 L CA 1.281 56.303 54.840 0.303 0.000 0.755 163 L CB -0.588 41.587 42.059 0.193 0.000 0.904 163 L HN 0.182 nan 8.230 nan 0.000 0.435 164 E N 0.391 120.693 120.200 0.169 0.000 2.150 164 E HA -0.156 4.195 4.350 0.000 0.000 0.193 164 E C 1.804 178.456 176.600 0.087 0.000 0.985 164 E CA 0.875 57.346 56.400 0.119 0.000 0.814 164 E CB 0.084 29.828 29.700 0.073 0.000 0.752 164 E HN 0.446 nan 8.360 nan 0.000 0.466 165 A N -0.146 122.721 122.820 0.079 0.000 2.327 165 A HA 0.286 4.607 4.320 0.000 0.000 0.228 165 A C 1.353 178.909 177.584 -0.047 0.000 1.275 165 A CA 0.720 52.780 52.037 0.038 0.000 0.875 165 A CB -0.411 18.633 19.000 0.074 0.000 0.925 165 A HN 0.359 nan 8.150 nan 0.000 0.493 166 G N -1.460 107.217 108.800 -0.206 0.000 2.143 166 G HA2 -0.219 3.741 3.960 0.000 0.000 0.248 166 G HA3 -0.219 3.741 3.960 0.000 0.000 0.248 166 G C 0.201 174.694 174.900 -0.677 0.000 0.991 166 G CA 0.207 44.898 45.100 -0.682 0.000 0.689 166 G HN 0.831 nan 8.290 nan 0.000 0.522 167 V N 2.135 121.882 119.914 -0.278 0.000 2.229 167 V HA 0.325 4.445 4.120 0.000 0.000 0.245 167 V C 0.733 176.843 176.094 0.025 0.000 1.243 167 V CA -0.066 62.176 62.300 -0.098 0.000 1.176 167 V CB -0.651 31.173 31.823 0.001 0.000 1.323 167 V HN 0.508 nan 8.190 nan 0.000 0.499 168 H N 4.740 123.787 119.070 -0.038 0.000 2.651 168 H HA 0.539 5.095 4.556 0.000 0.000 0.353 168 H C -2.134 173.135 175.328 -0.098 0.000 1.178 168 H CA -2.211 53.794 56.048 -0.072 0.000 1.224 168 H CB 2.321 32.050 29.762 -0.055 0.000 1.702 168 H HN 0.357 nan 8.280 nan 0.000 0.550 169 P HA 0.025 nan 4.420 nan 0.000 0.302 169 P C -0.732 176.392 177.300 -0.293 0.000 1.307 169 P CA -0.527 62.470 63.100 -0.172 0.000 0.754 169 P CB 0.913 32.449 31.700 -0.273 0.000 1.298 170 N N -0.736 117.780 118.700 -0.306 0.000 2.438 170 N HA 0.086 4.826 4.740 0.000 0.000 0.282 170 N C 0.390 175.693 175.510 -0.345 0.000 1.037 170 N CA -0.105 52.811 53.050 -0.223 0.000 0.942 170 N CB 0.091 38.510 38.487 -0.113 0.000 1.136 170 N HN 0.277 nan 8.380 nan 0.000 0.481 171 H N 2.495 121.542 119.070 -0.038 0.000 2.652 171 H HA 0.238 4.794 4.556 0.000 0.000 0.274 171 H C 1.275 176.586 175.328 -0.028 0.000 1.021 171 H CA 0.384 56.401 56.048 -0.052 0.000 1.187 171 H CB 0.259 29.965 29.762 -0.093 0.000 1.505 171 H HN 0.794 nan 8.280 nan 0.000 0.530 172 G N 1.936 110.786 108.800 0.083 0.000 2.583 172 G HA2 -0.341 3.619 3.960 0.000 0.000 0.292 172 G HA3 -0.341 3.619 3.960 0.000 0.000 0.292 172 G C -0.256 174.739 174.900 0.158 0.000 1.203 172 G CA 0.301 45.465 45.100 0.107 0.000 0.987 172 G HN 0.352 nan 8.290 nan 0.000 0.554 173 F N 2.322 122.292 119.950 0.033 0.000 2.405 173 F HA 0.697 5.224 4.527 0.000 0.000 0.355 173 F C 0.338 176.147 175.800 0.015 0.000 1.121 173 F CA -0.032 57.984 58.000 0.025 0.000 1.112 173 F CB 1.650 40.662 39.000 0.020 0.000 1.126 173 F HN 0.880 nan 8.300 nan 0.000 0.481 174 S N 5.864 121.107 115.700 -0.763 0.000 2.535 174 S HA 0.421 4.891 4.470 0.000 0.000 0.272 174 S C 0.011 174.235 174.600 -0.627 0.000 1.149 174 S CA -0.784 57.030 58.200 -0.643 0.000 0.888 174 S CB 0.965 63.979 63.200 -0.310 0.000 1.110 174 S HN 0.749 nan 8.310 nan 0.000 0.463 175 L N 1.774 122.695 121.223 -0.504 0.000 2.446 175 L HA 0.259 4.599 4.340 0.000 0.000 0.219 175 L C 0.241 176.937 176.870 -0.290 0.000 1.116 175 L CA 0.312 54.963 54.840 -0.316 0.000 0.844 175 L CB -0.124 41.829 42.059 -0.176 0.000 0.970 175 L HN 0.575 nan 8.230 nan 0.000 0.457 176 D N -0.024 120.191 120.400 -0.308 0.000 2.350 176 D HA 0.023 4.663 4.640 0.000 0.000 0.249 176 D C -0.196 175.921 176.300 -0.305 0.000 1.119 176 D CA 0.002 53.827 54.000 -0.292 0.000 0.886 176 D CB 1.015 41.654 40.800 -0.269 0.000 1.195 176 D HN 0.054 nan 8.370 nan 0.000 0.437 177 H N 2.182 121.044 119.070 -0.346 0.000 3.157 177 H HA 0.143 4.699 4.556 0.000 0.000 0.260 177 H C -0.595 174.535 175.328 -0.331 0.000 1.232 177 H CA 0.365 56.202 56.048 -0.353 0.000 1.488 177 H CB 0.136 29.666 29.762 -0.387 0.000 1.548 177 H HN 0.240 nan 8.280 nan 0.000 0.487 178 E N 3.267 123.092 120.200 -0.625 0.000 2.367 178 E HA 0.103 4.453 4.350 0.000 0.000 0.273 178 E C -0.838 175.507 176.600 -0.425 0.000 0.903 178 E CA -1.152 54.950 56.400 -0.497 0.000 0.764 178 E CB 1.969 31.324 29.700 -0.575 0.000 1.252 178 E HN 0.671 nan 8.360 nan 0.000 0.446 179 E N 1.134 121.191 120.200 -0.238 0.000 2.465 179 E HA 0.266 4.616 4.350 0.000 0.000 0.260 179 E C 0.078 176.693 176.600 0.025 0.000 0.980 179 E CA 0.698 57.010 56.400 -0.146 0.000 0.927 179 E CB 0.290 29.927 29.700 -0.106 0.000 0.934 179 E HN 0.704 nan 8.360 nan 0.000 0.459 180 G N 2.625 111.402 108.800 -0.037 0.000 2.316 180 G HA2 -0.092 3.868 3.960 0.000 0.000 0.349 180 G HA3 -0.092 3.868 3.960 0.000 0.000 0.349 180 G C -0.846 174.043 174.900 -0.019 0.000 1.274 180 G CA -0.401 44.714 45.100 0.025 0.000 1.018 180 G HN 0.570 nan 8.290 nan 0.000 0.486 181 T N 0.819 115.384 114.554 0.017 0.000 2.859 181 T HA 0.802 5.152 4.350 0.000 0.000 0.281 181 T C 0.307 175.049 174.700 0.070 0.000 1.005 181 T CA 0.017 62.105 62.100 -0.020 0.000 1.025 181 T CB 1.472 70.364 68.868 0.039 0.000 0.977 181 T HN 1.043 nan 8.240 nan 0.000 0.458 182 R N 1.218 121.741 120.500 0.038 0.000 2.728 182 R HA 0.598 4.938 4.340 0.000 0.000 0.274 182 R C -1.948 174.393 176.300 0.067 0.000 1.030 182 R CA -0.975 55.163 56.100 0.063 0.000 0.876 182 R CB 0.868 31.180 30.300 0.021 0.000 1.259 182 R HN 0.492 nan 8.270 nan 0.000 0.468 183 I N 1.518 122.155 120.570 0.111 0.000 2.339 183 I HA 0.288 4.458 4.170 0.000 0.000 0.290 183 I C 0.112 176.327 176.117 0.162 0.000 0.994 183 I CA -0.612 60.800 61.300 0.187 0.000 1.191 183 I CB 1.991 40.163 38.000 0.286 0.000 1.343 183 I HN 0.686 nan 8.210 nan 0.000 0.458 184 T N 3.903 118.527 114.554 0.117 0.000 2.889 184 T HA 0.605 4.955 4.350 0.000 0.000 0.278 184 T C 0.341 175.201 174.700 0.267 0.000 0.995 184 T CA -0.375 61.738 62.100 0.021 0.000 0.966 184 T CB 1.491 70.329 68.868 -0.050 0.000 1.237 184 T HN 0.696 nan 8.240 nan 0.000 0.591 185 G N 0.483 109.421 108.800 0.230 0.000 2.562 185 G HA2 0.497 4.457 3.960 0.000 0.000 0.275 185 G HA3 0.497 4.457 3.960 0.000 0.000 0.275 185 G C -0.727 174.326 174.900 0.255 0.000 1.196 185 G CA -0.284 45.016 45.100 0.334 0.000 0.908 185 G HN 0.706 nan 8.290 nan 0.000 0.524 186 S N -2.293 113.545 115.700 0.231 0.000 2.564 186 S HA 0.511 4.981 4.470 0.000 0.000 0.274 186 S C 0.869 175.594 174.600 0.209 0.000 1.124 186 S CA 0.092 58.422 58.200 0.217 0.000 0.869 186 S CB 1.527 64.887 63.200 0.267 0.000 1.105 186 S HN 0.948 nan 8.310 nan 0.000 0.472 187 T N 0.697 115.303 114.554 0.086 0.000 3.129 187 T HA 0.351 4.701 4.350 0.000 0.000 0.251 187 T C 0.100 174.853 174.700 0.089 0.000 1.117 187 T CA 0.099 62.249 62.100 0.084 0.000 1.034 187 T CB -0.682 68.163 68.868 -0.039 0.000 0.968 187 T HN 0.409 nan 8.240 nan 0.000 0.526 188 F N 3.369 123.442 119.950 0.204 0.000 2.408 188 F HA 0.431 4.958 4.527 0.000 0.000 0.344 188 F C 0.698 176.482 175.800 -0.026 0.000 1.112 188 F CA -1.534 56.520 58.000 0.089 0.000 1.096 188 F CB 0.966 39.997 39.000 0.052 0.000 1.129 188 F HN 0.141 nan 8.300 nan 0.000 0.486 189 D N 1.180 121.537 120.400 -0.071 0.000 2.447 189 D HA 0.022 4.662 4.640 0.000 0.000 0.265 189 D C 0.502 176.715 176.300 -0.144 0.000 1.250 189 D CA -0.522 53.172 54.000 -0.511 0.000 1.046 189 D CB 0.383 40.611 40.800 -0.953 0.000 1.095 189 D HN 0.394 nan 8.370 nan 0.000 0.555 190 N N -0.652 117.965 118.700 -0.138 0.000 2.573 190 N HA -0.087 4.653 4.740 0.000 0.000 0.187 190 N C 0.607 176.094 175.510 -0.039 0.000 1.107 190 N CA 0.546 53.567 53.050 -0.048 0.000 0.918 190 N CB 0.213 38.681 38.487 -0.032 0.000 0.966 190 N HN 0.437 nan 8.380 nan 0.000 0.448 191 K N -0.434 119.937 120.400 -0.049 0.000 2.358 191 K HA 0.156 4.476 4.320 0.000 0.000 0.200 191 K C 0.871 177.452 176.600 -0.032 0.000 1.030 191 K CA 0.166 56.433 56.287 -0.032 0.000 1.097 191 K CB 1.010 33.495 32.500 -0.025 0.000 0.862 191 K HN 0.112 nan 8.250 nan 0.000 0.534 192 G N 1.480 110.262 108.800 -0.030 0.000 2.175 192 G HA2 -0.232 3.728 3.960 0.000 0.000 0.244 192 G HA3 -0.232 3.728 3.960 0.000 0.000 0.244 192 G C 0.207 175.116 174.900 0.015 0.000 0.982 192 G CA 0.098 45.171 45.100 -0.045 0.000 0.641 192 G HN 0.254 nan 8.290 nan 0.000 0.527 193 T N 1.527 116.093 114.554 0.019 0.000 2.870 193 T HA 0.409 4.759 4.350 0.000 0.000 0.300 193 T C 0.663 175.393 174.700 0.049 0.000 0.989 193 T CA -0.011 62.084 62.100 -0.007 0.000 1.139 193 T CB 1.303 70.116 68.868 -0.091 0.000 0.920 193 T HN 0.489 nan 8.240 nan 0.000 0.537 194 R N 2.779 123.346 120.500 0.112 0.000 2.390 194 R HA 0.175 4.515 4.340 0.000 0.000 0.291 194 R C -0.537 175.713 176.300 -0.083 0.000 1.070 194 R CA -0.406 55.783 56.100 0.150 0.000 1.014 194 R CB 0.372 30.812 30.300 0.232 0.000 1.007 194 R HN 0.696 nan 8.270 nan 0.000 0.466 195 H N 1.372 120.525 119.070 0.139 0.000 2.569 195 H HA 0.671 5.227 4.556 0.000 0.000 0.357 195 H C -0.653 174.724 175.328 0.082 0.000 1.153 195 H CA -0.416 55.710 56.048 0.130 0.000 1.193 195 H CB 2.175 32.025 29.762 0.146 0.000 1.602 195 H HN 0.791 nan 8.280 nan 0.000 0.523 196 A N 0.667 123.598 122.820 0.186 0.000 2.534 196 A HA 0.602 4.922 4.320 0.000 0.000 0.300 196 A C 0.740 178.372 177.584 0.080 0.000 1.223 196 A CA 0.054 52.168 52.037 0.129 0.000 0.666 196 A CB 0.148 19.240 19.000 0.155 0.000 1.316 196 A HN 0.642 nan 8.150 nan 0.000 0.468 197 A N 0.097 122.965 122.820 0.080 0.000 1.978 197 A HA -0.140 4.180 4.320 0.000 0.000 0.220 197 A C 1.530 179.119 177.584 0.008 0.000 1.170 197 A CA 2.371 54.443 52.037 0.059 0.000 0.636 197 A CB -0.920 18.124 19.000 0.074 0.000 0.810 197 A HN 0.941 nan 8.150 nan 0.000 0.448 198 D N 0.077 120.481 120.400 0.007 0.000 2.182 198 D HA -0.219 4.421 4.640 0.000 0.000 0.201 198 D C 1.402 177.581 176.300 -0.201 0.000 0.986 198 D CA 1.532 55.454 54.000 -0.130 0.000 0.847 198 D CB -0.693 40.115 40.800 0.013 0.000 0.942 198 D HN 0.646 nan 8.370 nan 0.000 0.467 199 E N 0.048 120.202 120.200 -0.077 0.000 2.338 199 E HA 0.009 4.359 4.350 0.000 0.000 0.197 199 E C 2.217 178.765 176.600 -0.086 0.000 1.007 199 E CA 0.087 56.431 56.400 -0.093 0.000 0.849 199 E CB -0.030 29.538 29.700 -0.220 0.000 0.774 199 E HN 0.373 nan 8.360 nan 0.000 0.506 200 L N 0.552 121.728 121.223 -0.078 0.000 2.465 200 L HA -0.109 4.231 4.340 0.000 0.000 0.224 200 L C 2.018 178.905 176.870 0.029 0.000 1.145 200 L CA 0.383 55.179 54.840 -0.072 0.000 0.834 200 L CB -0.224 41.870 42.059 0.057 0.000 0.944 200 L HN 0.207 nan 8.230 nan 0.000 0.451 201 L N -0.290 120.939 121.223 0.010 0.000 2.201 201 L HA -0.155 4.185 4.340 0.000 0.000 0.212 201 L C 2.027 179.052 176.870 0.258 0.000 1.105 201 L CA 0.675 55.579 54.840 0.107 0.000 0.775 201 L CB -0.521 41.512 42.059 -0.042 0.000 0.913 201 L HN 0.383 nan 8.230 nan 0.000 0.440 202 N N 0.077 118.888 118.700 0.185 0.000 2.453 202 N HA -0.111 4.629 4.740 0.000 0.000 0.183 202 N C 1.442 177.020 175.510 0.114 0.000 1.041 202 N CA 0.787 53.954 53.050 0.195 0.000 0.900 202 N CB 0.020 38.567 38.487 0.099 0.000 0.961 202 N HN 0.322 nan 8.380 nan 0.000 0.443 203 K N 0.564 121.000 120.400 0.060 0.000 2.418 203 K HA 0.105 4.425 4.320 0.000 0.000 0.195 203 K C 1.245 177.951 176.600 0.178 0.000 1.035 203 K CA -0.040 56.283 56.287 0.059 0.000 1.003 203 K CB -0.019 32.445 32.500 -0.059 0.000 0.793 203 K HN 0.090 nan 8.250 nan 0.000 0.494 204 G N 1.297 110.196 108.800 0.166 0.000 2.563 204 G HA2 0.009 3.969 3.960 0.000 0.000 0.283 204 G HA3 0.009 3.969 3.960 0.000 0.000 0.283 204 G C -0.374 174.555 174.900 0.049 0.000 1.309 204 G CA -0.471 44.688 45.100 0.098 0.000 1.022 204 G HN 0.093 nan 8.290 nan 0.000 0.501 205 N N -0.387 118.299 118.700 -0.023 0.000 2.414 205 N HA 0.050 4.791 4.740 0.000 0.000 0.256 205 N C 1.604 177.039 175.510 -0.124 0.000 1.029 205 N CA 0.162 53.194 53.050 -0.030 0.000 0.948 205 N CB 1.417 39.888 38.487 -0.028 0.000 1.102 205 N HN 0.348 nan 8.380 nan 0.000 0.496 206 S N 2.362 118.047 115.700 -0.024 0.000 2.500 206 S HA -0.107 4.364 4.470 0.000 0.000 0.239 206 S C 1.176 175.769 174.600 -0.011 0.000 0.989 206 S CA 0.629 58.827 58.200 -0.003 0.000 0.951 206 S CB -0.121 63.271 63.200 0.321 0.000 0.759 206 S HN 0.733 nan 8.310 nan 0.000 0.523 207 N N 0.692 119.386 118.700 -0.010 0.000 2.254 207 N HA 0.109 4.849 4.740 0.000 0.000 0.190 207 N C 0.358 175.868 175.510 0.000 0.000 1.107 207 N CA 0.194 53.258 53.050 0.023 0.000 0.869 207 N CB 0.106 38.613 38.487 0.034 0.000 0.983 207 N HN 0.340 nan 8.380 nan 0.000 0.487 208 N N 0.244 118.914 118.700 -0.050 0.000 2.257 208 N HA 0.080 4.820 4.740 0.000 0.000 0.200 208 N C -0.470 175.015 175.510 -0.042 0.000 1.163 208 N CA -0.116 52.925 53.050 -0.015 0.000 0.891 208 N CB 0.998 39.483 38.487 -0.003 0.000 1.067 208 N HN 0.131 nan 8.380 nan 0.000 0.497 209 L N 1.521 122.609 121.223 -0.224 0.000 2.295 209 L HA 0.445 4.785 4.340 0.000 0.000 0.285 209 L C -0.548 176.136 176.870 -0.309 0.000 1.035 209 L CA -0.327 54.321 54.840 -0.321 0.000 0.806 209 L CB 0.890 42.616 42.059 -0.555 0.000 1.214 209 L HN -0.118 nan 8.230 nan 0.000 0.426 210 R N 3.679 124.167 120.500 -0.020 0.000 2.561 210 R HA 0.743 5.083 4.340 0.000 0.000 0.297 210 R C -1.586 174.831 176.300 0.196 0.000 0.969 210 R CA -0.854 55.374 56.100 0.214 0.000 0.879 210 R CB 2.349 32.775 30.300 0.210 0.000 1.178 210 R HN 0.446 nan 8.270 nan 0.000 0.445 211 V N 1.671 121.810 119.914 0.375 0.000 2.448 211 V HA 0.598 4.718 4.120 0.000 0.000 0.295 211 V C 0.212 176.423 176.094 0.194 0.000 1.025 211 V CA -0.772 61.664 62.300 0.228 0.000 0.859 211 V CB 1.925 33.909 31.823 0.268 0.000 0.988 211 V HN 0.937 nan 8.190 nan 0.000 0.431 212 G N 3.377 112.198 108.800 0.035 0.000 2.417 212 G HA2 0.651 4.612 3.960 0.000 0.000 0.320 212 G HA3 0.651 4.612 3.960 0.000 0.000 0.320 212 G C -0.596 174.278 174.900 -0.044 0.000 1.204 212 G CA -0.465 44.635 45.100 -0.001 0.000 0.923 212 G HN 0.869 nan 8.290 nan 0.000 0.466 213 V N -0.012 119.884 119.914 -0.030 0.000 2.975 213 V HA 0.645 4.765 4.120 0.000 0.000 0.318 213 V C 0.638 176.702 176.094 -0.051 0.000 1.077 213 V CA -0.893 61.340 62.300 -0.113 0.000 1.000 213 V CB 0.869 32.540 31.823 -0.252 0.000 1.066 213 V HN 1.036 nan 8.190 nan 0.000 0.452 214 H N -0.351 118.742 119.070 0.039 0.000 2.791 214 H HA -0.102 4.454 4.556 0.000 0.000 0.302 214 H C 0.340 175.687 175.328 0.033 0.000 1.198 214 H CA 0.410 56.485 56.048 0.044 0.000 1.145 214 H CB -1.088 28.707 29.762 0.056 0.000 1.385 214 H HN 1.259 nan 8.280 nan 0.000 0.409 215 A N 1.363 124.239 122.820 0.092 0.000 2.293 215 A HA 0.510 4.830 4.320 0.000 0.000 0.312 215 A C 0.190 177.805 177.584 0.051 0.000 1.309 215 A CA -0.058 52.005 52.037 0.043 0.000 0.839 215 A CB 1.225 20.112 19.000 -0.188 0.000 1.155 215 A HN 0.263 nan 8.150 nan 0.000 0.501 216 S N 2.838 118.603 115.700 0.109 0.000 2.399 216 S HA 0.392 4.862 4.470 0.000 0.000 0.301 216 S C -0.110 174.554 174.600 0.106 0.000 1.093 216 S CA -0.368 57.883 58.200 0.086 0.000 1.077 216 S CB -0.242 63.004 63.200 0.078 0.000 0.980 216 S HN 0.603 nan 8.310 nan 0.000 0.494 217 V N 6.632 126.587 119.914 0.068 0.000 2.439 217 V HA 0.177 4.297 4.120 0.000 0.000 0.271 217 V C 0.967 177.090 176.094 0.048 0.000 1.040 217 V CA 0.227 62.570 62.300 0.071 0.000 1.002 217 V CB 0.714 32.546 31.823 0.016 0.000 1.000 217 V HN 0.940 nan 8.190 nan 0.000 0.477 218 E N 3.408 123.637 120.200 0.050 0.000 2.389 218 E HA 0.199 4.549 4.350 0.000 0.000 0.199 218 E C 0.513 177.126 176.600 0.021 0.000 0.978 218 E CA 0.087 56.506 56.400 0.032 0.000 0.912 218 E CB 0.874 30.593 29.700 0.031 0.000 0.907 218 E HN 0.598 nan 8.360 nan 0.000 0.494 219 K N 0.936 121.339 120.400 0.006 0.000 2.557 219 K HA 0.344 4.664 4.320 0.000 0.000 0.261 219 K C -1.707 174.853 176.600 -0.067 0.000 0.932 219 K CA -0.470 55.814 56.287 -0.005 0.000 0.829 219 K CB 1.681 34.184 32.500 0.004 0.000 1.358 219 K HN -0.116 nan 8.250 nan 0.000 0.430 220 I N 4.923 125.434 120.570 -0.098 0.000 2.365 220 I HA 0.307 4.477 4.170 0.000 0.000 0.291 220 I C 0.059 175.886 176.117 -0.483 0.000 1.004 220 I CA -0.810 60.306 61.300 -0.307 0.000 1.311 220 I CB 1.113 38.900 38.000 -0.354 0.000 1.401 220 I HN 0.427 nan 8.210 nan 0.000 0.491 221 I N 5.932 126.195 120.570 -0.511 0.000 2.385 221 I HA 0.362 4.532 4.170 0.000 0.000 0.294 221 I C -0.606 175.175 176.117 -0.561 0.000 0.988 221 I CA -0.212 60.870 61.300 -0.363 0.000 1.265 221 I CB 0.799 38.692 38.000 -0.177 0.000 1.388 221 I HN 0.337 nan 8.210 nan 0.000 0.480 222 F N 2.318 122.291 119.950 0.039 0.000 2.598 222 F HA 0.447 4.974 4.527 0.000 0.000 0.327 222 F C 0.629 176.457 175.800 0.047 0.000 1.057 222 F CA -0.715 57.310 58.000 0.042 0.000 0.957 222 F CB 1.816 40.836 39.000 0.033 0.000 1.278 222 F HN 0.450 nan 8.300 nan 0.000 0.484 223 S N -0.081 115.775 115.700 0.261 0.000 2.655 223 S HA 0.389 4.859 4.470 0.000 0.000 0.265 223 S C -0.403 174.275 174.600 0.130 0.000 1.240 223 S CA -0.972 57.319 58.200 0.152 0.000 0.986 223 S CB 0.378 63.647 63.200 0.114 0.000 0.985 223 S HN 0.666 nan 8.310 nan 0.000 0.562 224 N N 0.259 119.008 118.700 0.082 0.000 2.453 224 N HA 0.443 5.183 4.740 0.000 0.000 0.253 224 N C -0.048 175.485 175.510 0.039 0.000 1.252 224 N CA -0.232 52.850 53.050 0.055 0.000 0.917 224 N CB 0.354 38.864 38.487 0.038 0.000 1.117 224 N HN 0.859 nan 8.380 nan 0.000 0.442 225 A N 1.585 124.417 122.820 0.020 0.000 2.304 225 A HA 0.401 4.721 4.320 0.000 0.000 0.271 225 A C -1.597 175.990 177.584 0.005 0.000 1.091 225 A CA -0.909 51.130 52.037 0.004 0.000 0.812 225 A CB -0.145 18.848 19.000 -0.013 0.000 1.056 225 A HN 0.590 nan 8.150 nan 0.000 0.489 226 P HA 0.492 nan 4.420 nan 0.000 0.297 226 P C 0.438 177.742 177.300 0.006 0.000 1.307 226 P CA 0.597 63.696 63.100 -0.003 0.000 0.773 226 P CB 0.319 32.015 31.700 -0.006 0.000 1.265 227 G N -0.467 108.336 108.800 0.004 0.000 2.314 227 G HA2 -0.207 3.753 3.960 0.000 0.000 0.292 227 G HA3 -0.207 3.753 3.960 0.000 0.000 0.292 227 G C 0.030 174.949 174.900 0.031 0.000 1.059 227 G CA -0.076 45.033 45.100 0.015 0.000 0.982 227 G HN 0.469 nan 8.290 nan 0.000 0.505 228 L N 0.210 121.447 121.223 0.024 0.000 2.559 228 L HA 0.332 4.672 4.340 0.000 0.000 0.282 228 L C 0.785 177.721 176.870 0.111 0.000 1.232 228 L CA 0.743 55.612 54.840 0.049 0.000 0.885 228 L CB 0.380 42.420 42.059 -0.032 0.000 1.131 228 L HN 0.285 nan 8.230 nan 0.000 0.498 229 T N 1.825 116.495 114.554 0.192 0.000 2.952 229 T HA 0.516 4.866 4.350 0.000 0.000 0.305 229 T C -0.315 174.551 174.700 0.277 0.000 1.064 229 T CA -0.641 61.579 62.100 0.200 0.000 1.008 229 T CB 1.798 70.731 68.868 0.109 0.000 1.078 229 T HN 0.663 nan 8.240 nan 0.000 0.459 230 A N 1.875 124.826 122.820 0.219 0.000 2.454 230 A HA 0.516 4.836 4.320 0.000 0.000 0.260 230 A C 1.357 178.914 177.584 -0.047 0.000 1.106 230 A CA -0.023 51.991 52.037 -0.039 0.000 0.780 230 A CB -0.058 18.893 19.000 -0.082 0.000 1.044 230 A HN 0.989 nan 8.150 nan 0.000 0.498 231 T N -0.234 114.269 114.554 -0.085 0.000 3.001 231 T HA 0.538 4.888 4.350 0.000 0.000 0.251 231 T C 0.811 175.527 174.700 0.028 0.000 1.040 231 T CA 0.692 62.813 62.100 0.035 0.000 0.985 231 T CB 0.079 69.030 68.868 0.137 0.000 1.011 231 T HN 2.021 nan 8.240 nan 0.000 0.509 232 G N 0.735 109.440 108.800 -0.158 0.000 2.344 232 G HA2 0.438 4.398 3.960 0.000 0.000 0.282 232 G HA3 0.438 4.398 3.960 0.000 0.000 0.282 232 G C -1.593 173.118 174.900 -0.315 0.000 1.281 232 G CA -0.169 44.772 45.100 -0.266 0.000 0.877 232 G HN 1.105 nan 8.290 nan 0.000 0.494 233 V N -2.407 117.320 119.914 -0.312 0.000 3.159 233 V HA 0.884 5.004 4.120 0.000 0.000 0.308 233 V C -0.697 175.306 176.094 -0.152 0.000 1.190 233 V CA -1.264 60.917 62.300 -0.197 0.000 1.037 233 V CB 1.858 33.622 31.823 -0.097 0.000 1.060 233 V HN 0.946 nan 8.190 nan 0.000 0.437 234 I N 3.142 123.667 120.570 -0.075 0.000 2.378 234 I HA 0.646 4.816 4.170 0.000 0.000 0.291 234 I C -0.907 175.249 176.117 0.064 0.000 0.992 234 I CA -0.631 60.636 61.300 -0.055 0.000 1.154 234 I CB 1.649 39.611 38.000 -0.063 0.000 1.315 234 I HN 0.926 nan 8.210 nan 0.000 0.448 235 Y N 4.134 124.422 120.300 -0.019 0.000 2.545 235 Y HA 0.771 5.321 4.550 0.000 0.000 0.348 235 Y C -0.882 175.037 175.900 0.031 0.000 1.002 235 Y CA -1.291 56.799 58.100 -0.017 0.000 1.039 235 Y CB 1.254 39.679 38.460 -0.059 0.000 1.271 235 Y HN 0.433 nan 8.280 nan 0.000 0.467 236 R N 1.950 122.539 120.500 0.148 0.000 2.637 236 R HA 0.347 4.687 4.340 0.000 0.000 0.291 236 R C -1.276 175.099 176.300 0.126 0.000 0.963 236 R CA -0.704 55.458 56.100 0.102 0.000 0.901 236 R CB 1.298 31.644 30.300 0.075 0.000 1.160 236 R HN 1.015 nan 8.270 nan 0.000 0.457 237 D N 0.778 121.248 120.400 0.117 0.000 2.506 237 D HA 0.043 4.683 4.640 0.000 0.000 0.272 237 D C 0.803 177.159 176.300 0.093 0.000 1.214 237 D CA -0.473 53.592 54.000 0.109 0.000 1.067 237 D CB 0.744 41.619 40.800 0.126 0.000 1.117 237 D HN 0.404 nan 8.370 nan 0.000 0.578 238 S N -0.823 114.921 115.700 0.073 0.000 2.469 238 S HA -0.169 4.301 4.470 0.000 0.000 0.238 238 S C 1.004 175.623 174.600 0.031 0.000 0.998 238 S CA 0.487 58.700 58.200 0.022 0.000 0.957 238 S CB -0.578 62.600 63.200 -0.038 0.000 0.764 238 S HN 0.463 nan 8.310 nan 0.000 0.514 239 N N 1.267 120.002 118.700 0.059 0.000 2.412 239 N HA 0.191 4.931 4.740 0.000 0.000 0.184 239 N C 1.313 176.850 175.510 0.046 0.000 1.101 239 N CA 0.809 53.889 53.050 0.050 0.000 0.881 239 N CB 0.303 38.827 38.487 0.062 0.000 0.969 239 N HN 0.681 nan 8.380 nan 0.000 0.459 240 G N 0.127 108.961 108.800 0.057 0.000 2.157 240 G HA2 -0.247 3.713 3.960 0.000 0.000 0.248 240 G HA3 -0.247 3.713 3.960 0.000 0.000 0.248 240 G C 0.021 174.951 174.900 0.050 0.000 0.979 240 G CA 0.327 45.454 45.100 0.046 0.000 0.650 240 G HN 0.302 nan 8.290 nan 0.000 0.529 241 T N 3.794 118.395 114.554 0.078 0.000 2.780 241 T HA 0.538 4.888 4.350 0.000 0.000 0.294 241 T C -2.046 172.716 174.700 0.103 0.000 0.949 241 T CA -0.604 61.528 62.100 0.054 0.000 1.074 241 T CB 2.327 71.214 68.868 0.032 0.000 0.910 241 T HN 0.253 nan 8.240 nan 0.000 0.501 242 P HA 0.419 nan 4.420 nan 0.000 0.284 242 P C -1.066 176.158 177.300 -0.127 0.000 1.253 242 P CA -0.533 62.564 63.100 -0.006 0.000 0.800 242 P CB 0.914 32.588 31.700 -0.044 0.000 0.961 243 H N -0.188 118.574 119.070 -0.514 0.000 2.771 243 H HA 0.549 5.106 4.556 0.000 0.000 0.367 243 H C -0.119 174.852 175.328 -0.595 0.000 1.172 243 H CA -0.502 55.164 56.048 -0.638 0.000 1.186 243 H CB 1.548 30.613 29.762 -1.161 0.000 1.790 243 H HN 0.327 nan 8.280 nan 0.000 0.556 244 Q N 0.253 119.951 119.800 -0.171 0.000 2.347 244 Q HA 0.763 5.103 4.340 0.000 0.000 0.271 244 Q C -1.380 174.618 176.000 -0.004 0.000 1.064 244 Q CA -1.186 54.519 55.803 -0.163 0.000 0.800 244 Q CB 3.224 31.885 28.738 -0.128 0.000 1.304 244 Q HN 0.730 nan 8.270 nan 0.000 0.438 245 A N 2.765 125.524 122.820 -0.102 0.000 2.335 245 A HA 0.768 5.089 4.320 0.000 0.000 0.304 245 A C -1.410 176.078 177.584 -0.160 0.000 1.118 245 A CA -0.390 51.713 52.037 0.111 0.000 0.757 245 A CB 0.422 19.535 19.000 0.189 0.000 1.188 245 A HN 0.571 nan 8.150 nan 0.000 0.460 246 F N 1.341 121.387 119.950 0.161 0.000 2.483 246 F HA 0.612 5.139 4.527 0.000 0.000 0.329 246 F C 0.573 176.420 175.800 0.078 0.000 1.064 246 F CA -0.742 57.303 58.000 0.075 0.000 0.986 246 F CB 2.061 41.080 39.000 0.032 0.000 1.218 246 F HN 0.481 nan 8.300 nan 0.000 0.484 247 V N -0.169 119.859 119.914 0.190 0.000 2.547 247 V HA 0.670 4.791 4.120 0.000 0.000 0.299 247 V C -0.112 175.996 176.094 0.022 0.000 1.040 247 V CA -1.179 61.156 62.300 0.058 0.000 0.913 247 V CB 1.415 33.207 31.823 -0.051 0.000 0.992 247 V HN 0.750 nan 8.190 nan 0.000 0.449 248 R N 1.592 122.067 120.500 -0.042 0.000 2.531 248 R HA 0.476 4.816 4.340 0.000 0.000 0.260 248 R C 0.541 176.784 176.300 -0.095 0.000 1.144 248 R CA -0.437 55.630 56.100 -0.054 0.000 1.171 248 R CB 0.776 31.046 30.300 -0.050 0.000 1.199 248 R HN 0.871 nan 8.270 nan 0.000 0.594 249 S N 0.589 116.246 115.700 -0.070 0.000 2.642 249 S HA -0.092 4.379 4.470 0.000 0.000 0.308 249 S C 0.307 174.838 174.600 -0.115 0.000 1.255 249 S CA 0.838 58.996 58.200 -0.070 0.000 1.057 249 S CB 0.010 63.184 63.200 -0.044 0.000 0.785 249 S HN 0.644 nan 8.310 nan 0.000 0.500 250 K N 0.748 121.083 120.400 -0.109 0.000 3.572 250 K HA -0.176 4.145 4.320 0.000 0.000 0.306 250 K C 0.714 177.161 176.600 -0.254 0.000 1.286 250 K CA 1.060 57.266 56.287 -0.135 0.000 1.010 250 K CB -2.050 30.380 32.500 -0.116 0.000 1.268 250 K HN 0.794 nan 8.250 nan 0.000 0.438 251 G N 0.894 109.487 108.800 -0.345 0.000 2.616 251 G HA2 0.434 4.394 3.960 0.000 0.000 0.268 251 G HA3 0.434 4.394 3.960 0.000 0.000 0.268 251 G C -0.432 174.230 174.900 -0.397 0.000 1.213 251 G CA -0.281 44.433 45.100 -0.643 0.000 0.926 251 G HN 0.212 nan 8.290 nan 0.000 0.523 252 E N -1.651 118.297 120.200 -0.421 0.000 2.413 252 E HA 0.414 4.764 4.350 0.000 0.000 0.277 252 E C -1.462 175.153 176.600 0.025 0.000 0.958 252 E CA -0.836 55.529 56.400 -0.057 0.000 0.779 252 E CB 2.657 32.428 29.700 0.118 0.000 1.278 252 E HN 0.232 nan 8.360 nan 0.000 0.456 253 V N 2.469 122.396 119.914 0.021 0.000 2.394 253 V HA 0.431 4.551 4.120 0.000 0.000 0.282 253 V C -0.349 175.766 176.094 0.034 0.000 1.031 253 V CA -0.386 61.917 62.300 0.006 0.000 0.881 253 V CB 0.887 32.677 31.823 -0.054 0.000 0.982 253 V HN 0.474 nan 8.190 nan 0.000 0.451 254 I N 5.062 125.649 120.570 0.029 0.000 2.436 254 I HA 0.425 4.595 4.170 0.000 0.000 0.289 254 I C -0.574 175.538 176.117 -0.008 0.000 1.010 254 I CA -0.828 60.482 61.300 0.017 0.000 1.098 254 I CB 2.162 40.166 38.000 0.007 0.000 1.266 254 I HN 0.249 nan 8.210 nan 0.000 0.434 255 V N 4.971 124.883 119.914 -0.004 0.000 2.383 255 V HA 0.270 4.390 4.120 0.000 0.000 0.275 255 V C 0.458 176.541 176.094 -0.019 0.000 1.036 255 V CA -0.061 62.233 62.300 -0.011 0.000 0.889 255 V CB 1.234 33.057 31.823 0.002 0.000 0.985 255 V HN 0.843 nan 8.190 nan 0.000 0.459 256 S N 2.955 118.640 115.700 -0.025 0.000 2.835 256 S HA 0.291 4.761 4.470 0.000 0.000 0.248 256 S C 1.202 175.792 174.600 -0.016 0.000 1.070 256 S CA 0.292 58.474 58.200 -0.031 0.000 1.090 256 S CB 1.039 64.215 63.200 -0.040 0.000 0.978 256 S HN 0.893 nan 8.310 nan 0.000 0.510 257 A N 1.377 124.192 122.820 -0.007 0.000 2.259 257 A HA 0.606 4.926 4.320 0.000 0.000 0.208 257 A C 1.272 178.871 177.584 0.024 0.000 1.201 257 A CA 0.444 52.485 52.037 0.006 0.000 0.824 257 A CB -0.725 18.277 19.000 0.004 0.000 0.838 257 A HN 1.071 nan 8.150 nan 0.000 0.485 258 G N -2.170 106.642 108.800 0.020 0.000 2.756 258 G HA2 -0.146 3.814 3.960 0.000 0.000 0.678 258 G HA3 -0.146 3.814 3.960 0.000 0.000 0.678 258 G C 0.521 175.464 174.900 0.072 0.000 1.349 258 G CA -0.170 44.960 45.100 0.050 0.000 0.847 258 G HN 0.418 nan 8.290 nan 0.000 0.548 259 T N 0.331 114.971 114.554 0.143 0.000 2.737 259 T HA -0.148 4.202 4.350 0.000 0.000 0.269 259 T C 2.403 177.172 174.700 0.115 0.000 1.040 259 T CA 1.931 64.143 62.100 0.187 0.000 1.142 259 T CB -0.154 68.953 68.868 0.399 0.000 0.861 259 T HN 0.441 nan 8.240 nan 0.000 0.456 260 I N 0.656 121.271 120.570 0.075 0.000 2.429 260 I HA 0.137 4.307 4.170 0.000 0.000 0.247 260 I C 2.897 178.990 176.117 -0.040 0.000 1.099 260 I CA 1.037 62.304 61.300 -0.055 0.000 1.422 260 I CB -1.780 36.102 38.000 -0.197 0.000 1.112 260 I HN 0.280 nan 8.210 nan 0.000 0.430 261 G N 0.533 109.330 108.800 -0.005 0.000 2.408 261 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 261 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 261 G C 1.679 176.580 174.900 0.002 0.000 1.150 261 G CA 1.243 46.340 45.100 -0.004 0.000 0.776 261 G HN 0.288 nan 8.290 nan 0.000 0.542 262 T N 1.952 116.511 114.554 0.008 0.000 2.701 262 T HA -0.057 4.293 4.350 0.000 0.000 0.263 262 T C 0.215 174.918 174.700 0.005 0.000 1.040 262 T CA 1.580 63.684 62.100 0.007 0.000 1.147 262 T CB -0.832 68.040 68.868 0.007 0.000 0.865 262 T HN 0.232 nan 8.240 nan 0.000 0.426 263 P HA -0.090 nan 4.420 nan 0.000 0.217 263 P C 1.619 178.917 177.300 -0.004 0.000 1.150 263 P CA 1.046 64.141 63.100 -0.008 0.000 0.832 263 P CB -0.080 31.609 31.700 -0.018 0.000 0.787 264 Q N -0.393 119.402 119.800 -0.008 0.000 2.061 264 Q HA -0.206 4.134 4.340 0.000 0.000 0.204 264 Q C 2.001 178.015 176.000 0.023 0.000 0.984 264 Q CA 1.465 57.269 55.803 0.002 0.000 0.846 264 Q CB -0.776 27.954 28.738 -0.014 0.000 0.902 264 Q HN 0.094 nan 8.270 nan 0.000 0.421 265 L N 0.627 121.863 121.223 0.021 0.000 2.083 265 L HA -0.134 4.206 4.340 0.000 0.000 0.209 265 L C 2.092 178.995 176.870 0.056 0.000 1.083 265 L CA 1.489 56.349 54.840 0.033 0.000 0.752 265 L CB -0.429 41.643 42.059 0.022 0.000 0.899 265 L HN 0.322 nan 8.230 nan 0.000 0.433 266 L N -1.413 119.842 121.223 0.052 0.000 2.017 266 L HA -0.242 4.098 4.340 0.000 0.000 0.208 266 L C 2.507 179.426 176.870 0.081 0.000 1.073 266 L CA 1.345 56.228 54.840 0.072 0.000 0.745 266 L CB -0.569 41.507 42.059 0.028 0.000 0.894 266 L HN 0.292 nan 8.230 nan 0.000 0.432 267 L N -0.556 120.708 121.223 0.069 0.000 2.017 267 L HA -0.251 4.089 4.340 0.000 0.000 0.208 267 L C 2.480 179.408 176.870 0.097 0.000 1.073 267 L CA 1.277 56.176 54.840 0.100 0.000 0.745 267 L CB -0.504 41.633 42.059 0.129 0.000 0.894 267 L HN 0.258 nan 8.230 nan 0.000 0.432 268 L N -0.904 120.367 121.223 0.080 0.000 2.265 268 L HA -0.161 4.179 4.340 0.000 0.000 0.215 268 L C 2.058 178.977 176.870 0.082 0.000 1.117 268 L CA 0.729 55.609 54.840 0.066 0.000 0.782 268 L CB -0.305 41.784 42.059 0.050 0.000 0.914 268 L HN 0.190 nan 8.230 nan 0.000 0.441 269 S N -0.697 115.073 115.700 0.117 0.000 2.577 269 S HA 0.232 4.702 4.470 0.000 0.000 0.219 269 S C 1.347 176.068 174.600 0.202 0.000 0.962 269 S CA 0.573 58.889 58.200 0.193 0.000 0.921 269 S CB 0.676 64.043 63.200 0.279 0.000 0.789 269 S HN 0.615 nan 8.310 nan 0.000 0.497 270 G N 0.974 109.838 108.800 0.108 0.000 2.141 270 G HA2 -0.224 3.736 3.960 0.000 0.000 0.242 270 G HA3 -0.224 3.736 3.960 0.000 0.000 0.242 270 G C -0.036 174.867 174.900 0.005 0.000 0.982 270 G CA -0.072 45.057 45.100 0.048 0.000 0.662 270 G HN 0.425 nan 8.290 nan 0.000 0.527 271 V N 0.769 120.703 119.914 0.034 0.000 2.293 271 V HA 0.828 4.948 4.120 0.000 0.000 0.275 271 V C 0.772 176.901 176.094 0.059 0.000 1.021 271 V CA 0.496 62.809 62.300 0.022 0.000 0.815 271 V CB 0.639 32.465 31.823 0.005 0.000 1.025 271 V HN 1.452 nan 8.190 nan 0.000 0.448 272 G N 5.711 114.562 108.800 0.085 0.000 2.321 272 G HA2 0.423 4.383 3.960 0.000 0.000 0.296 272 G HA3 0.423 4.383 3.960 0.000 0.000 0.296 272 G C -3.513 171.429 174.900 0.070 0.000 1.287 272 G CA -0.926 44.225 45.100 0.085 0.000 0.846 272 G HN 0.351 nan 8.290 nan 0.000 0.508 273 P HA 0.112 nan 4.420 nan 0.000 0.260 273 P C 0.753 178.090 177.300 0.062 0.000 1.185 273 P CA 0.090 63.203 63.100 0.021 0.000 0.763 273 P CB 1.046 32.748 31.700 0.004 0.000 0.776 274 E N 3.336 123.543 120.200 0.011 0.000 2.049 274 E HA -0.227 4.124 4.350 0.000 0.000 0.198 274 E C 1.622 178.230 176.600 0.013 0.000 1.007 274 E CA 2.572 58.974 56.400 0.003 0.000 0.809 274 E CB -0.418 29.269 29.700 -0.022 0.000 0.749 274 E HN 0.487 nan 8.360 nan 0.000 0.450 275 S N -0.550 115.161 115.700 0.019 0.000 2.402 275 S HA -0.174 4.296 4.470 0.000 0.000 0.229 275 S C 2.155 176.777 174.600 0.037 0.000 1.021 275 S CA 1.099 59.309 58.200 0.017 0.000 0.974 275 S CB -0.760 62.450 63.200 0.016 0.000 0.800 275 S HN 0.426 nan 8.310 nan 0.000 0.484 276 Y N 2.480 122.758 120.300 -0.037 0.000 2.133 276 Y HA 0.086 4.636 4.550 0.000 0.000 0.287 276 Y C 2.019 177.903 175.900 -0.027 0.000 1.134 276 Y CA 1.294 59.374 58.100 -0.034 0.000 1.133 276 Y CB -0.543 37.893 38.460 -0.039 0.000 0.987 276 Y HN 0.189 nan 8.280 nan 0.000 0.502 277 L N -0.687 120.502 121.223 -0.058 0.000 2.012 277 L HA -0.259 4.081 4.340 0.000 0.000 0.210 277 L C 2.447 179.227 176.870 -0.150 0.000 1.073 277 L CA 1.762 56.523 54.840 -0.132 0.000 0.748 277 L CB -0.833 41.227 42.059 0.003 0.000 0.891 277 L HN 0.164 nan 8.230 nan 0.000 0.431 278 S N -0.276 115.369 115.700 -0.091 0.000 2.419 278 S HA -0.155 4.315 4.470 0.000 0.000 0.233 278 S C 2.151 176.690 174.600 -0.102 0.000 1.016 278 S CA 1.341 59.495 58.200 -0.078 0.000 0.974 278 S CB -0.285 62.887 63.200 -0.047 0.000 0.786 278 S HN 0.628 nan 8.310 nan 0.000 0.492 279 S N 1.646 117.263 115.700 -0.138 0.000 2.442 279 S HA 0.061 4.531 4.470 0.000 0.000 0.236 279 S C 1.395 175.898 174.600 -0.163 0.000 1.007 279 S CA 0.724 58.842 58.200 -0.135 0.000 0.965 279 S CB -0.455 62.661 63.200 -0.140 0.000 0.773 279 S HN 0.498 nan 8.310 nan 0.000 0.504 280 L N 0.748 121.835 121.223 -0.225 0.000 2.640 280 L HA 0.378 4.718 4.340 0.000 0.000 0.230 280 L C 0.169 176.965 176.870 -0.122 0.000 1.123 280 L CA -0.091 54.632 54.840 -0.195 0.000 0.900 280 L CB -0.788 41.098 42.059 -0.288 0.000 1.146 280 L HN 0.324 nan 8.230 nan 0.000 0.484 281 N N 0.133 118.772 118.700 -0.101 0.000 2.776 281 N HA -0.178 4.562 4.740 0.000 0.000 0.250 281 N C -0.133 175.346 175.510 -0.052 0.000 1.112 281 N CA 0.089 53.101 53.050 -0.064 0.000 0.733 281 N CB -1.066 37.391 38.487 -0.049 0.000 1.097 281 N HN 0.265 nan 8.380 nan 0.000 0.558 282 I N 1.302 121.833 120.570 -0.065 0.000 2.352 282 I HA 0.236 4.406 4.170 0.000 0.000 0.290 282 I C -1.960 174.145 176.117 -0.021 0.000 1.036 282 I CA -1.757 59.521 61.300 -0.036 0.000 1.336 282 I CB 0.759 38.736 38.000 -0.038 0.000 1.407 282 I HN -0.227 nan 8.210 nan 0.000 0.497 283 P HA -0.009 nan 4.420 nan 0.000 0.264 283 P C -0.611 176.687 177.300 -0.002 0.000 1.193 283 P CA -0.056 63.044 63.100 -0.001 0.000 0.763 283 P CB 0.413 32.121 31.700 0.013 0.000 0.810 284 V N 5.237 125.142 119.914 -0.015 0.000 2.408 284 V HA -0.003 4.118 4.120 0.000 0.000 0.267 284 V C 1.487 177.552 176.094 -0.049 0.000 1.047 284 V CA 0.167 62.452 62.300 -0.025 0.000 0.937 284 V CB 1.170 32.977 31.823 -0.027 0.000 0.999 284 V HN 0.401 nan 8.190 nan 0.000 0.472 285 V N 5.429 125.291 119.914 -0.087 0.000 2.426 285 V HA 0.181 4.301 4.120 0.000 0.000 0.242 285 V C 0.278 176.268 176.094 -0.173 0.000 1.036 285 V CA 1.011 63.206 62.300 -0.174 0.000 1.044 285 V CB 0.221 31.808 31.823 -0.394 0.000 0.688 285 V HN 0.623 nan 8.190 nan 0.000 0.462 286 L N -0.841 120.297 121.223 -0.141 0.000 2.588 286 L HA 0.471 4.811 4.340 0.000 0.000 0.263 286 L C -0.406 176.429 176.870 -0.058 0.000 0.935 286 L CA -0.092 54.685 54.840 -0.105 0.000 0.891 286 L CB 1.877 43.870 42.059 -0.110 0.000 1.318 286 L HN -0.049 nan 8.230 nan 0.000 0.409 287 S N 3.902 119.554 115.700 -0.080 0.000 2.481 287 S HA 0.262 4.732 4.470 0.000 0.000 0.282 287 S C -0.565 173.967 174.600 -0.112 0.000 1.243 287 S CA 0.087 58.246 58.200 -0.068 0.000 1.078 287 S CB -0.319 62.833 63.200 -0.079 0.000 0.916 287 S HN 0.609 nan 8.310 nan 0.000 0.495 288 H N 6.089 125.115 119.070 -0.074 0.000 2.791 288 H HA 0.289 4.845 4.556 0.000 0.000 0.272 288 H C -2.109 173.141 175.328 -0.130 0.000 1.188 288 H CA -1.776 54.227 56.048 -0.075 0.000 1.436 288 H CB 1.685 31.425 29.762 -0.036 0.000 1.467 288 H HN 0.441 nan 8.280 nan 0.000 0.500 289 P HA -0.173 nan 4.420 nan 0.000 0.217 289 P C 0.524 177.556 177.300 -0.446 0.000 1.151 289 P CA 1.546 64.404 63.100 -0.403 0.000 0.849 289 P CB 0.013 31.285 31.700 -0.714 0.000 0.787 290 Y N -2.399 117.955 120.300 0.091 0.000 2.468 290 Y HA 0.147 4.697 4.550 0.000 0.000 0.268 290 Y C 0.773 176.677 175.900 0.006 0.000 1.177 290 Y CA -0.739 57.394 58.100 0.055 0.000 1.265 290 Y CB -0.042 38.538 38.460 0.201 0.000 1.103 290 Y HN -0.324 nan 8.280 nan 0.000 0.522 291 V N 1.255 121.212 119.914 0.072 0.000 2.485 291 V HA 0.193 4.313 4.120 0.000 0.000 0.287 291 V C 1.168 177.236 176.094 -0.043 0.000 1.022 291 V CA 1.183 63.485 62.300 0.003 0.000 1.067 291 V CB 0.225 32.031 31.823 -0.028 0.000 0.967 291 V HN 0.724 nan 8.190 nan 0.000 0.479 292 G N 3.715 112.494 108.800 -0.035 0.000 2.176 292 G HA2 -0.175 3.785 3.960 0.000 0.000 0.253 292 G HA3 -0.175 3.785 3.960 0.000 0.000 0.253 292 G C 0.126 174.960 174.900 -0.110 0.000 0.979 292 G CA -0.166 44.884 45.100 -0.083 0.000 0.641 292 G HN 0.576 nan 8.290 nan 0.000 0.530 293 Q N -1.068 118.673 119.800 -0.098 0.000 2.215 293 Q HA 0.677 5.017 4.340 0.000 0.000 0.256 293 Q C 0.751 176.631 176.000 -0.199 0.000 0.972 293 Q CA -0.835 54.791 55.803 -0.295 0.000 0.889 293 Q CB 0.455 28.900 28.738 -0.488 0.000 1.281 293 Q HN 0.728 nan 8.270 nan 0.000 0.456 294 F N -0.319 119.584 119.950 -0.079 0.000 2.905 294 F HA -0.212 4.315 4.527 0.000 0.000 0.311 294 F C -0.390 175.436 175.800 0.043 0.000 1.005 294 F CA -0.318 57.556 58.000 -0.210 0.000 1.029 294 F CB -1.041 37.812 39.000 -0.245 0.000 1.151 294 F HN 0.266 nan 8.300 nan 0.000 0.805 295 L N 2.394 123.710 121.223 0.156 0.000 2.265 295 L HA 0.355 4.695 4.340 0.000 0.000 0.288 295 L C 0.598 177.619 176.870 0.252 0.000 1.058 295 L CA 0.308 55.292 54.840 0.240 0.000 0.809 295 L CB 0.606 42.758 42.059 0.156 0.000 1.179 295 L HN 0.299 nan 8.230 nan 0.000 0.429 296 H N 2.348 121.469 119.070 0.084 0.000 2.495 296 H HA 0.318 4.874 4.556 0.000 0.000 0.348 296 H C -1.080 174.069 175.328 -0.297 0.000 1.113 296 H CA -0.698 55.305 56.048 -0.076 0.000 1.195 296 H CB 2.941 32.558 29.762 -0.242 0.000 1.521 296 H HN 0.415 nan 8.280 nan 0.000 0.509 297 D N 2.266 122.525 120.400 -0.234 0.000 2.575 297 D HA 0.123 4.763 4.640 0.000 0.000 0.250 297 D C -0.933 175.347 176.300 -0.034 0.000 1.279 297 D CA -0.652 53.124 54.000 -0.372 0.000 0.925 297 D CB 0.690 40.714 40.800 -1.294 0.000 1.261 297 D HN 0.419 nan 8.370 nan 0.000 0.567 298 N N 4.533 123.314 118.700 0.136 0.000 2.447 298 N HA 0.182 4.922 4.740 0.000 0.000 0.263 298 N C -2.246 173.343 175.510 0.130 0.000 1.226 298 N CA -0.499 52.637 53.050 0.143 0.000 0.906 298 N CB 0.552 39.116 38.487 0.127 0.000 1.060 298 N HN 0.302 nan 8.380 nan 0.000 0.468 299 P HA 0.109 nan 4.420 nan 0.000 0.275 299 P C -0.827 176.533 177.300 0.100 0.000 1.228 299 P CA -0.275 62.859 63.100 0.057 0.000 0.786 299 P CB 0.964 32.594 31.700 -0.115 0.000 0.927 300 R N 2.573 123.115 120.500 0.071 0.000 2.387 300 R HA 0.447 4.787 4.340 0.000 0.000 0.314 300 R C -0.951 175.448 176.300 0.166 0.000 0.958 300 R CA -0.520 55.693 56.100 0.187 0.000 0.846 300 R CB 0.681 30.978 30.300 -0.004 0.000 1.147 300 R HN 0.421 nan 8.270 nan 0.000 0.447 301 N N 3.046 121.869 118.700 0.206 0.000 2.265 301 N HA 0.568 5.308 4.740 0.000 0.000 0.300 301 N C -1.549 174.072 175.510 0.186 0.000 1.148 301 N CA -0.399 52.694 53.050 0.071 0.000 0.772 301 N CB 1.566 40.114 38.487 0.100 0.000 1.434 301 N HN 0.450 nan 8.380 nan 0.000 0.481 302 F N -1.059 118.986 119.950 0.158 0.000 2.779 302 F HA 0.705 5.232 4.527 0.000 0.000 0.316 302 F C -1.908 174.028 175.800 0.227 0.000 1.164 302 F CA -1.079 56.977 58.000 0.094 0.000 0.924 302 F CB 1.155 40.043 39.000 -0.187 0.000 1.348 302 F HN 0.084 nan 8.300 nan 0.000 0.467 303 I N 2.508 123.347 120.570 0.448 0.000 2.534 303 I HA 0.308 4.478 4.170 0.000 0.000 0.288 303 I C -1.522 174.897 176.117 0.505 0.000 1.077 303 I CA -0.814 60.718 61.300 0.387 0.000 1.051 303 I CB 1.839 39.918 38.000 0.132 0.000 1.234 303 I HN 0.616 nan 8.210 nan 0.000 0.425 304 N N 7.244 126.268 118.700 0.541 0.000 2.419 304 N HA 0.569 5.309 4.740 0.000 0.000 0.277 304 N C -0.454 175.280 175.510 0.375 0.000 1.006 304 N CA -0.343 53.047 53.050 0.567 0.000 0.923 304 N CB 2.605 41.449 38.487 0.595 0.000 1.140 304 N HN 0.577 nan 8.380 nan 0.000 0.488 305 I N -1.309 119.482 120.570 0.368 0.000 2.530 305 I HA 0.544 4.715 4.170 0.000 0.000 0.297 305 I C -0.980 175.299 176.117 0.270 0.000 1.011 305 I CA -1.004 60.459 61.300 0.272 0.000 1.107 305 I CB 1.528 39.657 38.000 0.215 0.000 1.285 305 I HN 0.175 nan 8.210 nan 0.000 0.436 306 L N 6.487 127.854 121.223 0.239 0.000 2.313 306 L HA 0.528 4.868 4.340 0.000 0.000 0.273 306 L C -2.328 174.658 176.870 0.193 0.000 1.028 306 L CA -1.620 53.328 54.840 0.179 0.000 0.871 306 L CB 0.987 43.118 42.059 0.122 0.000 1.242 306 L HN 0.414 nan 8.230 nan 0.000 0.434 307 P HA 0.067 nan 4.420 nan 0.000 0.269 307 P C -1.808 175.583 177.300 0.152 0.000 1.215 307 P CA -0.978 62.269 63.100 0.244 0.000 0.780 307 P CB 0.227 32.104 31.700 0.295 0.000 0.898 308 P HA -0.085 nan 4.420 nan 0.000 0.223 308 P C -0.249 177.086 177.300 0.058 0.000 1.151 308 P CA 1.450 64.591 63.100 0.068 0.000 0.787 308 P CB 0.420 32.142 31.700 0.037 0.000 0.788 309 N N 0.321 119.068 118.700 0.079 0.000 2.319 309 N HA 0.341 5.081 4.740 0.000 0.000 0.305 309 N C -2.727 172.834 175.510 0.086 0.000 1.103 309 N CA -1.853 51.238 53.050 0.069 0.000 0.815 309 N CB 1.067 39.589 38.487 0.058 0.000 1.288 309 N HN -0.082 nan 8.380 nan 0.000 0.493 310 P HA 0.135 nan 4.420 nan 0.000 0.266 310 P C -0.398 176.921 177.300 0.032 0.000 1.195 310 P CA 0.109 63.224 63.100 0.025 0.000 0.768 310 P CB 0.435 32.144 31.700 0.014 0.000 0.838 311 I N -0.985 119.556 120.570 -0.049 0.000 2.740 311 I HA 0.588 4.758 4.170 0.000 0.000 0.303 311 I C 0.135 176.172 176.117 -0.134 0.000 1.044 311 I CA -1.376 59.871 61.300 -0.088 0.000 1.064 311 I CB 2.127 39.926 38.000 -0.334 0.000 1.249 311 I HN 0.186 nan 8.210 nan 0.000 0.433 312 E N 4.031 124.184 120.200 -0.078 0.000 2.313 312 E HA 0.496 4.846 4.350 0.000 0.000 0.272 312 E C -2.837 173.668 176.600 -0.157 0.000 1.038 312 E CA -2.295 54.054 56.400 -0.084 0.000 0.863 312 E CB 0.661 30.351 29.700 -0.016 0.000 1.060 312 E HN 0.372 nan 8.360 nan 0.000 0.402 313 P HA 0.141 nan 4.420 nan 0.000 0.271 313 P C -0.676 176.545 177.300 -0.131 0.000 1.218 313 P CA 0.176 63.137 63.100 -0.230 0.000 0.780 313 P CB 0.727 32.330 31.700 -0.163 0.000 0.901 314 T N -0.820 113.657 114.554 -0.128 0.000 2.864 314 T HA 0.722 5.072 4.350 0.000 0.000 0.299 314 T C -0.128 174.637 174.700 0.108 0.000 1.166 314 T CA -1.004 61.103 62.100 0.012 0.000 1.007 314 T CB 0.792 69.715 68.868 0.091 0.000 1.219 314 T HN 0.343 nan 8.240 nan 0.000 0.506 315 I N -0.298 120.339 120.570 0.111 0.000 2.428 315 I HA 0.731 4.901 4.170 0.000 0.000 0.296 315 I C -0.218 176.027 176.117 0.214 0.000 0.985 315 I CA -1.427 59.965 61.300 0.153 0.000 1.260 315 I CB 1.263 39.312 38.000 0.081 0.000 1.389 315 I HN 0.390 nan 8.210 nan 0.000 0.484 316 V N 5.107 125.168 119.914 0.245 0.000 2.529 316 V HA 0.088 4.208 4.120 0.000 0.000 0.292 316 V C 1.277 177.470 176.094 0.165 0.000 1.028 316 V CA 1.053 63.488 62.300 0.226 0.000 1.074 316 V CB 0.530 32.486 31.823 0.222 0.000 0.958 316 V HN 1.097 nan 8.190 nan 0.000 0.481 317 T N 1.080 115.730 114.554 0.161 0.000 3.051 317 T HA 0.163 4.513 4.350 0.000 0.000 0.254 317 T C 0.151 174.934 174.700 0.138 0.000 0.916 317 T CA -0.053 62.134 62.100 0.144 0.000 0.894 317 T CB 0.266 69.230 68.868 0.159 0.000 1.251 317 T HN 0.228 nan 8.240 nan 0.000 0.517 318 V N 3.428 123.440 119.914 0.162 0.000 2.406 318 V HA 0.526 4.646 4.120 0.000 0.000 0.272 318 V C -0.413 175.807 176.094 0.210 0.000 1.043 318 V CA -0.626 61.783 62.300 0.182 0.000 0.915 318 V CB 0.988 32.939 31.823 0.214 0.000 0.988 318 V HN 0.418 nan 8.190 nan 0.000 0.466 319 L N 4.512 125.787 121.223 0.086 0.000 2.346 319 L HA 0.736 5.077 4.340 0.000 0.000 0.276 319 L C 0.570 177.241 176.870 -0.332 0.000 1.006 319 L CA -0.529 54.304 54.840 -0.012 0.000 0.817 319 L CB 1.953 44.006 42.059 -0.009 0.000 1.272 319 L HN 0.699 nan 8.230 nan 0.000 0.421 320 G N 4.414 112.776 108.800 -0.730 0.000 2.603 320 G HA2 0.541 4.501 3.960 0.000 0.000 0.324 320 G HA3 0.541 4.501 3.960 0.000 0.000 0.324 320 G C -0.468 174.166 174.900 -0.445 0.000 1.178 320 G CA -0.276 44.111 45.100 -1.188 0.000 1.023 320 G HN 0.263 nan 8.290 nan 0.000 0.482 321 I N 1.942 122.333 120.570 -0.299 0.000 2.321 321 I HA 0.384 4.554 4.170 0.000 0.000 0.291 321 I C 0.321 176.304 176.117 -0.224 0.000 0.998 321 I CA -0.321 60.863 61.300 -0.192 0.000 1.227 321 I CB 1.035 38.826 38.000 -0.348 0.000 1.368 321 I HN 0.191 nan 8.210 nan 0.000 0.466 322 S N 4.456 119.978 115.700 -0.296 0.000 2.689 322 S HA 0.387 4.857 4.470 0.000 0.000 0.306 322 S C 1.057 175.400 174.600 -0.429 0.000 1.104 322 S CA -0.654 57.229 58.200 -0.528 0.000 0.973 322 S CB 1.709 64.183 63.200 -1.210 0.000 1.121 322 S HN 0.576 nan 8.310 nan 0.000 0.523 323 N N 0.920 119.376 118.700 -0.406 0.000 2.188 323 N HA -0.083 4.658 4.740 0.000 0.000 0.184 323 N C 0.368 175.655 175.510 -0.371 0.000 1.018 323 N CA 1.058 53.944 53.050 -0.272 0.000 0.858 323 N CB 0.093 38.445 38.487 -0.225 0.000 0.989 323 N HN 0.482 nan 8.380 nan 0.000 0.426 324 D N -0.829 119.197 120.400 -0.623 0.000 2.379 324 D HA 0.096 4.736 4.640 0.000 0.000 0.208 324 D C -0.420 175.566 176.300 -0.524 0.000 1.065 324 D CA 0.294 53.880 54.000 -0.690 0.000 0.848 324 D CB 0.460 40.686 40.800 -0.957 0.000 0.949 324 D HN 0.254 nan 8.370 nan 0.000 0.509 325 F N -0.846 118.784 119.950 -0.534 0.000 2.678 325 F HA 0.509 5.035 4.527 -0.000 0.000 0.308 325 F C -1.739 173.774 175.800 -0.480 0.000 1.118 325 F CA -1.760 55.883 58.000 -0.596 0.000 0.959 325 F CB 0.462 39.318 39.000 -0.239 0.000 1.305 325 F HN -0.308 nan 8.300 nan 0.000 0.443 326 Y N 0.956 121.335 120.300 0.132 0.000 2.409 326 Y HA 0.705 5.255 4.550 0.000 0.000 0.343 326 Y C -0.381 175.612 175.900 0.155 0.000 0.973 326 Y CA -1.024 57.105 58.100 0.048 0.000 1.064 326 Y CB 2.129 40.563 38.460 -0.044 0.000 1.207 326 Y HN 0.605 nan 8.280 nan 0.000 0.452 327 Q N 2.573 122.576 119.800 0.337 0.000 2.484 327 Q HA 0.818 5.158 4.340 0.000 0.000 0.285 327 Q C -1.068 175.255 176.000 0.538 0.000 1.097 327 Q CA -1.001 55.076 55.803 0.458 0.000 0.802 327 Q CB 3.036 32.135 28.738 0.602 0.000 1.444 327 Q HN 0.927 nan 8.270 nan 0.000 0.429 328 C N -1.914 117.770 119.300 0.640 0.000 3.249 328 C HA 0.875 5.335 4.460 0.000 0.000 0.350 328 C C -1.118 174.110 174.990 0.397 0.000 1.431 328 C CA -0.817 58.551 59.018 0.583 0.000 1.209 328 C CB 1.468 29.494 27.740 0.476 0.000 1.546 328 C HN 0.783 nan 8.230 nan 0.000 0.450 329 S N 0.053 115.905 115.700 0.253 0.000 2.619 329 S HA 0.728 5.198 4.470 0.000 0.000 0.280 329 S C -1.594 173.158 174.600 0.254 0.000 1.150 329 S CA -0.185 58.033 58.200 0.030 0.000 0.978 329 S CB 1.043 63.992 63.200 -0.418 0.000 1.041 329 S HN 1.334 nan 8.310 nan 0.000 0.485 330 F N 5.106 125.107 119.950 0.085 0.000 2.444 330 F HA 0.692 5.219 4.527 0.000 0.000 0.342 330 F C -0.081 175.623 175.800 -0.161 0.000 1.121 330 F CA -0.682 57.364 58.000 0.078 0.000 0.997 330 F CB 1.573 40.693 39.000 0.201 0.000 1.130 330 F HN 0.515 nan 8.300 nan 0.000 0.454 331 S N 4.121 119.358 115.700 -0.771 0.000 2.475 331 S HA 0.807 5.278 4.470 0.000 0.000 0.298 331 S C -0.499 173.317 174.600 -1.305 0.000 1.119 331 S CA -0.534 57.010 58.200 -1.094 0.000 1.085 331 S CB 1.628 64.232 63.200 -0.993 0.000 1.028 331 S HN 0.849 nan 8.310 nan 0.000 0.489 332 S N 2.078 117.027 115.700 -1.253 0.000 2.638 332 S HA 0.608 5.078 4.470 0.000 0.000 0.274 332 S C -0.843 173.491 174.600 -0.444 0.000 1.157 332 S CA -0.968 56.717 58.200 -0.860 0.000 0.826 332 S CB 0.681 63.347 63.200 -0.890 0.000 1.139 332 S HN 0.768 nan 8.310 nan 0.000 0.474 333 L N 3.109 124.235 121.223 -0.162 0.000 2.466 333 L HA 0.428 4.768 4.340 0.000 0.000 0.257 333 L C -1.729 175.181 176.870 0.066 0.000 1.189 333 L CA -1.923 52.900 54.840 -0.029 0.000 0.813 333 L CB 0.339 42.414 42.059 0.027 0.000 1.118 333 L HN 0.573 nan 8.230 nan 0.000 0.471 334 P HA -0.042 nan 4.420 nan 0.000 0.269 334 P C -1.064 176.354 177.300 0.197 0.000 1.217 334 P CA 0.276 63.398 63.100 0.037 0.000 0.783 334 P CB 0.299 32.015 31.700 0.027 0.000 0.898 335 F N 0.395 120.367 119.950 0.037 0.000 2.405 335 F HA 0.112 4.639 4.527 0.000 0.000 0.355 335 F C 2.066 177.876 175.800 0.016 0.000 1.121 335 F CA -0.574 57.434 58.000 0.012 0.000 1.112 335 F CB 1.264 40.259 39.000 -0.009 0.000 1.126 335 F HN 0.320 nan 8.300 nan 0.000 0.481 336 T N -1.879 112.795 114.554 0.201 0.000 2.937 336 T HA -0.012 4.338 4.350 0.000 0.000 0.260 336 T C 0.771 175.525 174.700 0.090 0.000 1.051 336 T CA 0.884 63.053 62.100 0.115 0.000 1.141 336 T CB -0.110 68.808 68.868 0.083 0.000 0.879 336 T HN 0.589 nan 8.240 nan 0.000 0.459 337 T N -0.522 114.068 114.554 0.060 0.000 2.906 337 T HA 0.649 4.999 4.350 0.000 0.000 0.295 337 T C -3.451 171.244 174.700 -0.010 0.000 1.075 337 T CA -2.381 59.735 62.100 0.026 0.000 1.005 337 T CB 1.947 70.804 68.868 -0.018 0.000 1.136 337 T HN -0.131 nan 8.240 nan 0.000 0.498 338 P HA 0.366 nan 4.420 nan 0.000 0.276 338 P C -2.688 174.521 177.300 -0.151 0.000 1.243 338 P CA -1.391 61.709 63.100 -0.001 0.000 0.768 338 P CB -0.329 31.445 31.700 0.123 0.000 0.856 339 P HA 0.199 nan 4.420 nan 0.000 0.284 339 P C -0.499 176.692 177.300 -0.182 0.000 1.343 339 P CA -0.385 62.459 63.100 -0.427 0.000 0.826 339 P CB -0.039 31.161 31.700 -0.833 0.000 0.956 340 F N 3.502 123.330 119.950 -0.204 0.000 2.612 340 F HA 0.229 4.757 4.527 0.000 0.000 0.389 340 F C 1.661 177.409 175.800 -0.087 0.000 1.055 340 F CA 2.285 60.218 58.000 -0.111 0.000 1.232 340 F CB -0.043 38.892 39.000 -0.108 0.000 1.044 340 F HN 0.690 nan 8.300 nan 0.000 0.560 341 G N 4.765 113.243 108.800 -0.537 0.000 2.258 341 G HA2 -0.398 3.562 3.960 0.000 0.000 0.233 341 G HA3 -0.398 3.562 3.960 0.000 0.000 0.233 341 G C 0.907 175.883 174.900 0.127 0.000 1.006 341 G CA 0.343 45.343 45.100 -0.167 0.000 0.620 341 G HN 0.679 nan 8.290 nan 0.000 0.511 342 F N 0.977 120.840 119.950 -0.145 0.000 2.075 342 F HA 0.404 4.931 4.527 0.000 0.000 0.297 342 F C 1.216 176.693 175.800 -0.538 0.000 1.113 342 F CA 1.376 59.220 58.000 -0.259 0.000 1.218 342 F CB -0.055 38.581 39.000 -0.606 0.000 0.984 342 F HN 0.146 nan 8.300 nan 0.000 0.472 343 F N 0.639 120.529 119.950 -0.100 0.000 2.425 343 F HA 0.287 4.814 4.527 0.000 0.000 0.331 343 F C -1.084 174.585 175.800 -0.219 0.000 1.085 343 F CA -2.242 55.556 58.000 -0.337 0.000 1.028 343 F CB 0.736 39.406 39.000 -0.550 0.000 1.177 343 F HN -0.229 nan 8.300 nan 0.000 0.487 344 P HA -0.074 nan 4.420 nan 0.000 0.222 344 P C -0.319 176.970 177.300 -0.017 0.000 1.147 344 P CA 0.995 64.091 63.100 -0.008 0.000 0.790 344 P CB 0.398 32.114 31.700 0.027 0.000 0.780 345 S N -1.081 114.660 115.700 0.069 0.000 2.595 345 S HA 0.283 4.753 4.470 0.000 0.000 0.281 345 S C 0.887 175.561 174.600 0.123 0.000 1.117 345 S CA -0.302 57.944 58.200 0.078 0.000 0.873 345 S CB 1.733 65.004 63.200 0.117 0.000 1.108 345 S HN 0.063 nan 8.310 nan 0.000 0.477 346 S N 0.297 116.071 115.700 0.123 0.000 2.522 346 S HA -0.060 4.410 4.470 0.000 0.000 0.227 346 S C 1.373 176.071 174.600 0.164 0.000 0.986 346 S CA 0.772 59.069 58.200 0.162 0.000 0.929 346 S CB -0.431 62.882 63.200 0.187 0.000 0.769 346 S HN 0.753 nan 8.310 nan 0.000 0.529 347 S N -0.498 115.290 115.700 0.145 0.000 2.634 347 S HA 0.240 4.711 4.470 0.000 0.000 0.221 347 S C 0.071 174.733 174.600 0.102 0.000 0.952 347 S CA -0.841 57.422 58.200 0.105 0.000 0.930 347 S CB -0.834 62.405 63.200 0.064 0.000 0.780 347 S HN 0.524 nan 8.310 nan 0.000 0.498 348 Y N 4.478 124.794 120.300 0.026 0.000 2.497 348 Y HA 0.313 4.863 4.550 0.000 0.000 0.334 348 Y C -1.997 173.856 175.900 -0.079 0.000 1.199 348 Y CA -1.820 56.246 58.100 -0.057 0.000 1.425 348 Y CB 0.506 38.912 38.460 -0.089 0.000 1.291 348 Y HN 0.191 nan 8.280 nan 0.000 0.562 349 P HA 0.105 nan 4.420 nan 0.000 0.271 349 P C -1.089 176.197 177.300 -0.024 0.000 1.220 349 P CA 0.157 63.154 63.100 -0.171 0.000 0.768 349 P CB 0.864 32.389 31.700 -0.293 0.000 0.848 350 L N 5.556 126.813 121.223 0.057 0.000 2.375 350 L HA 0.379 4.719 4.340 0.000 0.000 0.271 350 L C -1.672 175.172 176.870 -0.043 0.000 1.107 350 L CA -2.189 52.721 54.840 0.117 0.000 0.806 350 L CB 0.840 43.011 42.059 0.188 0.000 1.146 350 L HN 0.262 nan 8.230 nan 0.000 0.447 351 P HA 0.089 nan 4.420 nan 0.000 0.282 351 P C -0.706 176.503 177.300 -0.151 0.000 1.262 351 P CA -0.389 62.515 63.100 -0.327 0.000 0.773 351 P CB 0.722 31.887 31.700 -0.891 0.000 0.879 352 N N 1.057 119.711 118.700 -0.077 0.000 2.336 352 N HA -0.004 4.736 4.740 0.000 0.000 0.189 352 N C 0.023 175.528 175.510 -0.008 0.000 1.113 352 N CA -0.239 52.798 53.050 -0.022 0.000 0.858 352 N CB -0.040 38.441 38.487 -0.009 0.000 0.970 352 N HN 0.363 nan 8.380 nan 0.000 0.471 353 S N -1.827 113.864 115.700 -0.014 0.000 2.705 353 S HA 0.520 4.990 4.470 0.000 0.000 0.280 353 S C -0.400 174.224 174.600 0.040 0.000 1.174 353 S CA -0.633 57.575 58.200 0.012 0.000 0.823 353 S CB 0.512 63.723 63.200 0.018 0.000 1.162 353 S HN 0.268 nan 8.310 nan 0.000 0.487 354 T N 0.106 114.671 114.554 0.020 0.000 2.932 354 T HA 0.493 4.843 4.350 0.000 0.000 0.312 354 T C -0.215 174.510 174.700 0.041 0.000 1.071 354 T CA -0.238 61.850 62.100 -0.020 0.000 1.128 354 T CB -0.721 68.081 68.868 -0.110 0.000 0.984 354 T HN 1.299 nan 8.240 nan 0.000 0.549 355 F N -0.857 118.912 119.950 -0.301 0.000 2.685 355 F HA 0.805 5.332 4.527 0.000 0.000 0.315 355 F C -1.116 174.447 175.800 -0.394 0.000 1.126 355 F CA -1.711 56.126 58.000 -0.270 0.000 0.950 355 F CB 1.024 39.925 39.000 -0.165 0.000 1.360 355 F HN 0.830 nan 8.300 nan 0.000 0.469 356 A N 1.131 123.747 122.820 -0.340 0.000 2.343 356 A HA 0.594 4.914 4.320 0.000 0.000 0.316 356 A C -2.038 175.570 177.584 0.039 0.000 1.104 356 A CA -0.636 51.110 52.037 -0.486 0.000 0.768 356 A CB 0.513 19.186 19.000 -0.546 0.000 1.213 356 A HN 1.002 nan 8.150 nan 0.000 0.456 357 H N 1.886 120.904 119.070 -0.086 0.000 2.661 357 H HA 0.573 5.129 4.556 0.000 0.000 0.290 357 H C -1.661 173.766 175.328 0.165 0.000 1.082 357 H CA -0.603 55.611 56.048 0.277 0.000 1.234 357 H CB 0.011 30.068 29.762 0.492 0.000 1.387 357 H HN 0.442 nan 8.280 nan 0.000 0.476 358 F N 4.034 124.046 119.950 0.103 0.000 2.413 358 F HA 0.481 5.008 4.527 0.000 0.000 0.359 358 F C 0.547 176.355 175.800 0.013 0.000 1.122 358 F CA -0.219 57.840 58.000 0.098 0.000 1.160 358 F CB 0.808 39.852 39.000 0.072 0.000 1.146 358 F HN 0.609 nan 8.300 nan 0.000 0.514 359 A N 2.576 125.527 122.820 0.219 0.000 2.340 359 A HA 0.743 5.063 4.320 0.000 0.000 0.331 359 A C -0.542 177.271 177.584 0.383 0.000 1.140 359 A CA -0.623 51.558 52.037 0.241 0.000 0.801 359 A CB 1.536 20.655 19.000 0.198 0.000 1.234 359 A HN 0.533 nan 8.150 nan 0.000 0.469 360 S N 0.708 116.621 115.700 0.354 0.000 2.594 360 S HA 0.516 4.986 4.470 0.000 0.000 0.296 360 S C -0.835 173.901 174.600 0.228 0.000 1.124 360 S CA -0.629 57.738 58.200 0.279 0.000 1.011 360 S CB 0.706 63.999 63.200 0.154 0.000 1.016 360 S HN 0.722 nan 8.310 nan 0.000 0.485 361 K N 4.593 125.026 120.400 0.054 0.000 2.265 361 K HA 0.548 4.869 4.320 0.000 0.000 0.267 361 K C -0.960 175.546 176.600 -0.158 0.000 0.994 361 K CA -0.637 55.541 56.287 -0.182 0.000 0.860 361 K CB 1.194 33.218 32.500 -0.793 0.000 1.099 361 K HN 0.487 nan 8.250 nan 0.000 0.448 362 V N 3.764 123.653 119.914 -0.043 0.000 2.555 362 V HA 0.169 4.289 4.120 0.000 0.000 0.286 362 V C 0.654 176.667 176.094 -0.134 0.000 1.044 362 V CA -0.376 61.915 62.300 -0.015 0.000 1.026 362 V CB 0.902 32.825 31.823 0.167 0.000 0.981 362 V HN 0.978 nan 8.190 nan 0.000 0.480 363 A N 4.129 126.775 122.820 -0.290 0.000 2.448 363 A HA 0.633 4.953 4.320 0.000 0.000 0.239 363 A C 1.286 178.877 177.584 0.010 0.000 1.080 363 A CA 0.699 52.601 52.037 -0.224 0.000 0.779 363 A CB -0.236 18.587 19.000 -0.295 0.000 1.026 363 A HN 2.016 nan 8.150 nan 0.000 0.499 364 G N 0.571 109.402 108.800 0.052 0.000 3.076 364 G HA2 -0.154 3.807 3.960 0.000 0.000 0.256 364 G HA3 -0.154 3.807 3.960 0.000 0.000 0.256 364 G C -2.614 172.532 174.900 0.410 0.000 1.589 364 G CA 0.057 45.226 45.100 0.115 0.000 1.044 364 G HN 1.037 nan 8.290 nan 0.000 0.563 365 P HA 0.553 nan 4.420 nan 0.000 0.283 365 P C 0.925 178.532 177.300 0.511 0.000 1.271 365 P CA -0.606 62.701 63.100 0.344 0.000 0.841 365 P CB 1.365 33.218 31.700 0.256 0.000 1.122 366 L N -0.466 120.965 121.223 0.348 0.000 2.240 366 L HA 0.008 4.348 4.340 0.000 0.000 0.211 366 L C 1.324 178.439 176.870 0.408 0.000 1.106 366 L CA 0.955 56.041 54.840 0.411 0.000 0.793 366 L CB -0.502 41.685 42.059 0.214 0.000 0.927 366 L HN 0.341 nan 8.230 nan 0.000 0.446 367 S N -0.482 115.359 115.700 0.234 0.000 2.576 367 S HA 0.345 4.815 4.470 0.000 0.000 0.276 367 S C -0.676 173.921 174.600 -0.005 0.000 1.339 367 S CA -0.287 57.939 58.200 0.043 0.000 1.039 367 S CB 0.603 63.790 63.200 -0.022 0.000 0.902 367 S HN 0.245 nan 8.310 nan 0.000 0.516 368 Y N -1.465 118.728 120.300 -0.178 0.000 2.656 368 Y HA 0.830 5.380 4.550 -0.000 0.000 0.334 368 Y C -0.084 175.704 175.900 -0.187 0.000 1.179 368 Y CA -1.059 56.829 58.100 -0.354 0.000 1.050 368 Y CB 0.669 38.687 38.460 -0.738 0.000 1.308 368 Y HN 0.733 nan 8.280 nan 0.000 0.456 369 G N 0.319 109.157 108.800 0.063 0.000 3.183 369 G HA2 0.693 4.653 3.960 0.000 0.000 0.247 369 G HA3 0.693 4.653 3.960 0.000 0.000 0.247 369 G C -1.274 173.615 174.900 -0.019 0.000 1.211 369 G CA -0.561 44.515 45.100 -0.039 0.000 0.835 369 G HN 1.381 nan 8.290 nan 0.000 0.604 370 S N -1.754 113.866 115.700 -0.133 0.000 2.638 370 S HA 0.746 5.216 4.470 0.000 0.000 0.274 370 S C -1.385 173.094 174.600 -0.202 0.000 1.157 370 S CA -0.684 57.423 58.200 -0.156 0.000 0.826 370 S CB 1.711 64.807 63.200 -0.173 0.000 1.139 370 S HN 1.124 nan 8.310 nan 0.000 0.474 371 L N 1.780 122.891 121.223 -0.188 0.000 2.346 371 L HA 0.844 5.185 4.340 0.000 0.000 0.276 371 L C -0.692 176.057 176.870 -0.201 0.000 1.006 371 L CA -0.084 54.643 54.840 -0.188 0.000 0.817 371 L CB 1.971 43.941 42.059 -0.148 0.000 1.272 371 L HN 1.149 nan 8.230 nan 0.000 0.421 372 T N 1.865 116.322 114.554 -0.161 0.000 2.906 372 T HA 0.533 4.883 4.350 0.000 0.000 0.295 372 T C -0.332 174.367 174.700 -0.003 0.000 1.075 372 T CA -0.909 61.117 62.100 -0.125 0.000 1.005 372 T CB 1.352 70.167 68.868 -0.088 0.000 1.136 372 T HN 0.492 nan 8.240 nan 0.000 0.498 373 L N 1.780 123.082 121.223 0.131 0.000 2.417 373 L HA 0.442 4.782 4.340 0.000 0.000 0.268 373 L C 1.446 178.356 176.870 0.066 0.000 1.158 373 L CA -0.656 54.243 54.840 0.098 0.000 0.819 373 L CB 0.674 42.815 42.059 0.137 0.000 1.112 373 L HN 0.761 nan 8.230 nan 0.000 0.458 374 K N 0.589 121.005 120.400 0.027 0.000 2.354 374 K HA 0.116 4.436 4.320 0.000 0.000 0.194 374 K C 0.169 176.778 176.600 0.015 0.000 1.045 374 K CA 0.174 56.472 56.287 0.018 0.000 1.026 374 K CB 0.553 33.057 32.500 0.006 0.000 0.866 374 K HN 0.475 nan 8.250 nan 0.000 0.530 375 S N -0.577 115.132 115.700 0.015 0.000 2.571 375 S HA 0.272 4.742 4.470 0.000 0.000 0.284 375 S C 0.218 174.823 174.600 0.008 0.000 1.128 375 S CA -0.396 57.809 58.200 0.007 0.000 0.970 375 S CB 1.346 64.550 63.200 0.006 0.000 1.039 375 S HN 0.224 nan 8.310 nan 0.000 0.485 376 S N 2.707 118.403 115.700 -0.006 0.000 2.603 376 S HA 0.058 4.528 4.470 0.000 0.000 0.220 376 S C 1.156 175.753 174.600 -0.005 0.000 0.967 376 S CA 0.754 58.944 58.200 -0.016 0.000 0.920 376 S CB -0.234 62.939 63.200 -0.046 0.000 0.773 376 S HN 0.991 nan 8.310 nan 0.000 0.529 377 S N -0.333 115.368 115.700 0.002 0.000 2.648 377 S HA 0.283 4.753 4.470 0.000 0.000 0.270 377 S C 0.018 174.624 174.600 0.011 0.000 1.082 377 S CA -0.467 57.737 58.200 0.006 0.000 1.116 377 S CB -0.401 62.800 63.200 0.002 0.000 1.040 377 S HN 0.312 nan 8.310 nan 0.000 0.572 378 N N 2.093 120.799 118.700 0.010 0.000 2.485 378 N HA 0.305 5.045 4.740 0.000 0.000 0.243 378 N C 0.571 176.089 175.510 0.013 0.000 0.987 378 N CA -0.127 52.930 53.050 0.012 0.000 0.940 378 N CB 1.616 40.109 38.487 0.009 0.000 1.122 378 N HN 0.103 nan 8.380 nan 0.000 0.509 379 V N 4.969 124.893 119.914 0.017 0.000 3.078 379 V HA -0.028 4.092 4.120 0.000 0.000 0.265 379 V C 1.752 177.853 176.094 0.012 0.000 1.122 379 V CA 1.502 63.811 62.300 0.015 0.000 1.141 379 V CB -0.293 31.543 31.823 0.021 0.000 0.735 379 V HN 0.579 nan 8.190 nan 0.000 0.498 380 R N -0.777 119.731 120.500 0.014 0.000 2.299 380 R HA 0.141 4.481 4.340 0.000 0.000 0.197 380 R C 0.306 176.610 176.300 0.006 0.000 0.971 380 R CA 0.053 56.160 56.100 0.013 0.000 1.030 380 R CB 0.276 30.586 30.300 0.017 0.000 0.932 380 R HN 0.371 nan 8.270 nan 0.000 0.477 381 V N 1.527 121.443 119.914 0.003 0.000 2.364 381 V HA 0.053 4.173 4.120 0.000 0.000 0.272 381 V C 0.469 176.557 176.094 -0.011 0.000 1.036 381 V CA -0.438 61.862 62.300 0.000 0.000 0.880 381 V CB 1.434 33.259 31.823 0.003 0.000 0.991 381 V HN 0.130 nan 8.190 nan 0.000 0.460 382 S N 7.338 123.028 115.700 -0.016 0.000 2.558 382 S HA 0.150 4.620 4.470 0.000 0.000 0.293 382 S C -2.034 172.530 174.600 -0.059 0.000 1.292 382 S CA -0.555 57.616 58.200 -0.048 0.000 1.063 382 S CB 0.542 63.722 63.200 -0.033 0.000 0.831 382 S HN 0.608 nan 8.310 nan 0.000 0.499 383 P HA 0.277 nan 4.420 nan 0.000 0.274 383 P C -0.665 176.568 177.300 -0.111 0.000 1.256 383 P CA -0.663 62.382 63.100 -0.092 0.000 0.795 383 P CB 0.472 32.104 31.700 -0.114 0.000 1.038 384 N N 0.031 118.680 118.700 -0.086 0.000 2.498 384 N HA 0.408 5.148 4.740 0.000 0.000 0.287 384 N C -0.911 174.501 175.510 -0.163 0.000 1.097 384 N CA -0.182 52.816 53.050 -0.088 0.000 0.973 384 N CB 0.995 39.451 38.487 -0.051 0.000 1.153 384 N HN 0.169 nan 8.380 nan 0.000 0.472 385 V N -1.174 118.614 119.914 -0.209 0.000 2.888 385 V HA 0.615 4.735 4.120 0.000 0.000 0.309 385 V C -0.596 175.218 176.094 -0.466 0.000 1.114 385 V CA -0.954 61.117 62.300 -0.382 0.000 0.940 385 V CB 2.153 33.659 31.823 -0.527 0.000 1.021 385 V HN 0.555 nan 8.190 nan 0.000 0.426 386 K N 2.587 122.667 120.400 -0.534 0.000 2.378 386 K HA 0.656 4.976 4.320 0.000 0.000 0.252 386 K C -0.933 175.335 176.600 -0.552 0.000 0.931 386 K CA -0.740 55.283 56.287 -0.441 0.000 0.794 386 K CB 2.119 34.492 32.500 -0.212 0.000 1.181 386 K HN 0.696 nan 8.250 nan 0.000 0.425 387 F N 1.189 121.005 119.950 -0.223 0.000 2.717 387 F HA 0.167 4.694 4.527 0.000 0.000 0.297 387 F C 0.341 175.869 175.800 -0.452 0.000 1.113 387 F CA -0.683 57.076 58.000 -0.403 0.000 1.319 387 F CB 0.493 39.070 39.000 -0.703 0.000 1.097 387 F HN 0.584 nan 8.300 nan 0.000 0.595 388 N N 0.769 119.357 118.700 -0.187 0.000 2.714 388 N HA -0.252 4.488 4.740 0.000 0.000 0.253 388 N C -0.971 174.473 175.510 -0.109 0.000 1.024 388 N CA 0.470 53.448 53.050 -0.119 0.000 0.726 388 N CB -1.983 36.413 38.487 -0.151 0.000 0.908 388 N HN 0.337 nan 8.380 nan 0.000 0.542 389 Y N -0.219 120.076 120.300 -0.008 0.000 2.895 389 Y HA -0.133 4.417 4.550 -0.000 0.000 0.334 389 Y C 1.432 177.263 175.900 -0.115 0.000 1.261 389 Y CA 0.774 58.766 58.100 -0.181 0.000 1.560 389 Y CB -0.084 38.237 38.460 -0.232 0.000 1.253 389 Y HN 0.270 nan 8.280 nan 0.000 0.582 390 Y N -0.512 119.896 120.300 0.180 0.000 4.604 390 Y HA -0.398 4.152 4.550 0.000 0.000 0.230 390 Y C 1.892 177.821 175.900 0.048 0.000 1.066 390 Y CA 0.373 58.533 58.100 0.100 0.000 1.990 390 Y CB -1.754 36.762 38.460 0.094 0.000 1.619 390 Y HN 0.728 nan 8.280 nan 0.000 0.649 391 S N -0.653 115.113 115.700 0.111 0.000 2.423 391 S HA -0.118 4.352 4.470 0.000 0.000 0.231 391 S C 0.696 175.319 174.600 0.039 0.000 1.014 391 S CA 0.881 59.106 58.200 0.042 0.000 0.965 391 S CB 0.017 63.187 63.200 -0.050 0.000 0.785 391 S HN 0.522 nan 8.310 nan 0.000 0.495 392 N N 1.294 120.028 118.700 0.057 0.000 2.426 392 N HA 0.256 4.996 4.740 0.000 0.000 0.257 392 N C 0.621 176.180 175.510 0.081 0.000 1.002 392 N CA -0.216 52.869 53.050 0.057 0.000 0.942 392 N CB 1.039 39.568 38.487 0.071 0.000 1.112 392 N HN 0.272 nan 8.380 nan 0.000 0.499 393 L N 2.378 123.628 121.223 0.045 0.000 2.265 393 L HA -0.123 4.217 4.340 0.000 0.000 0.215 393 L C 1.928 178.781 176.870 -0.028 0.000 1.117 393 L CA 0.908 55.762 54.840 0.024 0.000 0.782 393 L CB -0.329 41.733 42.059 0.005 0.000 0.914 393 L HN 0.523 nan 8.230 nan 0.000 0.441 394 T N -1.108 113.407 114.554 -0.065 0.000 2.867 394 T HA -0.142 4.208 4.350 0.000 0.000 0.268 394 T C 1.403 175.898 174.700 -0.341 0.000 1.057 394 T CA 1.143 63.105 62.100 -0.230 0.000 1.136 394 T CB -0.144 68.600 68.868 -0.206 0.000 0.874 394 T HN 0.308 nan 8.240 nan 0.000 0.466 395 D N 1.007 121.375 120.400 -0.053 0.000 2.117 395 D HA -0.040 4.600 4.640 0.000 0.000 0.197 395 D C 2.002 178.452 176.300 0.250 0.000 0.987 395 D CA 0.566 54.649 54.000 0.139 0.000 0.829 395 D CB -0.399 40.559 40.800 0.263 0.000 0.961 395 D HN 0.192 nan 8.370 nan 0.000 0.460 396 L N 0.568 121.897 121.223 0.176 0.000 2.046 396 L HA -0.122 4.218 4.340 0.000 0.000 0.208 396 L C 2.286 179.108 176.870 -0.080 0.000 1.077 396 L CA 1.582 56.358 54.840 -0.108 0.000 0.747 396 L CB -0.921 41.041 42.059 -0.162 0.000 0.896 396 L HN -0.095 nan 8.230 nan 0.000 0.432 397 S N -1.493 114.167 115.700 -0.068 0.000 2.383 397 S HA -0.255 4.215 4.470 0.000 0.000 0.229 397 S C 1.986 176.636 174.600 0.084 0.000 1.030 397 S CA 1.587 59.766 58.200 -0.034 0.000 1.002 397 S CB -0.522 62.638 63.200 -0.067 0.000 0.829 397 S HN 0.746 nan 8.310 nan 0.000 0.467 398 H N -0.993 118.116 119.070 0.065 0.000 2.423 398 H HA -0.075 4.481 4.556 -0.000 0.000 0.297 398 H C 2.665 178.029 175.328 0.060 0.000 1.075 398 H CA 1.082 57.198 56.048 0.113 0.000 1.342 398 H CB -0.232 29.610 29.762 0.133 0.000 1.395 398 H HN 0.550 nan 8.280 nan 0.000 0.530 399 c N 0.518 119.223 118.600 0.174 0.000 2.446 399 c HA -0.110 4.460 4.570 0.000 0.000 0.277 399 c C 2.747 176.831 174.090 -0.009 0.000 1.275 399 c CA 0.686 57.067 56.329 0.087 0.000 1.727 399 c CB -1.067 41.477 42.510 0.057 0.000 2.010 399 c HN 0.328 nan 8.230 nan 0.000 0.486 400 V N 1.157 121.063 119.914 -0.013 0.000 2.255 400 V HA -0.196 3.924 4.120 0.000 0.000 0.247 400 V C 2.740 178.728 176.094 -0.176 0.000 1.051 400 V CA 2.644 64.924 62.300 -0.033 0.000 1.018 400 V CB -0.990 30.802 31.823 -0.052 0.000 0.641 400 V HN 0.645 nan 8.190 nan 0.000 0.445 401 S N 0.469 116.079 115.700 -0.149 0.000 2.368 401 S HA -0.138 4.332 4.470 0.000 0.000 0.225 401 S C 2.070 176.317 174.600 -0.588 0.000 1.030 401 S CA 1.383 59.466 58.200 -0.196 0.000 0.999 401 S CB -0.763 62.494 63.200 0.095 0.000 0.844 401 S HN 0.707 nan 8.310 nan 0.000 0.459 402 G N 1.718 109.927 108.800 -0.984 0.000 2.418 402 G HA2 -0.176 3.785 3.960 0.000 0.000 0.217 402 G HA3 -0.176 3.785 3.960 0.000 0.000 0.217 402 G C 1.294 175.840 174.900 -0.591 0.000 1.158 402 G CA 0.894 45.061 45.100 -1.555 0.000 0.771 402 G HN 0.316 nan 8.290 nan 0.000 0.545 403 M N 0.440 119.891 119.600 -0.249 0.000 2.319 403 M HA 0.116 4.596 4.480 0.000 0.000 0.265 403 M C 2.264 178.561 176.300 -0.005 0.000 1.068 403 M CA 0.765 56.041 55.300 -0.040 0.000 1.118 403 M CB -0.711 31.960 32.600 0.118 0.000 1.395 403 M HN 0.213 nan 8.290 nan 0.000 0.435 404 K N -0.066 120.228 120.400 -0.176 0.000 2.097 404 K HA -0.167 4.153 4.320 0.000 0.000 0.205 404 K C 2.045 178.563 176.600 -0.137 0.000 1.050 404 K CA 0.975 57.110 56.287 -0.253 0.000 0.938 404 K CB -0.042 32.189 32.500 -0.447 0.000 0.718 404 K HN 0.004 nan 8.250 nan 0.000 0.442 405 K N 1.392 121.701 120.400 -0.152 0.000 2.097 405 K HA -0.066 4.254 4.320 0.000 0.000 0.205 405 K C 1.754 178.344 176.600 -0.016 0.000 1.050 405 K CA 1.011 57.276 56.287 -0.036 0.000 0.938 405 K CB -0.093 32.442 32.500 0.059 0.000 0.718 405 K HN -0.033 nan 8.250 nan 0.000 0.442 406 I N 0.632 121.173 120.570 -0.048 0.000 2.286 406 I HA -0.125 4.045 4.170 0.000 0.000 0.248 406 I C 2.223 178.257 176.117 -0.139 0.000 1.115 406 I CA 1.670 62.924 61.300 -0.076 0.000 1.392 406 I CB -1.667 36.302 38.000 -0.052 0.000 1.065 406 I HN 0.366 nan 8.210 nan 0.000 0.418 407 G N 0.430 109.181 108.800 -0.082 0.000 2.442 407 G HA2 -0.238 3.722 3.960 0.000 0.000 0.219 407 G HA3 -0.238 3.722 3.960 0.000 0.000 0.219 407 G C 1.595 176.462 174.900 -0.056 0.000 1.141 407 G CA 0.474 45.539 45.100 -0.059 0.000 0.763 407 G HN 0.432 nan 8.290 nan 0.000 0.554 408 E N -0.009 120.162 120.200 -0.049 0.000 2.077 408 E HA -0.047 4.303 4.350 0.000 0.000 0.193 408 E C 2.623 179.195 176.600 -0.048 0.000 0.989 408 E CA 0.535 56.917 56.400 -0.030 0.000 0.800 408 E CB -0.197 29.496 29.700 -0.011 0.000 0.746 408 E HN 0.404 nan 8.360 nan 0.000 0.452 409 L N 0.705 121.869 121.223 -0.099 0.000 2.042 409 L HA -0.219 4.122 4.340 0.000 0.000 0.210 409 L C 2.469 179.222 176.870 -0.196 0.000 1.076 409 L CA 0.996 55.728 54.840 -0.180 0.000 0.749 409 L CB -0.465 41.395 42.059 -0.330 0.000 0.893 409 L HN 0.189 nan 8.230 nan 0.000 0.432 410 L N -0.929 120.153 121.223 -0.235 0.000 2.362 410 L HA -0.127 4.213 4.340 0.000 0.000 0.219 410 L C 2.072 179.042 176.870 0.166 0.000 1.134 410 L CA 0.669 55.431 54.840 -0.129 0.000 0.807 410 L CB -0.296 41.618 42.059 -0.242 0.000 0.927 410 L HN 0.193 nan 8.230 nan 0.000 0.447 411 S N -1.476 114.264 115.700 0.067 0.000 2.556 411 S HA 0.020 4.491 4.470 0.000 0.000 0.216 411 S C 0.926 175.561 174.600 0.059 0.000 0.970 411 S CA 0.018 58.264 58.200 0.078 0.000 0.912 411 S CB -0.133 63.092 63.200 0.041 0.000 0.790 411 S HN 0.536 nan 8.310 nan 0.000 0.504 412 T N 0.469 115.055 114.554 0.054 0.000 2.868 412 T HA 0.204 4.554 4.350 0.000 0.000 0.292 412 T C 0.496 175.235 174.700 0.065 0.000 1.028 412 T CA -0.492 61.637 62.100 0.047 0.000 1.059 412 T CB 0.577 69.463 68.868 0.030 0.000 0.991 412 T HN -0.143 nan 8.240 nan 0.000 0.531 413 D N 1.243 121.673 120.400 0.051 0.000 2.144 413 D HA -0.046 4.594 4.640 0.000 0.000 0.199 413 D C 2.359 178.702 176.300 0.072 0.000 0.984 413 D CA 1.586 55.615 54.000 0.047 0.000 0.834 413 D CB -0.818 40.003 40.800 0.035 0.000 0.955 413 D HN 0.765 nan 8.370 nan 0.000 0.465 414 A N 0.527 123.394 122.820 0.079 0.000 1.948 414 A HA -0.145 4.175 4.320 0.000 0.000 0.220 414 A C 2.149 179.860 177.584 0.213 0.000 1.177 414 A CA 1.093 53.193 52.037 0.105 0.000 0.636 414 A CB -0.586 18.444 19.000 0.051 0.000 0.815 414 A HN 0.281 nan 8.150 nan 0.000 0.449 415 L N -1.610 119.755 121.223 0.237 0.000 2.607 415 L HA 0.086 4.426 4.340 0.000 0.000 0.228 415 L C 2.128 179.246 176.870 0.414 0.000 1.123 415 L CA 0.317 55.433 54.840 0.460 0.000 0.890 415 L CB -0.257 42.041 42.059 0.398 0.000 1.103 415 L HN 0.413 nan 8.230 nan 0.000 0.468 416 K N 1.569 122.076 120.400 0.179 0.000 2.074 416 K HA -0.176 4.144 4.320 0.000 0.000 0.209 416 K C -0.594 175.969 176.600 -0.060 0.000 1.048 416 K CA 1.603 57.902 56.287 0.019 0.000 0.926 416 K CB -0.554 31.942 32.500 -0.007 0.000 0.713 416 K HN 0.187 nan 8.250 nan 0.000 0.444 417 P HA -0.120 nan 4.420 nan 0.000 0.228 417 P C -0.063 176.957 177.300 -0.466 0.000 1.151 417 P CA 1.089 63.989 63.100 -0.334 0.000 0.770 417 P CB 0.046 31.463 31.700 -0.473 0.000 0.786 418 Y N -1.154 119.245 120.300 0.165 0.000 2.468 418 Y HA 0.187 4.737 4.550 0.000 0.000 0.268 418 Y C 1.036 177.032 175.900 0.161 0.000 1.177 418 Y CA -0.223 58.028 58.100 0.252 0.000 1.265 418 Y CB -0.149 38.600 38.460 0.481 0.000 1.103 418 Y HN -0.184 nan 8.280 nan 0.000 0.522 419 K N 0.361 120.701 120.400 -0.100 0.000 2.098 419 K HA 0.237 4.557 4.320 0.000 0.000 0.257 419 K C 1.065 177.582 176.600 -0.139 0.000 0.999 419 K CA 0.025 56.071 56.287 -0.402 0.000 0.924 419 K CB 1.799 33.898 32.500 -0.669 0.000 1.028 419 K HN 0.011 nan 8.250 nan 0.000 0.466 420 V N -2.041 117.816 119.914 -0.095 0.000 3.590 420 V HA 0.148 4.269 4.120 0.000 0.000 0.265 420 V C 0.319 176.377 176.094 -0.061 0.000 1.239 420 V CA 0.443 62.722 62.300 -0.036 0.000 1.117 420 V CB -0.420 31.411 31.823 0.013 0.000 0.818 420 V HN 0.858 nan 8.190 nan 0.000 0.451 421 E N -0.261 119.877 120.200 -0.104 0.000 2.372 421 E HA 0.246 4.596 4.350 0.000 0.000 0.279 421 E C -1.666 174.863 176.600 -0.118 0.000 0.946 421 E CA -0.743 55.604 56.400 -0.088 0.000 0.769 421 E CB 1.919 31.584 29.700 -0.057 0.000 1.230 421 E HN 0.171 nan 8.360 nan 0.000 0.442 422 D N 3.793 124.139 120.400 -0.089 0.000 2.346 422 D HA 0.297 4.937 4.640 0.000 0.000 0.260 422 D C -0.672 175.586 176.300 -0.071 0.000 1.252 422 D CA 0.584 54.533 54.000 -0.085 0.000 0.895 422 D CB 0.326 41.090 40.800 -0.060 0.000 1.097 422 D HN 0.318 nan 8.370 nan 0.000 0.489 423 L N 3.735 124.911 121.223 -0.079 0.000 2.518 423 L HA 0.339 4.679 4.340 0.000 0.000 0.257 423 L C -2.458 174.388 176.870 -0.041 0.000 0.980 423 L CA -1.991 52.818 54.840 -0.051 0.000 0.837 423 L CB 2.648 44.680 42.059 -0.045 0.000 1.410 423 L HN 0.127 nan 8.230 nan 0.000 0.410 424 P HA 0.223 nan 4.420 nan 0.000 0.271 424 P C 0.514 177.819 177.300 0.008 0.000 1.216 424 P CA 0.647 63.742 63.100 -0.008 0.000 0.771 424 P CB 0.966 32.664 31.700 -0.004 0.000 0.864 425 G N 2.538 111.348 108.800 0.017 0.000 2.596 425 G HA2 -0.340 3.620 3.960 0.000 0.000 0.304 425 G HA3 -0.340 3.620 3.960 0.000 0.000 0.304 425 G C 0.925 175.880 174.900 0.092 0.000 1.189 425 G CA 0.750 45.875 45.100 0.042 0.000 0.986 425 G HN 0.720 nan 8.290 nan 0.000 0.548 426 V N -0.422 119.552 119.914 0.099 0.000 3.573 426 V HA 0.410 4.531 4.120 0.000 0.000 0.270 426 V C 0.863 177.091 176.094 0.223 0.000 1.221 426 V CA 1.808 64.207 62.300 0.165 0.000 1.163 426 V CB -0.482 31.375 31.823 0.057 0.000 0.847 426 V HN 0.574 nan 8.190 nan 0.000 0.468 427 E N 0.599 120.871 120.200 0.120 0.000 2.319 427 E HA 0.577 4.927 4.350 0.000 0.000 0.268 427 E C 1.018 177.621 176.600 0.005 0.000 1.050 427 E CA 0.116 56.565 56.400 0.082 0.000 0.878 427 E CB 1.258 30.975 29.700 0.029 0.000 1.066 427 E HN 0.394 nan 8.360 nan 0.000 0.406 428 G N 1.581 110.374 108.800 -0.011 0.000 2.211 428 G HA2 -0.218 3.742 3.960 0.000 0.000 0.201 428 G HA3 -0.218 3.742 3.960 0.000 0.000 0.201 428 G C -0.203 174.586 174.900 -0.186 0.000 0.997 428 G CA -0.643 44.373 45.100 -0.140 0.000 0.652 428 G HN 0.381 nan 8.290 nan 0.000 0.500 429 F N 1.013 120.988 119.950 0.042 0.000 2.378 429 F HA 0.484 5.011 4.527 -0.000 0.000 0.325 429 F C 0.886 176.722 175.800 0.060 0.000 1.097 429 F CA -0.569 57.472 58.000 0.068 0.000 1.079 429 F CB 0.997 40.049 39.000 0.086 0.000 1.240 429 F HN 0.050 nan 8.300 nan 0.000 0.519 430 N N 2.432 121.310 118.700 0.296 0.000 2.558 430 N HA 0.228 4.968 4.740 0.000 0.000 0.233 430 N C -1.201 174.423 175.510 0.191 0.000 1.038 430 N CA -0.394 52.763 53.050 0.178 0.000 0.934 430 N CB 0.214 38.783 38.487 0.137 0.000 1.175 430 N HN 0.294 nan 8.380 nan 0.000 0.512 431 I N 3.476 124.141 120.570 0.157 0.000 2.395 431 I HA 0.184 4.354 4.170 0.000 0.000 0.289 431 I C 0.083 176.254 176.117 0.091 0.000 1.023 431 I CA -0.700 60.682 61.300 0.138 0.000 1.350 431 I CB 1.043 39.112 38.000 0.115 0.000 1.409 431 I HN 0.499 nan 8.210 nan 0.000 0.507 432 L N 6.639 127.928 121.223 0.110 0.000 2.265 432 L HA 0.750 5.090 4.340 0.000 0.000 0.289 432 L C 0.288 177.202 176.870 0.073 0.000 1.033 432 L CA 0.691 55.555 54.840 0.041 0.000 0.814 432 L CB 0.709 42.775 42.059 0.010 0.000 1.203 432 L HN 0.908 nan 8.230 nan 0.000 0.423 433 G N 4.267 113.012 108.800 -0.092 0.000 2.512 433 G HA2 -0.169 3.791 3.960 0.000 0.000 0.210 433 G HA3 -0.169 3.791 3.960 0.000 0.000 0.210 433 G C -0.404 174.480 174.900 -0.025 0.000 1.295 433 G CA -0.402 44.608 45.100 -0.151 0.000 0.934 433 G HN 0.728 nan 8.290 nan 0.000 0.554 434 I N 3.692 124.276 120.570 0.025 0.000 2.452 434 I HA 0.273 4.443 4.170 0.000 0.000 0.287 434 I C -1.159 175.068 176.117 0.182 0.000 1.079 434 I CA -1.229 60.101 61.300 0.050 0.000 1.387 434 I CB 0.914 38.891 38.000 -0.037 0.000 1.404 434 I HN 0.388 nan 8.210 nan 0.000 0.522 435 P HA 0.281 nan 4.420 nan 0.000 0.278 435 P C -0.526 176.729 177.300 -0.075 0.000 1.266 435 P CA -0.581 62.548 63.100 0.049 0.000 0.807 435 P CB 1.226 32.931 31.700 0.009 0.000 1.094 436 L N 1.256 122.287 121.223 -0.320 0.000 2.464 436 L HA 0.259 4.599 4.340 0.000 0.000 0.264 436 L C -1.814 174.753 176.870 -0.505 0.000 1.199 436 L CA -1.761 52.645 54.840 -0.723 0.000 0.818 436 L CB -0.437 41.249 42.059 -0.622 0.000 1.102 436 L HN 0.262 nan 8.230 nan 0.000 0.473 437 P HA 0.085 nan 4.420 nan 0.000 0.269 437 P C -0.188 176.982 177.300 -0.217 0.000 1.209 437 P CA -0.163 62.695 63.100 -0.404 0.000 0.776 437 P CB 0.649 32.044 31.700 -0.509 0.000 0.876 438 K N 0.551 120.894 120.400 -0.095 0.000 2.057 438 K HA -0.102 4.218 4.320 0.000 0.000 0.206 438 K C 0.744 177.356 176.600 0.021 0.000 1.050 438 K CA 1.058 57.327 56.287 -0.030 0.000 0.935 438 K CB -0.197 32.293 32.500 -0.017 0.000 0.715 438 K HN 0.521 nan 8.250 nan 0.000 0.439 439 D N 1.198 121.623 120.400 0.042 0.000 2.344 439 D HA -0.025 4.615 4.640 0.000 0.000 0.253 439 D C 0.512 176.925 176.300 0.188 0.000 1.255 439 D CA 0.145 54.193 54.000 0.080 0.000 0.894 439 D CB 0.904 41.740 40.800 0.060 0.000 1.067 439 D HN -0.011 nan 8.370 nan 0.000 0.492 440 Q N 1.986 121.869 119.800 0.138 0.000 2.515 440 Q HA -0.044 4.296 4.340 0.000 0.000 0.212 440 Q C 1.381 177.333 176.000 -0.081 0.000 0.970 440 Q CA 0.714 56.582 55.803 0.107 0.000 0.941 440 Q CB -0.082 28.668 28.738 0.021 0.000 0.998 440 Q HN 0.632 nan 8.270 nan 0.000 0.518 441 T N -3.895 110.650 114.554 -0.015 0.000 3.054 441 T HA 0.062 4.413 4.350 0.000 0.000 0.255 441 T C 0.377 175.066 174.700 -0.018 0.000 1.035 441 T CA -0.389 61.674 62.100 -0.062 0.000 0.941 441 T CB 0.258 69.106 68.868 -0.035 0.000 1.026 441 T HN -0.159 nan 8.240 nan 0.000 0.533 442 D N 2.214 122.661 120.400 0.079 0.000 2.517 442 D HA 0.174 4.814 4.640 0.000 0.000 0.220 442 D C 0.199 176.606 176.300 0.179 0.000 1.158 442 D CA -0.275 53.795 54.000 0.116 0.000 0.992 442 D CB 0.442 41.321 40.800 0.131 0.000 1.058 442 D HN 0.092 nan 8.370 nan 0.000 0.516 443 D N 2.076 122.510 120.400 0.058 0.000 2.123 443 D HA -0.179 4.461 4.640 0.000 0.000 0.196 443 D C 1.911 178.271 176.300 0.101 0.000 0.992 443 D CA 1.380 55.407 54.000 0.045 0.000 0.833 443 D CB -0.033 40.756 40.800 -0.019 0.000 0.954 443 D HN 0.503 nan 8.370 nan 0.000 0.455 444 A N 0.767 123.629 122.820 0.069 0.000 1.940 444 A HA -0.061 4.259 4.320 0.000 0.000 0.219 444 A C 2.286 179.910 177.584 0.068 0.000 1.176 444 A CA 2.240 54.308 52.037 0.052 0.000 0.631 444 A CB -0.740 18.278 19.000 0.030 0.000 0.814 444 A HN 0.248 nan 8.150 nan 0.000 0.446 445 A N -1.452 121.423 122.820 0.092 0.000 1.930 445 A HA 0.059 4.379 4.320 0.000 0.000 0.217 445 A C 1.911 179.515 177.584 0.033 0.000 1.175 445 A CA 1.351 53.414 52.037 0.045 0.000 0.627 445 A CB -0.663 18.346 19.000 0.015 0.000 0.815 445 A HN 0.447 nan 8.150 nan 0.000 0.443 446 F N 0.304 120.241 119.950 -0.022 0.000 2.234 446 F HA -0.067 4.461 4.527 0.001 0.000 0.299 446 F C 2.399 178.209 175.800 0.017 0.000 1.087 446 F CA 1.585 59.576 58.000 -0.015 0.000 1.340 446 F CB -0.196 38.757 39.000 -0.078 0.000 1.031 446 F HN 0.315 nan 8.300 nan 0.000 0.500 447 E N -0.635 119.646 120.200 0.135 0.000 2.072 447 E HA -0.162 4.188 4.350 0.000 0.000 0.191 447 E C 2.130 178.716 176.600 -0.023 0.000 0.985 447 E CA 1.739 58.144 56.400 0.008 0.000 0.801 447 E CB -0.275 29.417 29.700 -0.014 0.000 0.750 447 E HN 0.279 nan 8.360 nan 0.000 0.452 448 T N 0.933 115.492 114.554 0.009 0.000 2.746 448 T HA -0.161 4.189 4.350 0.000 0.000 0.267 448 T C 1.471 176.154 174.700 -0.028 0.000 1.039 448 T CA 1.015 63.107 62.100 -0.014 0.000 1.142 448 T CB -0.350 68.516 68.868 -0.005 0.000 0.866 448 T HN 0.186 nan 8.240 nan 0.000 0.444 449 F N 1.367 121.230 119.950 -0.145 0.000 2.095 449 F HA -0.182 4.345 4.527 0.000 0.000 0.298 449 F C 2.485 178.191 175.800 -0.157 0.000 1.104 449 F CA 0.883 58.773 58.000 -0.184 0.000 1.232 449 F CB -0.796 38.028 39.000 -0.294 0.000 0.987 449 F HN 0.148 nan 8.300 nan 0.000 0.475 450 c N 1.134 119.716 118.600 -0.030 0.000 2.413 450 c HA -0.186 4.384 4.570 0.000 0.000 0.277 450 c C 2.851 176.830 174.090 -0.185 0.000 1.228 450 c CA 1.490 57.729 56.329 -0.151 0.000 1.731 450 c CB -1.319 41.050 42.510 -0.235 0.000 2.042 450 c HN 0.475 nan 8.230 nan 0.000 0.468 451 R N 0.529 120.928 120.500 -0.168 0.000 2.075 451 R HA -0.100 4.240 4.340 0.000 0.000 0.232 451 R C 2.016 178.283 176.300 -0.055 0.000 1.126 451 R CA 1.299 57.382 56.100 -0.028 0.000 0.963 451 R CB -0.315 29.972 30.300 -0.021 0.000 0.858 451 R HN 0.676 nan 8.270 nan 0.000 0.435 452 E N 0.004 120.118 120.200 -0.143 0.000 2.371 452 E HA -0.048 4.302 4.350 0.000 0.000 0.194 452 E C 1.249 177.713 176.600 -0.227 0.000 1.012 452 E CA 1.059 57.368 56.400 -0.151 0.000 0.860 452 E CB 0.355 29.975 29.700 -0.134 0.000 0.811 452 E HN 0.292 nan 8.360 nan 0.000 0.502 453 S N -0.079 115.377 115.700 -0.405 0.000 2.559 453 S HA 0.117 4.588 4.470 0.000 0.000 0.226 453 S C 0.592 174.959 174.600 -0.388 0.000 1.000 453 S CA -0.518 57.384 58.200 -0.497 0.000 0.948 453 S CB 0.338 62.918 63.200 -1.033 0.000 0.870 453 S HN 0.010 nan 8.310 nan 0.000 0.497 454 V N 2.268 122.034 119.914 -0.247 0.000 2.901 454 V HA 0.589 4.709 4.120 0.000 0.000 0.307 454 V C 0.324 176.314 176.094 -0.175 0.000 1.084 454 V CA 0.769 62.962 62.300 -0.179 0.000 1.184 454 V CB 0.602 32.340 31.823 -0.141 0.000 0.941 454 V HN 0.761 nan 8.190 nan 0.000 0.493 455 A N 4.605 127.333 122.820 -0.153 0.000 2.552 455 A HA 0.796 5.116 4.320 0.000 0.000 0.288 455 A C -0.459 176.958 177.584 -0.278 0.000 1.193 455 A CA -0.117 51.824 52.037 -0.161 0.000 0.713 455 A CB 1.720 20.725 19.000 0.009 0.000 1.305 455 A HN 1.042 nan 8.150 nan 0.000 0.424 456 S N -1.554 113.972 115.700 -0.289 0.000 2.578 456 S HA 0.464 4.935 4.470 0.000 0.000 0.283 456 S C -0.116 174.101 174.600 -0.638 0.000 1.195 456 S CA -0.197 57.858 58.200 -0.241 0.000 1.050 456 S CB 0.538 63.735 63.200 -0.005 0.000 1.012 456 S HN 0.660 nan 8.310 nan 0.000 0.511 457 Y N 3.124 123.107 120.300 -0.529 0.000 2.466 457 Y HA 0.168 4.718 4.550 0.000 0.000 0.272 457 Y C 0.230 175.755 175.900 -0.625 0.000 1.169 457 Y CA 0.475 58.102 58.100 -0.788 0.000 1.285 457 Y CB 0.179 38.290 38.460 -0.582 0.000 1.078 457 Y HN 0.843 nan 8.280 nan 0.000 0.523 458 W N -1.106 120.250 121.300 0.093 0.000 2.560 458 W HA -0.292 4.369 4.660 0.001 0.000 0.279 458 W C -0.040 176.544 176.519 0.108 0.000 1.090 458 W CA 1.060 58.517 57.345 0.187 0.000 0.535 458 W CB -2.669 26.894 29.460 0.172 0.000 2.121 458 W HN 0.434 nan 8.180 nan 0.000 1.314 459 H N -0.002 119.164 119.070 0.160 0.000 2.524 459 H HA 0.137 4.694 4.556 0.000 0.000 0.299 459 H C 1.063 176.479 175.328 0.147 0.000 1.074 459 H CA -0.205 55.896 56.048 0.089 0.000 1.115 459 H CB -0.275 29.576 29.762 0.148 0.000 1.522 459 H HN 0.049 nan 8.280 nan 0.000 0.543 460 Y N 1.246 121.785 120.300 0.398 0.000 2.652 460 Y HA 0.099 4.649 4.550 0.000 0.000 0.344 460 Y C 0.726 176.858 175.900 0.387 0.000 1.254 460 Y CA -0.592 57.636 58.100 0.212 0.000 1.480 460 Y CB 0.270 38.775 38.460 0.074 0.000 1.345 460 Y HN 0.233 nan 8.280 nan 0.000 0.617 461 H N -0.787 118.534 119.070 0.418 0.000 2.902 461 H HA 0.637 5.193 4.556 0.000 0.000 0.297 461 H C 0.129 175.651 175.328 0.324 0.000 1.406 461 H CA -1.124 55.119 56.048 0.325 0.000 1.134 461 H CB 1.111 31.047 29.762 0.289 0.000 1.833 461 H HN 1.436 nan 8.280 nan 0.000 0.527 462 G N -1.467 107.516 108.800 0.305 0.000 2.660 462 G HA2 0.300 4.260 3.960 0.000 0.000 0.247 462 G HA3 0.300 4.260 3.960 0.000 0.000 0.247 462 G C 0.651 175.661 174.900 0.183 0.000 1.328 462 G CA 1.607 46.844 45.100 0.229 0.000 0.884 462 G HN 2.017 nan 8.290 nan 0.000 0.531 463 G N -2.848 106.055 108.800 0.171 0.000 2.238 463 G HA2 0.085 4.045 3.960 0.000 0.000 0.217 463 G HA3 0.085 4.045 3.960 0.000 0.000 0.217 463 G C 1.095 176.041 174.900 0.078 0.000 0.996 463 G CA 1.614 46.781 45.100 0.110 0.000 0.632 463 G HN 2.490 nan 8.290 nan 0.000 0.503 464 C N 2.294 121.632 119.300 0.064 0.000 3.173 464 C HA 0.555 5.016 4.460 0.000 0.000 0.209 464 C C 0.626 175.599 174.990 -0.028 0.000 1.229 464 C CA -1.001 58.028 59.018 0.019 0.000 1.109 464 C CB -1.511 26.225 27.740 -0.006 0.000 1.833 464 C HN 0.444 nan 8.230 nan 0.000 0.626 465 L N 2.139 123.351 121.223 -0.018 0.000 2.456 465 L HA 0.291 4.631 4.340 0.000 0.000 0.272 465 L C 0.607 177.366 176.870 -0.187 0.000 1.189 465 L CA -0.011 54.750 54.840 -0.131 0.000 0.846 465 L CB 0.582 42.545 42.059 -0.159 0.000 1.111 465 L HN 0.104 nan 8.230 nan 0.000 0.475 466 V N 2.737 122.464 119.914 -0.312 0.000 2.585 466 V HA 0.210 4.330 4.120 0.000 0.000 0.296 466 V C 1.145 177.124 176.094 -0.193 0.000 1.035 466 V CA 1.487 63.599 62.300 -0.313 0.000 1.084 466 V CB 0.585 32.148 31.823 -0.433 0.000 0.953 466 V HN 1.138 nan 8.190 nan 0.000 0.483 467 G N 4.410 113.123 108.800 -0.145 0.000 2.217 467 G HA2 -0.209 3.751 3.960 0.000 0.000 0.246 467 G HA3 -0.209 3.751 3.960 0.000 0.000 0.246 467 G C 0.887 175.726 174.900 -0.101 0.000 0.990 467 G CA 0.380 45.413 45.100 -0.113 0.000 0.627 467 G HN 0.580 nan 8.290 nan 0.000 0.522 468 K N -0.817 119.534 120.400 -0.083 0.000 2.362 468 K HA 0.490 4.810 4.320 0.000 0.000 0.203 468 K C 2.066 178.813 176.600 0.245 0.000 1.198 468 K CA 1.288 57.574 56.287 -0.001 0.000 0.908 468 K CB 0.250 32.670 32.500 -0.133 0.000 1.236 468 K HN 0.421 nan 8.250 nan 0.000 0.487 469 V N 0.945 120.935 119.914 0.127 0.000 3.371 469 V HA 0.240 4.360 4.120 0.000 0.000 0.246 469 V C 0.829 176.944 176.094 0.036 0.000 1.303 469 V CA 0.160 62.519 62.300 0.099 0.000 1.156 469 V CB 0.632 32.422 31.823 -0.056 0.000 0.929 469 V HN -0.018 nan 8.190 nan 0.000 0.459 470 L N 1.120 122.324 121.223 -0.032 0.000 2.313 470 L HA 0.603 4.943 4.340 0.000 0.000 0.268 470 L C -0.403 176.404 176.870 -0.105 0.000 1.010 470 L CA -0.833 53.964 54.840 -0.070 0.000 0.814 470 L CB 1.326 43.305 42.059 -0.132 0.000 1.304 470 L HN 0.261 nan 8.230 nan 0.000 0.441 471 D N -0.209 120.122 120.400 -0.114 0.000 2.529 471 D HA 0.174 4.814 4.640 0.000 0.000 0.273 471 D C 1.084 177.230 176.300 -0.258 0.000 1.197 471 D CA -0.438 53.484 54.000 -0.130 0.000 1.070 471 D CB 0.792 41.553 40.800 -0.066 0.000 1.134 471 D HN 0.553 nan 8.370 nan 0.000 0.590 472 G N -1.334 107.335 108.800 -0.218 0.000 2.586 472 G HA2 -0.132 3.829 3.960 0.000 0.000 0.215 472 G HA3 -0.132 3.829 3.960 0.000 0.000 0.215 472 G C 0.419 175.131 174.900 -0.313 0.000 1.128 472 G CA 0.331 45.255 45.100 -0.293 0.000 0.774 472 G HN 0.506 nan 8.290 nan 0.000 0.543 473 D N -0.387 119.903 120.400 -0.183 0.000 2.440 473 D HA 0.171 4.811 4.640 0.000 0.000 0.216 473 D C 0.352 176.765 176.300 0.189 0.000 1.150 473 D CA -0.556 53.455 54.000 0.019 0.000 0.832 473 D CB 0.195 41.009 40.800 0.024 0.000 0.992 473 D HN 0.249 nan 8.370 nan 0.000 0.502 474 F N 0.331 120.247 119.950 -0.056 0.000 2.953 474 F HA -0.280 4.247 4.527 0.000 0.000 0.292 474 F C 0.607 176.384 175.800 -0.038 0.000 0.747 474 F CA 0.366 58.330 58.000 -0.060 0.000 1.222 474 F CB -1.817 37.150 39.000 -0.055 0.000 1.457 474 F HN -0.083 nan 8.300 nan 0.000 0.383 475 R N 0.303 120.845 120.500 0.070 0.000 2.490 475 R HA 0.536 4.876 4.340 0.000 0.000 0.278 475 R C -0.035 176.292 176.300 0.044 0.000 1.069 475 R CA -0.787 55.352 56.100 0.065 0.000 1.080 475 R CB 1.211 31.541 30.300 0.051 0.000 1.030 475 R HN -0.038 nan 8.270 nan 0.000 0.491 476 V N 3.257 123.205 119.914 0.056 0.000 2.470 476 V HA -0.010 4.110 4.120 0.000 0.000 0.276 476 V C 0.910 177.073 176.094 0.116 0.000 1.040 476 V CA -0.160 62.167 62.300 0.045 0.000 1.008 476 V CB 0.816 32.655 31.823 0.027 0.000 0.990 476 V HN 0.911 nan 8.190 nan 0.000 0.477 477 T N 2.250 116.910 114.554 0.176 0.000 2.932 477 T HA 0.404 4.754 4.350 0.000 0.000 0.312 477 T C 1.334 176.137 174.700 0.172 0.000 1.071 477 T CA 0.291 62.487 62.100 0.161 0.000 1.128 477 T CB 1.050 70.002 68.868 0.140 0.000 0.984 477 T HN 1.740 nan 8.240 nan 0.000 0.549 478 G N 2.078 110.916 108.800 0.063 0.000 2.205 478 G HA2 -0.207 3.753 3.960 0.000 0.000 0.261 478 G HA3 -0.207 3.753 3.960 0.000 0.000 0.261 478 G C 0.062 174.980 174.900 0.030 0.000 0.980 478 G CA 0.275 45.386 45.100 0.018 0.000 0.632 478 G HN 0.957 nan 8.290 nan 0.000 0.533 479 I N 0.683 121.294 120.570 0.069 0.000 2.582 479 I HA 0.358 4.528 4.170 0.000 0.000 0.292 479 I C -0.733 175.443 176.117 0.098 0.000 1.066 479 I CA -1.184 60.165 61.300 0.082 0.000 1.053 479 I CB 1.927 39.992 38.000 0.108 0.000 1.241 479 I HN -0.076 nan 8.210 nan 0.000 0.421 480 N N 3.585 122.345 118.700 0.100 0.000 2.495 480 N HA 0.473 5.213 4.740 0.000 0.000 0.280 480 N C 0.548 176.115 175.510 0.095 0.000 1.168 480 N CA 0.030 53.129 53.050 0.082 0.000 0.978 480 N CB 1.555 40.078 38.487 0.059 0.000 1.191 480 N HN 0.868 nan 8.380 nan 0.000 0.497 481 A N -0.438 122.420 122.820 0.064 0.000 2.832 481 A HA -0.206 4.114 4.320 0.000 0.000 0.280 481 A C -0.380 177.244 177.584 0.066 0.000 1.464 481 A CA 0.755 52.821 52.037 0.048 0.000 0.804 481 A CB -2.008 17.004 19.000 0.019 0.000 1.020 481 A HN 0.479 nan 8.150 nan 0.000 0.563 482 L N -0.790 120.488 121.223 0.092 0.000 2.476 482 L HA 0.798 5.139 4.340 0.000 0.000 0.269 482 L C -0.202 176.721 176.870 0.089 0.000 0.965 482 L CA -0.291 54.608 54.840 0.099 0.000 0.845 482 L CB 1.450 43.610 42.059 0.168 0.000 1.259 482 L HN 0.369 nan 8.230 nan 0.000 0.403 483 R N 3.186 123.731 120.500 0.075 0.000 2.888 483 R HA 0.887 5.227 4.340 0.000 0.000 0.264 483 R C -1.635 174.700 176.300 0.059 0.000 1.045 483 R CA -1.142 55.006 56.100 0.079 0.000 0.962 483 R CB 2.504 32.856 30.300 0.086 0.000 1.210 483 R HN 0.350 nan 8.270 nan 0.000 0.479 484 V N 1.474 121.434 119.914 0.077 0.000 2.577 484 V HA 0.416 4.536 4.120 0.000 0.000 0.303 484 V C -0.987 175.132 176.094 0.041 0.000 1.042 484 V CA -0.690 61.638 62.300 0.046 0.000 0.872 484 V CB 2.133 33.979 31.823 0.039 0.000 0.998 484 V HN 0.459 nan 8.190 nan 0.000 0.423 485 V N 5.016 124.904 119.914 -0.044 0.000 2.498 485 V HA 0.693 4.813 4.120 0.000 0.000 0.283 485 V C -0.847 175.178 176.094 -0.113 0.000 1.015 485 V CA -0.390 61.823 62.300 -0.144 0.000 0.867 485 V CB 1.330 33.014 31.823 -0.232 0.000 1.025 485 V HN 1.139 nan 8.190 nan 0.000 0.441 486 D N 2.949 123.284 120.400 -0.109 0.000 3.235 486 D HA 0.211 4.851 4.640 0.000 0.000 0.360 486 D C 1.044 177.174 176.300 -0.282 0.000 1.465 486 D CA 0.125 54.029 54.000 -0.160 0.000 0.874 486 D CB 0.678 41.415 40.800 -0.106 0.000 1.465 486 D HN 0.342 nan 8.370 nan 0.000 0.533 487 G N -0.961 107.523 108.800 -0.527 0.000 2.776 487 G HA2 0.042 4.002 3.960 0.000 0.000 0.209 487 G HA3 0.042 4.002 3.960 0.000 0.000 0.209 487 G C 0.991 175.829 174.900 -0.102 0.000 1.145 487 G CA 0.965 45.633 45.100 -0.721 0.000 0.791 487 G HN 0.634 nan 8.290 nan 0.000 0.530 488 S N -0.092 115.589 115.700 -0.033 0.000 2.562 488 S HA -0.066 4.404 4.470 0.000 0.000 0.221 488 S C 2.108 176.721 174.600 0.023 0.000 0.975 488 S CA 1.232 59.463 58.200 0.052 0.000 0.918 488 S CB -0.242 62.979 63.200 0.036 0.000 0.772 488 S HN 0.348 nan 8.310 nan 0.000 0.531 489 T N -1.577 112.952 114.554 -0.043 0.000 3.081 489 T HA 0.350 4.700 4.350 0.000 0.000 0.255 489 T C 0.048 174.414 174.700 -0.557 0.000 1.113 489 T CA -0.261 61.675 62.100 -0.274 0.000 1.082 489 T CB -0.546 68.136 68.868 -0.309 0.000 0.939 489 T HN 0.342 nan 8.240 nan 0.000 0.506 490 F N 1.110 121.152 119.950 0.153 0.000 2.576 490 F HA 0.475 5.002 4.527 0.000 0.000 0.313 490 F C -1.815 173.972 175.800 -0.023 0.000 1.078 490 F CA -2.625 55.399 58.000 0.040 0.000 0.921 490 F CB 2.251 41.292 39.000 0.068 0.000 1.232 490 F HN -0.303 nan 8.300 nan 0.000 0.459 491 P HA -0.064 nan 4.420 nan 0.000 0.224 491 P C -0.509 176.395 177.300 -0.660 0.000 1.157 491 P CA 1.320 64.016 63.100 -0.673 0.000 0.799 491 P CB 0.461 31.536 31.700 -1.041 0.000 0.809 492 Y N -1.423 118.843 120.300 -0.058 0.000 2.509 492 Y HA 0.395 4.945 4.550 0.001 0.000 0.341 492 Y C 1.106 176.772 175.900 -0.390 0.000 1.038 492 Y CA -1.302 56.739 58.100 -0.097 0.000 1.089 492 Y CB 1.342 39.728 38.460 -0.124 0.000 1.241 492 Y HN -0.367 nan 8.280 nan 0.000 0.468 493 T N 4.118 118.512 114.554 -0.267 0.000 2.901 493 T HA 0.079 4.429 4.350 0.000 0.000 0.301 493 T C -1.234 173.179 174.700 -0.479 0.000 1.012 493 T CA -1.516 60.305 62.100 -0.465 0.000 1.135 493 T CB 0.569 69.294 68.868 -0.237 0.000 0.936 493 T HN 0.520 nan 8.240 nan 0.000 0.539 494 P HA 0.193 nan 4.420 nan 0.000 0.223 494 P C 0.037 176.829 177.300 -0.846 0.000 1.151 494 P CA 0.410 62.976 63.100 -0.891 0.000 0.787 494 P CB 0.295 31.222 31.700 -1.289 0.000 0.788 495 A N -0.634 121.700 122.820 -0.810 0.000 2.483 495 A HA 0.428 4.748 4.320 0.000 0.000 0.306 495 A C 1.137 178.212 177.584 -0.849 0.000 1.137 495 A CA 0.345 51.725 52.037 -1.095 0.000 0.626 495 A CB -0.199 18.364 19.000 -0.729 0.000 1.352 495 A HN -0.072 nan 8.150 nan 0.000 0.508 496 S N -0.584 114.669 115.700 -0.745 0.000 2.399 496 S HA -0.014 4.456 4.470 0.000 0.000 0.231 496 S C 0.457 174.807 174.600 -0.417 0.000 1.022 496 S CA 1.943 59.813 58.200 -0.551 0.000 0.983 496 S CB -0.500 62.593 63.200 -0.178 0.000 0.803 496 S HN 0.752 nan 8.310 nan 0.000 0.480 497 H N 0.904 119.851 119.070 -0.205 0.000 2.924 497 H HA 0.396 4.952 4.556 0.000 0.000 0.333 497 H C -2.219 172.860 175.328 -0.416 0.000 0.979 497 H CA -1.481 54.435 56.048 -0.219 0.000 1.326 497 H CB 1.934 31.659 29.762 -0.062 0.000 1.600 497 H HN 0.050 nan 8.280 nan 0.000 0.520 498 P HA -0.122 nan 4.420 nan 0.000 0.236 498 P C 1.041 177.977 177.300 -0.608 0.000 1.177 498 P CA 0.554 63.267 63.100 -0.645 0.000 0.773 498 P CB 0.621 31.865 31.700 -0.761 0.000 0.878 499 Q N 0.405 120.029 119.800 -0.294 0.000 2.135 499 Q HA -0.119 4.221 4.340 0.000 0.000 0.204 499 Q C 2.202 178.160 176.000 -0.070 0.000 0.981 499 Q CA 2.149 57.903 55.803 -0.083 0.000 0.856 499 Q CB -1.658 27.102 28.738 0.037 0.000 0.902 499 Q HN 0.120 nan 8.270 nan 0.000 0.425 500 G N 0.536 109.186 108.800 -0.249 0.000 2.446 500 G HA2 -0.311 3.649 3.960 0.000 0.000 0.217 500 G HA3 -0.311 3.649 3.960 0.000 0.000 0.217 500 G C 1.146 176.078 174.900 0.054 0.000 1.168 500 G CA 0.815 45.733 45.100 -0.303 0.000 0.771 500 G HN 0.474 nan 8.290 nan 0.000 0.551 501 F N 0.507 120.331 119.950 -0.210 0.000 2.146 501 F HA 0.035 4.562 4.527 0.001 0.000 0.298 501 F C 2.498 178.296 175.800 -0.004 0.000 1.096 501 F CA 1.119 59.037 58.000 -0.137 0.000 1.275 501 F CB -0.223 38.552 39.000 -0.375 0.000 1.008 501 F HN 0.281 nan 8.300 nan 0.000 0.480 502 Y N -0.381 119.921 120.300 0.002 0.000 2.293 502 Y HA -0.177 4.373 4.550 0.000 0.000 0.291 502 Y C 2.338 178.195 175.900 -0.072 0.000 1.137 502 Y CA 0.531 58.593 58.100 -0.064 0.000 1.202 502 Y CB -0.324 38.171 38.460 0.058 0.000 0.990 502 Y HN 0.065 nan 8.280 nan 0.000 0.537 503 L N -0.580 120.731 121.223 0.146 0.000 2.027 503 L HA -0.260 4.080 4.340 0.000 0.000 0.206 503 L C 2.674 179.588 176.870 0.073 0.000 1.074 503 L CA 0.975 55.902 54.840 0.145 0.000 0.745 503 L CB -0.446 41.749 42.059 0.226 0.000 0.898 503 L HN 0.339 nan 8.230 nan 0.000 0.433 504 M N -0.088 119.513 119.600 0.002 0.000 2.117 504 M HA -0.215 4.265 4.480 0.000 0.000 0.262 504 M C 2.337 178.521 176.300 -0.194 0.000 1.065 504 M CA 1.957 57.164 55.300 -0.155 0.000 1.114 504 M CB -0.574 31.739 32.600 -0.478 0.000 1.361 504 M HN 0.253 nan 8.290 nan 0.000 0.408 505 L N 0.907 121.957 121.223 -0.288 0.000 2.043 505 L HA -0.083 4.258 4.340 0.000 0.000 0.212 505 L C 2.321 179.099 176.870 -0.153 0.000 1.075 505 L CA 2.406 57.101 54.840 -0.243 0.000 0.752 505 L CB -1.416 40.452 42.059 -0.318 0.000 0.891 505 L HN 0.399 nan 8.230 nan 0.000 0.432 506 G N -0.884 107.843 108.800 -0.122 0.000 2.459 506 G HA2 -0.363 3.597 3.960 0.000 0.000 0.217 506 G HA3 -0.363 3.597 3.960 0.000 0.000 0.217 506 G C 1.807 176.612 174.900 -0.158 0.000 1.183 506 G CA 0.912 45.940 45.100 -0.121 0.000 0.776 506 G HN 0.463 nan 8.290 nan 0.000 0.552 507 R N -1.120 119.271 120.500 -0.181 0.000 2.090 507 R HA -0.055 4.285 4.340 0.000 0.000 0.228 507 R C 2.259 178.397 176.300 -0.269 0.000 1.110 507 R CA 1.112 57.014 56.100 -0.330 0.000 0.973 507 R CB -0.550 29.384 30.300 -0.610 0.000 0.869 507 R HN 0.415 nan 8.270 nan 0.000 0.440 508 Y N 0.825 120.962 120.300 -0.271 0.000 2.081 508 Y HA -0.285 4.266 4.550 0.000 0.000 0.280 508 Y C 1.974 177.757 175.900 -0.193 0.000 1.163 508 Y CA 2.185 60.169 58.100 -0.193 0.000 1.135 508 Y CB -0.366 38.046 38.460 -0.081 0.000 0.970 508 Y HN -0.118 nan 8.280 nan 0.000 0.498 509 V N 0.090 119.932 119.914 -0.120 0.000 2.515 509 V HA -0.246 3.874 4.120 0.000 0.000 0.250 509 V C 2.594 178.537 176.094 -0.252 0.000 1.058 509 V CA 1.737 63.908 62.300 -0.214 0.000 1.064 509 V CB -1.583 30.060 31.823 -0.299 0.000 0.675 509 V HN 0.657 nan 8.190 nan 0.000 0.461 510 G N 0.287 108.931 108.800 -0.261 0.000 2.418 510 G HA2 -0.206 3.754 3.960 0.000 0.000 0.217 510 G HA3 -0.206 3.754 3.960 0.000 0.000 0.217 510 G C 1.470 176.207 174.900 -0.272 0.000 1.158 510 G CA 0.830 45.766 45.100 -0.274 0.000 0.771 510 G HN 0.390 nan 8.290 nan 0.000 0.545 511 I N 0.773 121.156 120.570 -0.311 0.000 2.315 511 I HA -0.049 4.121 4.170 0.000 0.000 0.248 511 I C 2.502 178.457 176.117 -0.269 0.000 1.117 511 I CA 0.986 62.111 61.300 -0.291 0.000 1.404 511 I CB -0.624 37.171 38.000 -0.341 0.000 1.071 511 I HN 0.099 nan 8.210 nan 0.000 0.419 512 K N 0.752 120.952 120.400 -0.333 0.000 2.097 512 K HA -0.058 4.262 4.320 0.000 0.000 0.206 512 K C 2.104 178.615 176.600 -0.148 0.000 1.049 512 K CA 1.138 57.272 56.287 -0.255 0.000 0.933 512 K CB -0.338 32.004 32.500 -0.264 0.000 0.717 512 K HN 0.356 nan 8.250 nan 0.000 0.442 513 I N 0.874 121.354 120.570 -0.151 0.000 2.353 513 I HA -0.227 3.943 4.170 0.000 0.000 0.248 513 I C 2.244 178.323 176.117 -0.064 0.000 1.119 513 I CA 0.811 62.048 61.300 -0.105 0.000 1.417 513 I CB -0.198 37.694 38.000 -0.179 0.000 1.078 513 I HN 0.023 nan 8.210 nan 0.000 0.421 514 L N 0.038 121.213 121.223 -0.081 0.000 2.093 514 L HA -0.219 4.121 4.340 0.000 0.000 0.208 514 L C 2.591 179.463 176.870 0.004 0.000 1.085 514 L CA 1.394 56.236 54.840 0.003 0.000 0.755 514 L CB -0.566 41.472 42.059 -0.035 0.000 0.904 514 L HN 0.332 nan 8.230 nan 0.000 0.435 515 Q N -0.370 119.401 119.800 -0.049 0.000 2.167 515 Q HA -0.243 4.098 4.340 0.000 0.000 0.202 515 Q C 2.017 178.007 176.000 -0.016 0.000 0.970 515 Q CA 1.325 57.104 55.803 -0.041 0.000 0.855 515 Q CB -0.041 28.652 28.738 -0.075 0.000 0.911 515 Q HN 0.504 nan 8.270 nan 0.000 0.438 516 E N 0.598 120.788 120.200 -0.017 0.000 2.072 516 E HA -0.164 4.186 4.350 0.000 0.000 0.191 516 E C 2.029 178.644 176.600 0.024 0.000 0.985 516 E CA 0.572 56.971 56.400 -0.001 0.000 0.801 516 E CB 0.278 29.975 29.700 -0.004 0.000 0.750 516 E HN 0.101 nan 8.360 nan 0.000 0.452 517 R N 0.249 120.779 120.500 0.051 0.000 2.092 517 R HA -0.020 4.320 4.340 0.000 0.000 0.231 517 R C 2.459 178.816 176.300 0.096 0.000 1.119 517 R CA 1.023 57.178 56.100 0.092 0.000 0.970 517 R CB -0.741 29.670 30.300 0.186 0.000 0.864 517 R HN 0.124 nan 8.270 nan 0.000 0.440 518 S N 1.009 116.754 115.700 0.075 0.000 2.368 518 S HA -0.114 4.356 4.470 0.000 0.000 0.225 518 S C 2.027 176.647 174.600 0.032 0.000 1.030 518 S CA 1.318 59.548 58.200 0.050 0.000 0.999 518 S CB -0.181 63.033 63.200 0.023 0.000 0.844 518 S HN 0.479 nan 8.310 nan 0.000 0.459 519 A N 1.427 124.260 122.820 0.022 0.000 1.969 519 A HA -0.060 4.260 4.320 0.000 0.000 0.218 519 A C 2.228 179.823 177.584 0.018 0.000 1.169 519 A CA 1.764 53.809 52.037 0.014 0.000 0.635 519 A CB -0.622 18.382 19.000 0.006 0.000 0.810 519 A HN 0.601 nan 8.150 nan 0.000 0.445 520 S N -0.497 115.218 115.700 0.025 0.000 2.558 520 S HA 0.041 4.511 4.470 0.000 0.000 0.217 520 S C 0.282 174.900 174.600 0.030 0.000 0.975 520 S CA -0.107 58.107 58.200 0.023 0.000 0.912 520 S CB -0.274 62.938 63.200 0.021 0.000 0.776 520 S HN 0.426 nan 8.310 nan 0.000 0.526 521 D N 0.000 120.424 120.400 0.039 0.000 6.856 521 D HA 0.000 4.640 4.640 0.000 0.000 0.175 521 D CA 0.000 54.025 54.000 0.042 0.000 0.868 521 D CB 0.000 40.830 40.800 0.050 0.000 0.688 521 D HN 0.000 nan 8.370 nan 0.000 0.683