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 3gdn_1_A 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 0.000 176.701 176.870 -0.282 0.000 1.165 1 L CA 0.000 54.708 54.840 -0.220 0.000 0.813 1 L CB 0.000 41.978 42.059 -0.135 0.000 0.961 2 A N 0.125 122.644 122.820 -0.501 0.000 2.242 2 A HA 0.887 5.206 4.320 -0.001 0.000 0.304 2 A C -0.350 177.089 177.584 -0.242 0.000 1.100 2 A CA -0.295 51.455 52.037 -0.478 0.000 0.860 2 A CB 1.087 19.616 19.000 -0.784 0.000 1.168 2 A HN 0.586 nan 8.150 nan 0.000 0.503 3 T N 1.206 115.735 114.554 -0.041 0.000 2.797 3 T HA 0.442 4.791 4.350 -0.001 0.000 0.279 3 T C 0.005 174.826 174.700 0.201 0.000 0.991 3 T CA -0.105 62.050 62.100 0.092 0.000 0.979 3 T CB 0.991 69.867 68.868 0.015 0.000 0.943 3 T HN 0.659 nan 8.240 nan 0.000 0.444 4 T N 4.003 118.654 114.554 0.162 0.000 2.830 4 T HA 0.259 4.608 4.350 -0.001 0.000 0.282 4 T C 0.458 175.177 174.700 0.032 0.000 1.024 4 T CA 0.345 62.447 62.100 0.004 0.000 1.144 4 T CB -0.240 68.610 68.868 -0.030 0.000 1.035 4 T HN 0.862 nan 8.240 nan 0.000 0.507 5 S N 2.025 117.758 115.700 0.056 0.000 2.611 5 S HA 0.428 4.897 4.470 -0.001 0.000 0.268 5 S C -1.646 173.064 174.600 0.184 0.000 1.156 5 S CA -1.295 56.960 58.200 0.092 0.000 0.817 5 S CB 1.281 64.519 63.200 0.063 0.000 1.122 5 S HN 0.474 nan 8.310 nan 0.000 0.466 6 D N 1.010 121.484 120.400 0.124 0.000 2.368 6 D HA 0.197 4.836 4.640 -0.001 0.000 0.240 6 D C 0.094 176.477 176.300 0.138 0.000 1.169 6 D CA 0.378 54.445 54.000 0.111 0.000 0.906 6 D CB 0.027 40.880 40.800 0.088 0.000 1.187 6 D HN 0.731 nan 8.370 nan 0.000 0.435 7 H N 0.713 119.733 119.070 -0.082 0.000 3.004 7 H HA -0.035 4.521 4.556 -0.001 0.000 0.316 7 H C -0.297 174.873 175.328 -0.264 0.000 1.014 7 H CA 0.173 56.066 56.048 -0.259 0.000 1.454 7 H CB 0.406 29.916 29.762 -0.421 0.000 1.472 7 H HN 0.047 nan 8.280 nan 0.000 0.571 8 D N 4.967 125.138 120.400 -0.382 0.000 2.352 8 D HA -0.024 4.615 4.640 -0.001 0.000 0.245 8 D C -0.482 175.638 176.300 -0.300 0.000 1.224 8 D CA 0.015 53.881 54.000 -0.224 0.000 0.879 8 D CB -0.278 40.442 40.800 -0.133 0.000 1.057 8 D HN 0.535 nan 8.370 nan 0.000 0.491 9 F N 1.867 121.759 119.950 -0.098 0.000 2.819 9 F HA 0.102 4.629 4.527 -0.001 0.000 0.294 9 F C 2.103 177.604 175.800 -0.499 0.000 1.166 9 F CA -0.391 57.367 58.000 -0.403 0.000 1.374 9 F CB 0.391 39.203 39.000 -0.314 0.000 0.956 9 F HN 0.241 nan 8.300 nan 0.000 0.509 10 S N -0.399 115.212 115.700 -0.149 0.000 2.399 10 S HA -0.245 4.225 4.470 -0.001 0.000 0.231 10 S C 1.859 176.320 174.600 -0.232 0.000 1.022 10 S CA 1.234 59.364 58.200 -0.116 0.000 0.983 10 S CB -0.490 62.707 63.200 -0.005 0.000 0.803 10 S HN 0.721 nan 8.310 nan 0.000 0.480 11 Y N 1.230 121.389 120.300 -0.236 0.000 2.569 11 Y HA 0.116 4.665 4.550 -0.001 0.000 0.293 11 Y C 1.467 176.793 175.900 -0.957 0.000 1.144 11 Y CA 0.203 57.824 58.100 -0.800 0.000 1.321 11 Y CB -1.040 37.139 38.460 -0.467 0.000 0.982 11 Y HN 0.116 nan 8.280 nan 0.000 0.558 12 L N 0.855 121.634 121.223 -0.739 0.000 2.349 12 L HA -0.200 4.140 4.340 -0.001 0.000 0.220 12 L C 2.601 179.227 176.870 -0.407 0.000 1.130 12 L CA 1.440 55.982 54.840 -0.497 0.000 0.791 12 L CB -0.745 41.062 42.059 -0.419 0.000 0.918 12 L HN 0.545 nan 8.230 nan 0.000 0.444 13 S N 0.642 116.115 115.700 -0.379 0.000 2.442 13 S HA -0.173 4.296 4.470 -0.001 0.000 0.236 13 S C 1.195 175.734 174.600 -0.103 0.000 1.007 13 S CA 0.828 58.919 58.200 -0.181 0.000 0.965 13 S CB -0.493 62.691 63.200 -0.027 0.000 0.773 13 S HN 0.568 nan 8.310 nan 0.000 0.504 14 F N 0.205 120.139 119.950 -0.027 0.000 2.805 14 F HA 0.843 5.370 4.527 -0.001 0.000 0.317 14 F C 0.102 175.895 175.800 -0.011 0.000 1.146 14 F CA -1.649 56.377 58.000 0.042 0.000 1.265 14 F CB -0.265 38.858 39.000 0.205 0.000 0.992 14 F HN 0.244 nan 8.300 nan 0.000 0.511 15 A N 0.742 123.394 122.820 -0.280 0.000 2.292 15 A HA 0.768 5.088 4.320 -0.001 0.000 0.319 15 A C -1.577 175.764 177.584 -0.405 0.000 1.206 15 A CA -0.390 51.577 52.037 -0.115 0.000 0.835 15 A CB 0.535 19.508 19.000 -0.044 0.000 1.164 15 A HN 0.395 nan 8.150 nan 0.000 0.505 16 Y N 0.176 120.524 120.300 0.080 0.000 2.553 16 Y HA 0.385 4.935 4.550 -0.001 0.000 0.347 16 Y C 0.043 175.971 175.900 0.047 0.000 1.019 16 Y CA -1.038 57.104 58.100 0.069 0.000 1.032 16 Y CB 1.534 40.051 38.460 0.095 0.000 1.284 16 Y HN 0.706 nan 8.280 nan 0.000 0.466 17 D N 0.804 121.338 120.400 0.224 0.000 2.302 17 D HA 0.256 4.896 4.640 -0.001 0.000 0.248 17 D C 0.868 177.280 176.300 0.188 0.000 1.094 17 D CA 0.344 54.456 54.000 0.187 0.000 0.897 17 D CB 2.069 42.996 40.800 0.212 0.000 1.200 17 D HN 0.801 nan 8.370 nan 0.000 0.429 18 A N 2.857 125.764 122.820 0.147 0.000 1.986 18 A HA -0.227 4.093 4.320 -0.001 0.000 0.220 18 A C 2.026 179.673 177.584 0.104 0.000 1.171 18 A CA 2.490 54.579 52.037 0.086 0.000 0.640 18 A CB -0.942 18.104 19.000 0.077 0.000 0.811 18 A HN 0.767 nan 8.150 nan 0.000 0.451 19 T N -3.105 111.553 114.554 0.173 0.000 3.007 19 T HA -0.084 4.265 4.350 -0.001 0.000 0.270 19 T C 0.929 175.768 174.700 0.231 0.000 1.107 19 T CA 1.455 63.687 62.100 0.220 0.000 1.118 19 T CB -0.233 68.732 68.868 0.162 0.000 0.889 19 T HN 0.398 nan 8.240 nan 0.000 0.506 20 D N 0.465 120.994 120.400 0.214 0.000 2.360 20 D HA 0.306 4.945 4.640 -0.001 0.000 0.210 20 D C 0.610 177.015 176.300 0.174 0.000 1.047 20 D CA -0.046 54.074 54.000 0.200 0.000 0.854 20 D CB 0.157 41.098 40.800 0.235 0.000 0.936 20 D HN 0.422 nan 8.370 nan 0.000 0.514 21 L N 2.085 123.429 121.223 0.202 0.000 2.453 21 L HA 0.099 4.438 4.340 -0.001 0.000 0.261 21 L C 1.122 178.162 176.870 0.284 0.000 1.179 21 L CA -0.794 54.154 54.840 0.180 0.000 0.813 21 L CB 0.587 42.771 42.059 0.208 0.000 1.110 21 L HN -0.012 nan 8.230 nan 0.000 0.466 22 E N 2.457 122.791 120.200 0.223 0.000 2.418 22 E HA -0.027 4.322 4.350 -0.001 0.000 0.261 22 E C 0.605 177.354 176.600 0.249 0.000 1.070 22 E CA -0.075 56.436 56.400 0.184 0.000 0.931 22 E CB 0.765 30.541 29.700 0.127 0.000 0.954 22 E HN 0.551 nan 8.360 nan 0.000 0.439 23 L N 0.039 121.290 121.223 0.047 0.000 2.141 23 L HA -0.033 4.306 4.340 -0.001 0.000 0.209 23 L C 1.348 178.227 176.870 0.014 0.000 1.094 23 L CA 1.226 55.980 54.840 -0.143 0.000 0.763 23 L CB -0.195 41.748 42.059 -0.193 0.000 0.908 23 L HN 0.665 nan 8.230 nan 0.000 0.437 24 E N -0.100 120.162 120.200 0.103 0.000 2.283 24 E HA 0.445 4.795 4.350 -0.001 0.000 0.258 24 E C -0.763 175.962 176.600 0.208 0.000 0.893 24 E CA -0.373 56.142 56.400 0.191 0.000 0.798 24 E CB 1.520 31.326 29.700 0.176 0.000 1.242 24 E HN 0.064 nan 8.360 nan 0.000 0.414 25 G N 1.400 110.377 108.800 0.294 0.000 2.511 25 G HA2 0.515 4.475 3.960 -0.001 0.000 0.318 25 G HA3 0.515 4.475 3.960 -0.001 0.000 0.318 25 G C -1.235 173.789 174.900 0.206 0.000 1.210 25 G CA -0.615 44.613 45.100 0.214 0.000 0.969 25 G HN 0.321 nan 8.290 nan 0.000 0.484 26 S N -0.428 115.180 115.700 -0.153 0.000 2.561 26 S HA 0.796 5.265 4.470 -0.001 0.000 0.303 26 S C -1.468 172.868 174.600 -0.440 0.000 1.110 26 S CA -0.603 57.541 58.200 -0.093 0.000 1.034 26 S CB 0.518 63.671 63.200 -0.079 0.000 1.010 26 S HN 0.441 nan 8.310 nan 0.000 0.482 27 Y N 1.297 121.629 120.300 0.053 0.000 2.715 27 Y HA 0.452 5.002 4.550 -0.001 0.000 0.331 27 Y C 0.969 176.845 175.900 -0.041 0.000 1.197 27 Y CA -0.977 57.138 58.100 0.025 0.000 1.079 27 Y CB 0.854 39.336 38.460 0.036 0.000 1.298 27 Y HN 0.491 nan 8.280 nan 0.000 0.477 28 D N -0.490 119.982 120.400 0.119 0.000 2.201 28 D HA 0.000 4.639 4.640 -0.001 0.000 0.209 28 D C -0.727 175.242 176.300 -0.551 0.000 0.961 28 D CA 1.624 55.499 54.000 -0.208 0.000 0.861 28 D CB 0.329 41.077 40.800 -0.086 0.000 0.997 28 D HN 0.338 nan 8.370 nan 0.000 0.486 29 Y N -0.439 119.902 120.300 0.068 0.000 2.492 29 Y HA 0.420 4.970 4.550 -0.001 0.000 0.346 29 Y C -0.414 175.466 175.900 -0.034 0.000 0.997 29 Y CA -0.951 57.150 58.100 0.001 0.000 1.025 29 Y CB 2.395 40.839 38.460 -0.025 0.000 1.263 29 Y HN -0.417 nan 8.280 nan 0.000 0.454 30 V N 5.194 125.150 119.914 0.070 0.000 2.444 30 V HA 0.418 4.538 4.120 -0.001 0.000 0.294 30 V C -0.717 175.355 176.094 -0.036 0.000 1.022 30 V CA -0.707 61.559 62.300 -0.056 0.000 0.850 30 V CB 1.411 33.184 31.823 -0.082 0.000 0.992 30 V HN 0.499 nan 8.190 nan 0.000 0.426 31 I N 5.590 126.117 120.570 -0.071 0.000 2.339 31 I HA 0.381 4.550 4.170 -0.001 0.000 0.290 31 I C 0.022 176.090 176.117 -0.082 0.000 0.994 31 I CA -0.678 60.587 61.300 -0.058 0.000 1.191 31 I CB 1.686 39.653 38.000 -0.055 0.000 1.343 31 I HN 0.224 nan 8.210 nan 0.000 0.458 32 V N 5.293 125.170 119.914 -0.062 0.000 2.348 32 V HA 0.709 4.828 4.120 -0.001 0.000 0.270 32 V C 0.597 176.665 176.094 -0.043 0.000 1.037 32 V CA -0.278 61.985 62.300 -0.061 0.000 0.872 32 V CB 0.590 32.386 31.823 -0.045 0.000 1.002 32 V HN 1.070 nan 8.190 nan 0.000 0.464 33 G N 3.619 112.391 108.800 -0.046 0.000 3.238 33 G HA2 0.060 4.020 3.960 -0.001 0.000 0.684 33 G HA3 0.060 4.020 3.960 -0.001 0.000 0.684 33 G C 0.122 175.007 174.900 -0.025 0.000 1.156 33 G CA -0.551 44.534 45.100 -0.025 0.000 1.048 33 G HN 1.265 nan 8.290 nan 0.000 0.462 34 G N 1.020 109.806 108.800 -0.023 0.000 3.636 34 G HA2 0.658 4.617 3.960 -0.001 0.000 0.260 34 G HA3 0.658 4.617 3.960 -0.001 0.000 0.260 34 G C 0.868 175.766 174.900 -0.003 0.000 1.014 34 G CA 0.851 45.938 45.100 -0.022 0.000 1.797 34 G HN 1.210 nan 8.290 nan 0.000 0.637 35 G N 0.064 108.868 108.800 0.007 0.000 2.782 35 G HA2 0.381 4.340 3.960 -0.001 0.000 0.201 35 G HA3 0.381 4.340 3.960 -0.001 0.000 0.201 35 G C 1.192 176.116 174.900 0.039 0.000 1.374 35 G CA 0.385 45.502 45.100 0.030 0.000 1.039 35 G HN 0.141 nan 8.290 nan 0.000 0.576 36 T N 0.593 115.185 114.554 0.064 0.000 2.635 36 T HA -0.142 4.207 4.350 -0.001 0.000 0.267 36 T C 2.653 177.401 174.700 0.079 0.000 1.040 36 T CA 2.164 64.319 62.100 0.092 0.000 1.156 36 T CB -0.316 68.637 68.868 0.141 0.000 0.863 36 T HN 0.266 nan 8.240 nan 0.000 0.430 37 S N 0.418 116.147 115.700 0.048 0.000 2.421 37 S HA 0.157 4.627 4.470 -0.001 0.000 0.224 37 S C 2.471 177.064 174.600 -0.012 0.000 1.035 37 S CA 0.612 58.820 58.200 0.013 0.000 0.953 37 S CB -0.590 62.596 63.200 -0.025 0.000 0.810 37 S HN 0.606 nan 8.310 nan 0.000 0.497 38 G N 0.931 109.724 108.800 -0.012 0.000 2.440 38 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.218 38 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.218 38 G C 1.571 176.461 174.900 -0.017 0.000 1.154 38 G CA 1.289 46.375 45.100 -0.024 0.000 0.767 38 G HN 0.544 nan 8.290 nan 0.000 0.552 39 C N 1.402 120.702 119.300 0.001 0.000 2.436 39 C HA 0.003 4.463 4.460 -0.001 0.000 0.277 39 C C 0.872 175.892 174.990 0.049 0.000 1.241 39 C CA 1.496 60.518 59.018 0.008 0.000 1.721 39 C CB -0.849 26.887 27.740 -0.006 0.000 2.043 39 C HN 0.412 nan 8.230 nan 0.000 0.472 40 P HA -0.101 nan 4.420 nan 0.000 0.218 40 P C 1.636 178.935 177.300 -0.001 0.000 1.149 40 P CA 1.290 64.484 63.100 0.157 0.000 0.817 40 P CB -0.238 31.588 31.700 0.210 0.000 0.785 41 L N 0.536 121.729 121.223 -0.050 0.000 1.994 41 L HA -0.056 4.284 4.340 -0.001 0.000 0.208 41 L C 2.536 179.341 176.870 -0.110 0.000 1.071 41 L CA 2.300 57.070 54.840 -0.116 0.000 0.745 41 L CB -1.656 40.334 42.059 -0.115 0.000 0.892 41 L HN -0.083 nan 8.230 nan 0.000 0.431 42 A N -0.319 122.463 122.820 -0.063 0.000 1.902 42 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 42 A C 2.461 180.025 177.584 -0.033 0.000 1.181 42 A CA 2.017 54.023 52.037 -0.052 0.000 0.623 42 A CB -1.281 17.702 19.000 -0.029 0.000 0.818 42 A HN 0.636 nan 8.150 nan 0.000 0.443 43 A N -1.033 121.796 122.820 0.016 0.000 1.877 43 A HA -0.092 4.228 4.320 -0.001 0.000 0.216 43 A C 2.323 179.920 177.584 0.021 0.000 1.186 43 A CA 2.341 54.418 52.037 0.065 0.000 0.620 43 A CB -1.308 17.816 19.000 0.207 0.000 0.822 43 A HN 0.434 nan 8.150 nan 0.000 0.443 44 T N 0.572 115.090 114.554 -0.060 0.000 2.708 44 T HA -0.100 4.250 4.350 -0.001 0.000 0.266 44 T C 1.816 176.437 174.700 -0.131 0.000 1.037 44 T CA 1.533 63.537 62.100 -0.160 0.000 1.146 44 T CB -0.420 68.266 68.868 -0.303 0.000 0.865 44 T HN 0.362 nan 8.240 nan 0.000 0.435 45 L N 1.648 122.781 121.223 -0.150 0.000 2.083 45 L HA -0.101 4.239 4.340 -0.001 0.000 0.209 45 L C 2.821 179.684 176.870 -0.011 0.000 1.083 45 L CA 1.387 56.137 54.840 -0.150 0.000 0.752 45 L CB -0.740 41.122 42.059 -0.329 0.000 0.899 45 L HN 0.385 nan 8.230 nan 0.000 0.433 46 S N -0.917 114.773 115.700 -0.017 0.000 2.507 46 S HA -0.165 4.304 4.470 -0.001 0.000 0.235 46 S C 1.555 176.140 174.600 -0.024 0.000 0.988 46 S CA 0.784 58.984 58.200 -0.000 0.000 0.944 46 S CB -0.329 62.841 63.200 -0.050 0.000 0.762 46 S HN 0.475 nan 8.310 nan 0.000 0.526 47 E N 1.078 121.257 120.200 -0.035 0.000 2.204 47 E HA -0.085 4.265 4.350 -0.001 0.000 0.195 47 E C 1.803 178.345 176.600 -0.097 0.000 0.990 47 E CA 1.063 57.434 56.400 -0.049 0.000 0.821 47 E CB 0.017 29.687 29.700 -0.049 0.000 0.750 47 E HN 0.652 nan 8.360 nan 0.000 0.477 48 K N -1.648 118.664 120.400 -0.147 0.000 2.511 48 K HA 0.147 4.466 4.320 -0.001 0.000 0.206 48 K C -0.183 176.099 176.600 -0.531 0.000 1.333 48 K CA 0.025 56.089 56.287 -0.372 0.000 0.957 48 K CB 0.914 33.089 32.500 -0.542 0.000 1.172 48 K HN -0.048 nan 8.250 nan 0.000 0.547 49 Y N 1.090 121.429 120.300 0.066 0.000 2.630 49 Y HA 0.327 4.877 4.550 -0.001 0.000 0.337 49 Y C -0.057 175.919 175.900 0.128 0.000 1.051 49 Y CA -1.374 56.805 58.100 0.130 0.000 1.121 49 Y CB 0.913 39.548 38.460 0.291 0.000 1.299 49 Y HN -0.419 nan 8.280 nan 0.000 0.498 50 K N 1.925 122.529 120.400 0.340 0.000 2.316 50 K HA 0.391 4.710 4.320 -0.001 0.000 0.289 50 K C -1.061 175.744 176.600 0.342 0.000 1.070 50 K CA -0.144 56.307 56.287 0.273 0.000 0.928 50 K CB 0.734 33.366 32.500 0.221 0.000 1.039 50 K HN 0.376 nan 8.250 nan 0.000 0.480 51 V N 4.091 124.151 119.914 0.243 0.000 2.680 51 V HA 0.426 4.545 4.120 -0.001 0.000 0.309 51 V C -0.738 175.321 176.094 -0.057 0.000 1.052 51 V CA -1.153 61.228 62.300 0.135 0.000 0.908 51 V CB 2.009 33.880 31.823 0.079 0.000 1.001 51 V HN 0.547 nan 8.190 nan 0.000 0.431 52 L N 5.321 126.367 121.223 -0.296 0.000 2.376 52 L HA 0.765 5.104 4.340 -0.001 0.000 0.275 52 L C -0.785 175.911 176.870 -0.289 0.000 0.987 52 L CA -0.083 54.454 54.840 -0.505 0.000 0.828 52 L CB 1.899 43.221 42.059 -1.228 0.000 1.249 52 L HN 0.446 nan 8.230 nan 0.000 0.409 53 V N 6.247 126.051 119.914 -0.183 0.000 2.435 53 V HA 0.493 4.612 4.120 -0.001 0.000 0.290 53 V C -0.169 175.821 176.094 -0.174 0.000 1.030 53 V CA -0.521 61.698 62.300 -0.135 0.000 0.881 53 V CB 1.592 33.380 31.823 -0.060 0.000 0.983 53 V HN 0.606 nan 8.190 nan 0.000 0.445 54 L N 4.154 125.259 121.223 -0.196 0.000 2.319 54 L HA 0.637 4.976 4.340 -0.001 0.000 0.281 54 L C -0.450 176.337 176.870 -0.138 0.000 1.005 54 L CA -0.371 54.322 54.840 -0.245 0.000 0.828 54 L CB 1.745 43.580 42.059 -0.373 0.000 1.227 54 L HN 0.648 nan 8.230 nan 0.000 0.415 55 E N 2.623 122.762 120.200 -0.101 0.000 2.176 55 E HA 0.304 4.654 4.350 -0.001 0.000 0.267 55 E C 0.693 177.281 176.600 -0.019 0.000 0.893 55 E CA -0.734 55.638 56.400 -0.047 0.000 0.761 55 E CB 1.315 30.995 29.700 -0.032 0.000 1.133 55 E HN 0.513 nan 8.360 nan 0.000 0.409 56 R N 2.713 123.221 120.500 0.013 0.000 2.115 56 R HA 0.138 4.477 4.340 -0.001 0.000 0.230 56 R C 0.982 177.343 176.300 0.103 0.000 1.111 56 R CA 0.909 57.043 56.100 0.058 0.000 0.976 56 R CB -0.285 30.047 30.300 0.053 0.000 0.870 56 R HN 0.344 nan 8.270 nan 0.000 0.445 57 G N 0.483 109.327 108.800 0.072 0.000 2.563 57 G HA2 0.325 4.285 3.960 -0.001 0.000 0.283 57 G HA3 0.325 4.285 3.960 -0.001 0.000 0.283 57 G C -0.773 174.151 174.900 0.040 0.000 1.309 57 G CA -0.700 44.461 45.100 0.102 0.000 1.022 57 G HN 0.222 nan 8.290 nan 0.000 0.501 58 S N -1.502 114.260 115.700 0.103 0.000 2.713 58 S HA 0.449 4.919 4.470 -0.001 0.000 0.277 58 S C 0.314 174.926 174.600 0.020 0.000 1.168 58 S CA -0.549 57.640 58.200 -0.017 0.000 0.994 58 S CB 0.884 64.303 63.200 0.365 0.000 1.054 58 S HN 0.388 nan 8.310 nan 0.000 0.555 59 L N 1.772 122.992 121.223 -0.005 0.000 2.436 59 L HA 0.215 4.554 4.340 -0.001 0.000 0.265 59 L C -1.599 175.356 176.870 0.141 0.000 1.168 59 L CA -1.608 53.277 54.840 0.075 0.000 0.815 59 L CB 0.182 42.243 42.059 0.004 0.000 1.109 59 L HN 0.442 nan 8.230 nan 0.000 0.462 60 P HA -0.145 nan 4.420 nan 0.000 0.219 60 P C 1.389 178.751 177.300 0.103 0.000 1.146 60 P CA 1.149 64.383 63.100 0.224 0.000 0.808 60 P CB -0.001 31.895 31.700 0.326 0.000 0.779 61 T N -3.161 111.336 114.554 -0.094 0.000 2.929 61 T HA -0.063 4.286 4.350 -0.001 0.000 0.271 61 T C 1.806 176.406 174.700 -0.167 0.000 1.085 61 T CA 1.079 63.023 62.100 -0.260 0.000 1.125 61 T CB -0.976 67.599 68.868 -0.489 0.000 0.874 61 T HN 0.018 nan 8.240 nan 0.000 0.494 62 A N 0.162 122.912 122.820 -0.116 0.000 2.119 62 A HA 0.249 4.569 4.320 -0.001 0.000 0.217 62 A C 0.389 177.616 177.584 -0.594 0.000 1.153 62 A CA 0.226 52.087 52.037 -0.293 0.000 0.692 62 A CB -0.434 18.436 19.000 -0.217 0.000 0.799 62 A HN 0.672 nan 8.150 nan 0.000 0.458 63 Y N -1.649 118.659 120.300 0.013 0.000 2.592 63 Y HA 0.313 4.863 4.550 -0.001 0.000 0.354 63 Y C -2.084 173.827 175.900 0.019 0.000 1.063 63 Y CA -2.042 56.080 58.100 0.037 0.000 1.205 63 Y CB 0.868 39.369 38.460 0.069 0.000 1.106 63 Y HN 0.111 nan 8.280 nan 0.000 0.649 64 P HA -0.244 nan 4.420 nan 0.000 0.218 64 P C 1.048 178.359 177.300 0.019 0.000 1.152 64 P CA 1.642 64.746 63.100 0.007 0.000 0.857 64 P CB 0.355 32.027 31.700 -0.048 0.000 0.787 65 N N -0.801 117.910 118.700 0.018 0.000 2.609 65 N HA -0.065 4.674 4.740 -0.001 0.000 0.190 65 N C 1.297 176.869 175.510 0.104 0.000 1.157 65 N CA 0.862 53.906 53.050 -0.010 0.000 0.918 65 N CB -0.290 38.092 38.487 -0.176 0.000 0.978 65 N HN 0.209 nan 8.380 nan 0.000 0.448 66 V N -2.324 117.670 119.914 0.134 0.000 3.623 66 V HA 0.150 4.269 4.120 -0.001 0.000 0.271 66 V C 1.429 177.596 176.094 0.121 0.000 1.248 66 V CA 0.624 63.013 62.300 0.149 0.000 1.156 66 V CB -0.565 31.341 31.823 0.139 0.000 0.870 66 V HN 0.079 nan 8.190 nan 0.000 0.453 67 L N 1.706 122.974 121.223 0.075 0.000 2.607 67 L HA 0.332 4.672 4.340 -0.001 0.000 0.228 67 L C 0.873 177.789 176.870 0.076 0.000 1.123 67 L CA 0.661 55.516 54.840 0.025 0.000 0.890 67 L CB -0.036 42.011 42.059 -0.020 0.000 1.103 67 L HN 0.624 nan 8.230 nan 0.000 0.468 68 T N -5.460 109.164 114.554 0.117 0.000 2.903 68 T HA 0.601 4.950 4.350 -0.001 0.000 0.299 68 T C 0.765 175.499 174.700 0.057 0.000 1.093 68 T CA -0.141 62.006 62.100 0.077 0.000 1.002 68 T CB 2.506 71.375 68.868 0.002 0.000 1.127 68 T HN -0.081 nan 8.240 nan 0.000 0.488 69 A N 1.406 124.089 122.820 -0.227 0.000 1.930 69 A HA -0.005 4.314 4.320 -0.001 0.000 0.217 69 A C 1.659 179.112 177.584 -0.219 0.000 1.175 69 A CA 1.791 53.396 52.037 -0.719 0.000 0.627 69 A CB -1.101 17.276 19.000 -1.038 0.000 0.815 69 A HN 0.989 nan 8.150 nan 0.000 0.443 70 D N -1.025 119.313 120.400 -0.104 0.000 2.338 70 D HA 0.180 4.820 4.640 -0.001 0.000 0.239 70 D C 1.088 177.421 176.300 0.056 0.000 1.095 70 D CA 0.795 54.790 54.000 -0.008 0.000 0.888 70 D CB -0.488 40.296 40.800 -0.026 0.000 0.899 70 D HN 0.280 nan 8.370 nan 0.000 0.525 71 G N -1.030 107.823 108.800 0.088 0.000 3.159 71 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.232 71 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.232 71 G C 0.768 175.805 174.900 0.229 0.000 1.116 71 G CA -0.391 44.784 45.100 0.125 0.000 0.767 71 G HN 0.203 nan 8.290 nan 0.000 0.547 72 F N 1.910 121.920 119.950 0.100 0.000 2.043 72 F HA -0.183 4.344 4.527 -0.001 0.000 0.297 72 F C 2.437 178.264 175.800 0.046 0.000 1.121 72 F CA 1.877 59.939 58.000 0.104 0.000 1.199 72 F CB -0.473 38.599 39.000 0.118 0.000 0.968 72 F HN -0.003 nan 8.300 nan 0.000 0.478 73 V N -0.345 119.466 119.914 -0.172 0.000 2.407 73 V HA -0.307 3.812 4.120 -0.001 0.000 0.248 73 V C 2.125 178.076 176.094 -0.239 0.000 1.055 73 V CA 2.028 64.107 62.300 -0.368 0.000 1.049 73 V CB -1.227 30.520 31.823 -0.127 0.000 0.662 73 V HN 0.584 nan 8.190 nan 0.000 0.455 74 Y N 2.015 122.227 120.300 -0.147 0.000 2.081 74 Y HA -0.352 4.197 4.550 -0.001 0.000 0.280 74 Y C 2.344 178.171 175.900 -0.121 0.000 1.163 74 Y CA 2.456 60.498 58.100 -0.096 0.000 1.135 74 Y CB -0.586 37.860 38.460 -0.024 0.000 0.970 74 Y HN 0.397 nan 8.280 nan 0.000 0.498 75 N N -0.000 118.719 118.700 0.032 0.000 2.104 75 N HA -0.225 4.514 4.740 -0.001 0.000 0.190 75 N C 1.720 177.096 175.510 -0.223 0.000 1.024 75 N CA 1.627 54.638 53.050 -0.064 0.000 0.853 75 N CB -0.351 38.135 38.487 -0.003 0.000 1.008 75 N HN 0.354 nan 8.380 nan 0.000 0.424 76 L N 0.655 121.688 121.223 -0.316 0.000 2.217 76 L HA -0.131 4.209 4.340 -0.001 0.000 0.211 76 L C 2.104 178.824 176.870 -0.250 0.000 1.107 76 L CA 1.012 55.665 54.840 -0.311 0.000 0.783 76 L CB -0.302 41.482 42.059 -0.459 0.000 0.919 76 L HN 0.252 nan 8.230 nan 0.000 0.442 77 Q N -0.390 119.219 119.800 -0.318 0.000 2.311 77 Q HA -0.103 4.236 4.340 -0.001 0.000 0.203 77 Q C 0.948 176.781 176.000 -0.280 0.000 0.954 77 Q CA 0.230 55.860 55.803 -0.288 0.000 0.885 77 Q CB 0.142 28.688 28.738 -0.321 0.000 0.963 77 Q HN 0.433 nan 8.270 nan 0.000 0.471 78 Q N 1.796 121.383 119.800 -0.356 0.000 2.300 78 Q HA -0.038 4.301 4.340 -0.001 0.000 0.280 78 Q C -0.858 175.029 176.000 -0.188 0.000 1.033 78 Q CA 0.058 55.681 55.803 -0.300 0.000 0.903 78 Q CB 0.590 29.152 28.738 -0.293 0.000 1.195 78 Q HN 0.137 nan 8.270 nan 0.000 0.386 79 E N 2.577 122.692 120.200 -0.142 0.000 2.413 79 E HA -0.080 4.269 4.350 -0.001 0.000 0.263 79 E C -0.748 175.782 176.600 -0.116 0.000 1.015 79 E CA 0.033 56.362 56.400 -0.118 0.000 0.916 79 E CB 0.493 30.146 29.700 -0.077 0.000 0.947 79 E HN 0.440 nan 8.360 nan 0.000 0.440 80 D N 2.806 123.121 120.400 -0.141 0.000 2.393 80 D HA -0.018 4.621 4.640 -0.001 0.000 0.232 80 D C -0.195 176.058 176.300 -0.078 0.000 1.192 80 D CA -0.325 53.600 54.000 -0.126 0.000 0.882 80 D CB 0.416 41.112 40.800 -0.173 0.000 1.038 80 D HN 0.354 nan 8.370 nan 0.000 0.499 81 D N 2.256 122.629 120.400 -0.046 0.000 2.342 81 D HA 0.159 4.799 4.640 -0.001 0.000 0.221 81 D C 1.417 177.713 176.300 -0.008 0.000 1.101 81 D CA 0.180 54.169 54.000 -0.017 0.000 0.837 81 D CB 0.031 40.837 40.800 0.010 0.000 0.938 81 D HN 0.532 nan 8.370 nan 0.000 0.508 82 G N 0.648 109.438 108.800 -0.018 0.000 2.225 82 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.254 82 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.254 82 G C 1.093 176.001 174.900 0.013 0.000 0.988 82 G CA 0.476 45.573 45.100 -0.004 0.000 0.625 82 G HN 0.468 nan 8.290 nan 0.000 0.527 83 K N 0.256 120.670 120.400 0.025 0.000 2.474 83 K HA 0.176 4.495 4.320 -0.001 0.000 0.204 83 K C 1.301 177.907 176.600 0.011 0.000 1.220 83 K CA 0.644 56.974 56.287 0.072 0.000 0.966 83 K CB 0.606 33.183 32.500 0.128 0.000 1.049 83 K HN 0.518 nan 8.250 nan 0.000 0.554 84 T N 1.109 115.598 114.554 -0.107 0.000 2.855 84 T HA 0.017 4.366 4.350 -0.001 0.000 0.322 84 T C -1.585 172.858 174.700 -0.428 0.000 1.088 84 T CA -1.102 60.730 62.100 -0.446 0.000 1.104 84 T CB 0.455 69.162 68.868 -0.269 0.000 0.996 84 T HN -0.074 nan 8.240 nan 0.000 0.549 85 P HA 0.029 nan 4.420 nan 0.000 0.226 85 P C 0.035 177.253 177.300 -0.138 0.000 1.153 85 P CA 0.355 63.281 63.100 -0.290 0.000 0.777 85 P CB 0.092 31.630 31.700 -0.270 0.000 0.794 86 V N 1.529 121.352 119.914 -0.151 0.000 2.313 86 V HA 0.231 4.351 4.120 -0.001 0.000 0.278 86 V C 0.299 176.359 176.094 -0.057 0.000 1.017 86 V CA -0.812 61.440 62.300 -0.080 0.000 0.823 86 V CB 1.174 32.931 31.823 -0.109 0.000 1.010 86 V HN 0.014 nan 8.190 nan 0.000 0.443 87 E N 5.783 125.995 120.200 0.019 0.000 2.200 87 E HA 0.413 4.762 4.350 -0.001 0.000 0.283 87 E C -0.226 176.440 176.600 0.110 0.000 1.015 87 E CA -0.703 55.724 56.400 0.045 0.000 0.819 87 E CB 0.862 30.613 29.700 0.085 0.000 1.081 87 E HN 0.571 nan 8.360 nan 0.000 0.397 88 R N 3.599 124.092 120.500 -0.012 0.000 2.459 88 R HA 0.446 4.785 4.340 -0.001 0.000 0.281 88 R C -0.561 175.841 176.300 0.169 0.000 1.050 88 R CA -0.387 55.668 56.100 -0.075 0.000 1.055 88 R CB 0.681 30.548 30.300 -0.722 0.000 1.045 88 R HN 0.483 nan 8.270 nan 0.000 0.495 89 F N -1.899 118.154 119.950 0.171 0.000 2.713 89 F HA 0.616 5.143 4.527 -0.001 0.000 0.311 89 F C -1.693 174.275 175.800 0.279 0.000 1.141 89 F CA -1.248 56.845 58.000 0.155 0.000 0.939 89 F CB 1.153 40.203 39.000 0.084 0.000 1.325 89 F HN 0.105 nan 8.300 nan 0.000 0.453 90 V N 2.277 122.417 119.914 0.377 0.000 2.577 90 V HA 0.556 4.676 4.120 -0.001 0.000 0.303 90 V C -0.100 176.174 176.094 0.299 0.000 1.042 90 V CA -0.476 61.974 62.300 0.249 0.000 0.872 90 V CB 1.403 33.357 31.823 0.218 0.000 0.998 90 V HN 1.119 nan 8.190 nan 0.000 0.423 91 S N 2.736 118.609 115.700 0.289 0.000 2.600 91 S HA 0.211 4.680 4.470 -0.001 0.000 0.265 91 S C 0.815 175.488 174.600 0.122 0.000 1.325 91 S CA -0.227 58.100 58.200 0.212 0.000 1.002 91 S CB 0.743 64.113 63.200 0.284 0.000 0.921 91 S HN 0.753 nan 8.310 nan 0.000 0.554 92 E N 0.602 120.816 120.200 0.023 0.000 2.333 92 E HA -0.147 4.203 4.350 -0.001 0.000 0.198 92 E C 0.801 177.437 176.600 0.060 0.000 1.007 92 E CA 1.358 57.770 56.400 0.021 0.000 0.845 92 E CB -0.322 29.355 29.700 -0.038 0.000 0.766 92 E HN 0.767 nan 8.360 nan 0.000 0.507 93 D N -0.567 119.901 120.400 0.113 0.000 2.312 93 D HA -0.001 4.638 4.640 -0.001 0.000 0.211 93 D C 1.131 177.529 176.300 0.164 0.000 0.964 93 D CA 0.900 55.007 54.000 0.179 0.000 0.877 93 D CB 0.236 41.260 40.800 0.372 0.000 0.924 93 D HN 0.274 nan 8.370 nan 0.000 0.515 94 G N 0.042 108.932 108.800 0.149 0.000 2.131 94 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.223 94 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.223 94 G C -0.115 174.845 174.900 0.101 0.000 0.990 94 G CA -0.556 44.612 45.100 0.113 0.000 0.671 94 G HN 0.186 nan 8.290 nan 0.000 0.521 95 I N 1.738 122.394 120.570 0.144 0.000 2.321 95 I HA 0.328 4.497 4.170 -0.001 0.000 0.291 95 I C -0.026 176.111 176.117 0.033 0.000 0.998 95 I CA -1.291 60.053 61.300 0.073 0.000 1.227 95 I CB 1.008 39.055 38.000 0.079 0.000 1.368 95 I HN -0.042 nan 8.210 nan 0.000 0.466 96 D N 5.572 125.914 120.400 -0.097 0.000 2.423 96 D HA 0.188 4.828 4.640 -0.001 0.000 0.238 96 D C 0.205 176.359 176.300 -0.244 0.000 1.142 96 D CA 0.658 54.501 54.000 -0.261 0.000 0.884 96 D CB 0.936 41.284 40.800 -0.754 0.000 1.199 96 D HN 0.428 nan 8.370 nan 0.000 0.438 97 N N -0.489 118.030 118.700 -0.301 0.000 3.020 97 N HA 0.536 5.275 4.740 -0.001 0.000 0.248 97 N C -1.715 173.580 175.510 -0.359 0.000 1.480 97 N CA -0.526 52.288 53.050 -0.393 0.000 0.874 97 N CB 1.822 39.767 38.487 -0.903 0.000 1.433 97 N HN 0.146 nan 8.380 nan 0.000 0.530 98 V N -1.502 118.359 119.914 -0.088 0.000 3.147 98 V HA 0.878 4.998 4.120 -0.001 0.000 0.306 98 V C -1.177 175.219 176.094 0.502 0.000 1.209 98 V CA -0.924 61.487 62.300 0.185 0.000 1.023 98 V CB 2.222 34.089 31.823 0.072 0.000 1.059 98 V HN 0.929 nan 8.190 nan 0.000 0.435 99 R N 1.144 121.921 120.500 0.461 0.000 2.707 99 R HA 0.824 5.164 4.340 -0.001 0.000 0.272 99 R C -0.030 176.406 176.300 0.226 0.000 1.011 99 R CA -0.302 56.062 56.100 0.440 0.000 0.893 99 R CB 1.720 32.296 30.300 0.460 0.000 1.233 99 R HN 1.397 nan 8.270 nan 0.000 0.464 100 G N 0.869 109.779 108.800 0.182 0.000 2.527 100 G HA2 0.325 4.284 3.960 -0.001 0.000 0.248 100 G HA3 0.325 4.284 3.960 -0.001 0.000 0.248 100 G C -0.632 174.316 174.900 0.080 0.000 1.231 100 G CA -0.747 44.416 45.100 0.104 0.000 0.838 100 G HN 0.599 nan 8.290 nan 0.000 0.570 101 R N 0.606 121.129 120.500 0.039 0.000 2.754 101 R HA 0.466 4.805 4.340 -0.001 0.000 0.255 101 R C -1.506 174.806 176.300 0.020 0.000 1.723 101 R CA -0.303 55.816 56.100 0.030 0.000 1.596 101 R CB 1.026 31.336 30.300 0.016 0.000 1.424 101 R HN 0.592 nan 8.270 nan 0.000 0.662 102 V N 2.468 122.406 119.914 0.040 0.000 3.234 102 V HA 0.312 4.431 4.120 -0.001 0.000 0.280 102 V C -1.724 174.405 176.094 0.058 0.000 1.580 102 V CA -1.059 61.274 62.300 0.055 0.000 1.032 102 V CB 1.971 33.828 31.823 0.057 0.000 1.203 102 V HN 0.458 nan 8.190 nan 0.000 0.459 103 L N 5.226 126.488 121.223 0.066 0.000 2.513 103 L HA 0.662 5.001 4.340 -0.001 0.000 0.272 103 L C 1.188 178.101 176.870 0.070 0.000 1.187 103 L CA 2.289 57.160 54.840 0.053 0.000 0.895 103 L CB 0.615 42.715 42.059 0.068 0.000 1.147 103 L HN 1.541 nan 8.230 nan 0.000 0.483 104 G N 2.063 110.887 108.800 0.040 0.000 2.231 104 G HA2 0.045 4.004 3.960 -0.001 0.000 0.206 104 G HA3 0.045 4.004 3.960 -0.001 0.000 0.206 104 G C 1.009 175.947 174.900 0.064 0.000 0.996 104 G CA 0.128 45.261 45.100 0.055 0.000 0.645 104 G HN 1.798 nan 8.290 nan 0.000 0.498 105 G N -0.680 108.156 108.800 0.061 0.000 2.575 105 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.267 105 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.267 105 G C 0.948 175.899 174.900 0.086 0.000 1.264 105 G CA 1.171 46.313 45.100 0.070 0.000 0.935 105 G HN 1.329 nan 8.290 nan 0.000 0.568 106 T N 1.117 115.733 114.554 0.103 0.000 3.072 106 T HA 0.064 4.413 4.350 -0.001 0.000 0.266 106 T C 2.665 177.430 174.700 0.108 0.000 1.127 106 T CA 2.174 64.343 62.100 0.115 0.000 1.107 106 T CB -0.378 68.577 68.868 0.146 0.000 0.910 106 T HN 1.450 nan 8.240 nan 0.000 0.513 107 S N 1.058 116.818 115.700 0.100 0.000 2.515 107 S HA 0.048 4.517 4.470 -0.001 0.000 0.231 107 S C 1.793 176.432 174.600 0.066 0.000 0.987 107 S CA 0.202 58.453 58.200 0.085 0.000 0.936 107 S CB -0.410 62.844 63.200 0.090 0.000 0.766 107 S HN 0.339 nan 8.310 nan 0.000 0.528 108 I N 1.793 122.413 120.570 0.083 0.000 3.419 108 I HA 0.209 4.379 4.170 -0.001 0.000 0.286 108 I C 1.679 177.861 176.117 0.108 0.000 1.268 108 I CA 0.691 62.045 61.300 0.090 0.000 1.414 108 I CB -0.390 37.668 38.000 0.096 0.000 1.074 108 I HN 0.570 nan 8.210 nan 0.000 0.457 109 I N -1.772 118.867 120.570 0.114 0.000 4.225 109 I HA 0.216 4.386 4.170 -0.001 0.000 0.327 109 I C 0.464 176.724 176.117 0.239 0.000 1.422 109 I CA -0.549 60.842 61.300 0.152 0.000 1.150 109 I CB -0.124 37.917 38.000 0.068 0.000 1.192 109 I HN -0.000 nan 8.210 nan 0.000 0.440 110 N N 2.417 121.225 118.700 0.181 0.000 2.366 110 N HA 0.299 5.039 4.740 -0.001 0.000 0.277 110 N C 0.946 176.488 175.510 0.054 0.000 1.275 110 N CA 0.098 53.256 53.050 0.180 0.000 0.964 110 N CB 0.520 39.084 38.487 0.129 0.000 1.167 110 N HN 0.069 nan 8.380 nan 0.000 0.568 111 A N -2.154 120.607 122.820 -0.097 0.000 2.259 111 A HA 0.378 4.697 4.320 -0.001 0.000 0.208 111 A C 1.521 179.109 177.584 0.006 0.000 1.201 111 A CA 0.457 52.282 52.037 -0.353 0.000 0.824 111 A CB -1.553 17.288 19.000 -0.265 0.000 0.838 111 A HN 1.365 nan 8.150 nan 0.000 0.485 112 G N -1.222 107.501 108.800 -0.127 0.000 2.196 112 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.268 112 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.268 112 G C 0.375 175.269 174.900 -0.011 0.000 0.975 112 G CA 0.402 45.342 45.100 -0.267 0.000 0.648 112 G HN 0.871 nan 8.290 nan 0.000 0.538 113 V N 0.595 120.522 119.914 0.023 0.000 2.540 113 V HA 0.370 4.489 4.120 -0.001 0.000 0.297 113 V C 0.211 176.310 176.094 0.009 0.000 1.024 113 V CA 0.146 62.408 62.300 -0.063 0.000 1.105 113 V CB 0.730 32.263 31.823 -0.483 0.000 0.938 113 V HN 0.351 nan 8.190 nan 0.000 0.482 114 Y N 4.266 124.523 120.300 -0.071 0.000 2.341 114 Y HA 0.713 5.262 4.550 -0.001 0.000 0.338 114 Y C -0.024 175.823 175.900 -0.089 0.000 0.965 114 Y CA -0.385 57.683 58.100 -0.054 0.000 1.108 114 Y CB 1.429 39.873 38.460 -0.026 0.000 1.180 114 Y HN 0.781 nan 8.280 nan 0.000 0.458 115 A N 6.456 128.868 122.820 -0.680 0.000 2.549 115 A HA 0.704 5.024 4.320 -0.001 0.000 0.297 115 A C -1.267 175.877 177.584 -0.733 0.000 1.061 115 A CA -1.088 50.639 52.037 -0.517 0.000 0.690 115 A CB 1.515 20.358 19.000 -0.262 0.000 1.287 115 A HN 0.851 nan 8.150 nan 0.000 0.402 116 R N 0.558 120.709 120.500 -0.583 0.000 2.528 116 R HA 0.592 4.932 4.340 -0.001 0.000 0.271 116 R C 0.491 176.542 176.300 -0.416 0.000 1.056 116 R CA -0.003 55.686 56.100 -0.685 0.000 1.117 116 R CB 1.305 31.119 30.300 -0.809 0.000 1.085 116 R HN 0.909 nan 8.270 nan 0.000 0.530 117 A N 2.050 124.715 122.820 -0.259 0.000 2.425 117 A HA -0.017 4.303 4.320 -0.001 0.000 0.242 117 A C 0.238 177.629 177.584 -0.321 0.000 1.077 117 A CA -0.382 51.452 52.037 -0.339 0.000 0.781 117 A CB 0.132 18.899 19.000 -0.388 0.000 1.020 117 A HN 0.744 nan 8.150 nan 0.000 0.494 118 N N 1.155 119.587 118.700 -0.448 0.000 2.365 118 N HA -0.070 4.669 4.740 -0.001 0.000 0.265 118 N C 1.467 176.826 175.510 -0.250 0.000 1.288 118 N CA 0.990 53.868 53.050 -0.286 0.000 0.869 118 N CB 0.575 38.852 38.487 -0.350 0.000 1.071 118 N HN 0.720 nan 8.380 nan 0.000 0.480 119 T N 0.166 114.672 114.554 -0.080 0.000 3.025 119 T HA -0.064 4.285 4.350 -0.001 0.000 0.270 119 T C 1.358 176.088 174.700 0.049 0.000 1.126 119 T CA 0.989 63.133 62.100 0.074 0.000 1.105 119 T CB -0.079 68.809 68.868 0.034 0.000 0.884 119 T HN 0.350 nan 8.240 nan 0.000 0.522 120 S N 1.092 116.745 115.700 -0.077 0.000 2.548 120 S HA 0.292 4.762 4.470 -0.001 0.000 0.215 120 S C 1.786 176.300 174.600 -0.143 0.000 0.976 120 S CA 0.198 58.353 58.200 -0.075 0.000 0.908 120 S CB -0.389 62.765 63.200 -0.076 0.000 0.781 120 S HN 0.821 nan 8.310 nan 0.000 0.519 121 I N -2.243 118.133 120.570 -0.322 0.000 2.876 121 I HA 0.023 4.193 4.170 -0.001 0.000 0.264 121 I C 1.605 177.459 176.117 -0.438 0.000 1.204 121 I CA 0.833 61.875 61.300 -0.430 0.000 1.485 121 I CB -0.505 37.108 38.000 -0.645 0.000 1.103 121 I HN 0.085 nan 8.210 nan 0.000 0.446 122 Y N 1.442 121.542 120.300 -0.334 0.000 2.224 122 Y HA -0.191 4.359 4.550 -0.001 0.000 0.289 122 Y C 3.134 179.050 175.900 0.026 0.000 1.146 122 Y CA 1.649 59.548 58.100 -0.335 0.000 1.182 122 Y CB -0.883 37.274 38.460 -0.505 0.000 0.983 122 Y HN 0.207 nan 8.280 nan 0.000 0.524 123 S N 0.204 115.997 115.700 0.154 0.000 2.404 123 S HA -0.288 4.182 4.470 -0.001 0.000 0.230 123 S C 1.673 176.351 174.600 0.129 0.000 1.046 123 S CA 1.643 59.925 58.200 0.137 0.000 1.135 123 S CB -0.705 62.536 63.200 0.068 0.000 1.056 123 S HN 0.423 nan 8.310 nan 0.000 0.426 124 A N 0.383 123.250 122.820 0.078 0.000 3.159 124 A HA 0.481 4.801 4.320 -0.001 0.000 0.301 124 A C 1.223 178.856 177.584 0.083 0.000 1.271 124 A CA 0.397 52.477 52.037 0.072 0.000 0.998 124 A CB -0.098 18.927 19.000 0.041 0.000 1.101 124 A HN 0.532 nan 8.150 nan 0.000 0.610 125 S N -1.618 114.168 115.700 0.145 0.000 2.524 125 S HA 0.382 4.852 4.470 -0.001 0.000 0.216 125 S C 1.427 176.173 174.600 0.243 0.000 0.987 125 S CA 0.856 59.170 58.200 0.191 0.000 0.909 125 S CB 0.017 63.356 63.200 0.231 0.000 0.781 125 S HN 1.846 nan 8.310 nan 0.000 0.521 126 G N 0.054 108.939 108.800 0.143 0.000 2.176 126 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.232 126 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.232 126 G C -0.073 174.813 174.900 -0.023 0.000 0.986 126 G CA -0.043 45.086 45.100 0.048 0.000 0.643 126 G HN 0.713 nan 8.290 nan 0.000 0.522 127 V N 0.950 120.864 119.914 -0.001 0.000 2.604 127 V HA 0.568 4.688 4.120 -0.001 0.000 0.305 127 V C -0.591 175.352 176.094 -0.252 0.000 1.043 127 V CA -0.660 61.475 62.300 -0.275 0.000 0.888 127 V CB 1.951 33.383 31.823 -0.653 0.000 0.995 127 V HN 0.253 nan 8.190 nan 0.000 0.429 128 D N 4.065 124.349 120.400 -0.195 0.000 2.453 128 D HA 0.171 4.810 4.640 -0.001 0.000 0.223 128 D C -0.480 175.804 176.300 -0.027 0.000 1.183 128 D CA -0.285 53.692 54.000 -0.040 0.000 0.933 128 D CB 0.178 40.973 40.800 -0.008 0.000 1.038 128 D HN 0.379 nan 8.370 nan 0.000 0.513 129 W N 2.237 123.608 121.300 0.119 0.000 2.216 129 W HA 0.146 4.806 4.660 -0.001 0.000 0.326 129 W C 0.946 177.519 176.519 0.090 0.000 1.319 129 W CA -0.654 56.751 57.345 0.100 0.000 1.213 129 W CB 0.576 30.017 29.460 -0.032 0.000 1.171 129 W HN 0.259 nan 8.180 nan 0.000 0.557 130 D N 4.324 124.989 120.400 0.442 0.000 2.456 130 D HA 0.049 4.688 4.640 -0.001 0.000 0.219 130 D C 0.995 177.432 176.300 0.228 0.000 1.126 130 D CA -0.121 54.039 54.000 0.267 0.000 0.890 130 D CB 0.743 41.671 40.800 0.215 0.000 1.025 130 D HN 0.207 nan 8.370 nan 0.000 0.511 131 M N 1.830 121.482 119.600 0.088 0.000 2.279 131 M HA -0.115 4.365 4.480 -0.001 0.000 0.264 131 M C 1.081 177.381 176.300 -0.001 0.000 1.062 131 M CA 0.935 56.211 55.300 -0.039 0.000 1.099 131 M CB -0.460 32.082 32.600 -0.097 0.000 1.394 131 M HN 0.359 nan 8.290 nan 0.000 0.426 132 D N 0.198 120.618 120.400 0.032 0.000 2.117 132 D HA -0.116 4.523 4.640 -0.001 0.000 0.198 132 D C 2.081 178.405 176.300 0.040 0.000 0.982 132 D CA 0.922 54.938 54.000 0.027 0.000 0.828 132 D CB -0.189 40.624 40.800 0.021 0.000 0.967 132 D HN 0.252 nan 8.370 nan 0.000 0.464 133 L N 0.853 122.117 121.223 0.070 0.000 2.056 133 L HA -0.104 4.235 4.340 -0.001 0.000 0.207 133 L C 2.241 179.184 176.870 0.120 0.000 1.078 133 L CA 1.185 56.067 54.840 0.069 0.000 0.749 133 L CB -0.505 41.580 42.059 0.044 0.000 0.901 133 L HN -0.172 nan 8.230 nan 0.000 0.433 134 V N 0.521 120.529 119.914 0.156 0.000 2.255 134 V HA -0.329 3.791 4.120 -0.001 0.000 0.247 134 V C 2.405 178.451 176.094 -0.080 0.000 1.051 134 V CA 2.120 64.402 62.300 -0.031 0.000 1.018 134 V CB -0.903 30.772 31.823 -0.247 0.000 0.641 134 V HN 0.520 nan 8.190 nan 0.000 0.445 135 N N -0.135 118.593 118.700 0.046 0.000 2.188 135 N HA -0.157 4.582 4.740 -0.001 0.000 0.184 135 N C 1.905 177.498 175.510 0.137 0.000 1.018 135 N CA 1.215 54.362 53.050 0.162 0.000 0.858 135 N CB -0.360 38.190 38.487 0.105 0.000 0.989 135 N HN 0.599 nan 8.380 nan 0.000 0.426 136 Q N -0.378 119.468 119.800 0.076 0.000 2.124 136 Q HA -0.044 4.295 4.340 -0.001 0.000 0.202 136 Q C 1.587 177.646 176.000 0.097 0.000 0.977 136 Q CA 1.485 57.332 55.803 0.074 0.000 0.850 136 Q CB -0.156 28.599 28.738 0.028 0.000 0.901 136 Q HN 0.363 nan 8.270 nan 0.000 0.429 137 T N -0.064 114.512 114.554 0.037 0.000 2.857 137 T HA -0.118 4.231 4.350 -0.001 0.000 0.266 137 T C 1.413 176.205 174.700 0.152 0.000 1.048 137 T CA 0.943 63.052 62.100 0.016 0.000 1.139 137 T CB -0.352 68.455 68.868 -0.102 0.000 0.874 137 T HN 0.340 nan 8.240 nan 0.000 0.455 138 Y N 1.675 122.055 120.300 0.133 0.000 2.165 138 Y HA -0.161 4.389 4.550 -0.001 0.000 0.286 138 Y C 2.667 178.649 175.900 0.138 0.000 1.155 138 Y CA 1.010 59.201 58.100 0.151 0.000 1.164 138 Y CB -0.137 38.391 38.460 0.114 0.000 0.978 138 Y HN 0.318 nan 8.280 nan 0.000 0.513 139 E N -1.049 119.319 120.200 0.280 0.000 2.077 139 E HA -0.286 4.064 4.350 -0.001 0.000 0.193 139 E C 1.778 178.475 176.600 0.162 0.000 0.989 139 E CA 1.355 57.853 56.400 0.164 0.000 0.800 139 E CB -0.458 29.320 29.700 0.129 0.000 0.746 139 E HN 0.583 nan 8.360 nan 0.000 0.452 140 W N 1.067 122.374 121.300 0.011 0.000 2.338 140 W HA -0.234 4.425 4.660 -0.001 0.000 0.304 140 W C 2.005 178.504 176.519 -0.033 0.000 1.212 140 W CA 1.403 58.738 57.345 -0.017 0.000 1.264 140 W CB -0.197 29.253 29.460 -0.016 0.000 1.142 140 W HN -0.177 nan 8.180 nan 0.000 0.512 141 V N 0.693 120.783 119.914 0.293 0.000 2.323 141 V HA -0.273 3.846 4.120 -0.001 0.000 0.244 141 V C 2.043 178.055 176.094 -0.136 0.000 1.041 141 V CA 2.379 64.735 62.300 0.093 0.000 1.025 141 V CB -0.979 31.007 31.823 0.270 0.000 0.656 141 V HN 0.149 nan 8.190 nan 0.000 0.451 142 E N 0.102 120.231 120.200 -0.117 0.000 2.118 142 E HA -0.235 4.114 4.350 -0.001 0.000 0.195 142 E C 1.759 178.160 176.600 -0.331 0.000 0.992 142 E CA 1.436 57.653 56.400 -0.304 0.000 0.804 142 E CB -0.184 29.389 29.700 -0.211 0.000 0.741 142 E HN 0.561 nan 8.360 nan 0.000 0.458 143 D N -0.523 119.731 120.400 -0.244 0.000 2.371 143 D HA -0.045 4.594 4.640 -0.001 0.000 0.221 143 D C 1.277 177.372 176.300 -0.341 0.000 0.986 143 D CA 0.866 54.709 54.000 -0.262 0.000 0.899 143 D CB 0.164 40.855 40.800 -0.181 0.000 0.902 143 D HN 0.144 nan 8.370 nan 0.000 0.530 144 T N -0.132 114.185 114.554 -0.393 0.000 3.056 144 T HA 0.145 4.495 4.350 -0.001 0.000 0.241 144 T C 1.732 176.191 174.700 -0.401 0.000 1.006 144 T CA 0.053 61.913 62.100 -0.399 0.000 1.115 144 T CB 0.665 69.253 68.868 -0.468 0.000 0.939 144 T HN 0.264 nan 8.240 nan 0.000 0.462 145 I N -1.308 119.013 120.570 -0.415 0.000 4.219 145 I HA 0.510 4.679 4.170 -0.001 0.000 0.329 145 I C -0.848 175.011 176.117 -0.430 0.000 1.427 145 I CA -0.518 60.588 61.300 -0.322 0.000 1.151 145 I CB 0.774 38.725 38.000 -0.082 0.000 1.369 145 I HN -0.182 nan 8.210 nan 0.000 0.521 146 V N 1.652 121.105 119.914 -0.769 0.000 2.513 146 V HA 0.531 4.651 4.120 -0.001 0.000 0.299 146 V C -0.952 174.626 176.094 -0.861 0.000 1.035 146 V CA -0.358 61.539 62.300 -0.671 0.000 0.889 146 V CB 1.485 32.817 31.823 -0.818 0.000 0.988 146 V HN 0.169 nan 8.190 nan 0.000 0.440 147 Y N 1.548 121.790 120.300 -0.097 0.000 2.536 147 Y HA 0.514 5.063 4.550 -0.001 0.000 0.347 147 Y C 0.095 176.002 175.900 0.012 0.000 1.000 147 Y CA -1.269 56.803 58.100 -0.047 0.000 1.051 147 Y CB 1.649 40.089 38.460 -0.033 0.000 1.259 147 Y HN 0.470 nan 8.280 nan 0.000 0.468 148 K N 5.080 125.518 120.400 0.063 0.000 2.316 148 K HA 0.289 4.609 4.320 -0.001 0.000 0.289 148 K C -2.531 174.019 176.600 -0.083 0.000 1.070 148 K CA -1.761 54.401 56.287 -0.209 0.000 0.928 148 K CB 0.438 32.618 32.500 -0.534 0.000 1.039 148 K HN 0.380 nan 8.250 nan 0.000 0.480 149 P HA -0.003 nan 4.420 nan 0.000 0.272 149 P C -0.946 176.342 177.300 -0.020 0.000 1.240 149 P CA -0.105 63.016 63.100 0.035 0.000 0.791 149 P CB 0.660 32.422 31.700 0.103 0.000 0.978 150 N N -0.702 118.002 118.700 0.007 0.000 2.424 150 N HA 0.177 4.916 4.740 -0.001 0.000 0.257 150 N C 0.295 175.810 175.510 0.008 0.000 1.250 150 N CA -0.497 52.550 53.050 -0.004 0.000 0.946 150 N CB 0.347 38.836 38.487 0.003 0.000 1.175 150 N HN 0.447 nan 8.380 nan 0.000 0.477 151 S N 0.361 116.064 115.700 0.005 0.000 2.580 151 S HA 0.178 4.647 4.470 -0.001 0.000 0.274 151 S C -0.576 174.043 174.600 0.032 0.000 1.329 151 S CA -0.568 57.644 58.200 0.020 0.000 1.036 151 S CB 0.845 64.054 63.200 0.015 0.000 0.919 151 S HN 0.478 nan 8.310 nan 0.000 0.515 152 Q N 1.346 121.173 119.800 0.046 0.000 2.285 152 Q HA 0.369 4.708 4.340 -0.001 0.000 0.269 152 Q C 0.545 176.588 176.000 0.071 0.000 1.030 152 Q CA -0.649 55.189 55.803 0.059 0.000 0.788 152 Q CB 1.935 30.715 28.738 0.071 0.000 1.266 152 Q HN 0.762 nan 8.270 nan 0.000 0.438 153 S N 2.696 118.449 115.700 0.088 0.000 2.368 153 S HA -0.192 4.278 4.470 -0.001 0.000 0.226 153 S C 1.132 175.808 174.600 0.128 0.000 1.044 153 S CA 1.648 59.913 58.200 0.109 0.000 1.062 153 S CB -0.053 63.229 63.200 0.137 0.000 0.931 153 S HN 0.854 nan 8.310 nan 0.000 0.440 154 W N 1.300 122.587 121.300 -0.022 0.000 2.363 154 W HA -0.102 4.557 4.660 -0.001 0.000 0.296 154 W C 2.085 178.579 176.519 -0.042 0.000 1.212 154 W CA 1.195 58.499 57.345 -0.067 0.000 1.260 154 W CB -0.302 29.079 29.460 -0.132 0.000 1.131 154 W HN 0.419 nan 8.180 nan 0.000 0.530 155 Q N 0.133 119.911 119.800 -0.038 0.000 2.119 155 Q HA -0.128 4.212 4.340 -0.001 0.000 0.201 155 Q C 2.229 178.165 176.000 -0.106 0.000 0.972 155 Q CA 1.691 57.449 55.803 -0.075 0.000 0.847 155 Q CB -0.835 27.938 28.738 0.057 0.000 0.903 155 Q HN 0.199 nan 8.270 nan 0.000 0.433 156 S N 0.302 115.962 115.700 -0.068 0.000 2.383 156 S HA -0.074 4.395 4.470 -0.001 0.000 0.227 156 S C 2.170 176.704 174.600 -0.109 0.000 1.026 156 S CA 0.874 59.048 58.200 -0.042 0.000 0.981 156 S CB -0.108 63.093 63.200 0.002 0.000 0.818 156 S HN 0.131 nan 8.310 nan 0.000 0.472 157 V N 1.765 121.538 119.914 -0.236 0.000 2.343 157 V HA -0.178 3.942 4.120 -0.001 0.000 0.247 157 V C 2.506 178.360 176.094 -0.400 0.000 1.051 157 V CA 2.059 64.165 62.300 -0.324 0.000 1.036 157 V CB -1.282 30.205 31.823 -0.560 0.000 0.654 157 V HN 0.499 nan 8.190 nan 0.000 0.451 158 T N -0.374 113.837 114.554 -0.572 0.000 2.746 158 T HA -0.260 4.090 4.350 -0.001 0.000 0.267 158 T C 1.942 176.575 174.700 -0.111 0.000 1.039 158 T CA 1.915 63.771 62.100 -0.407 0.000 1.142 158 T CB -0.221 68.418 68.868 -0.381 0.000 0.866 158 T HN 0.495 nan 8.240 nan 0.000 0.444 159 K N 0.838 121.247 120.400 0.015 0.000 2.063 159 K HA -0.166 4.153 4.320 -0.001 0.000 0.208 159 K C 2.495 179.170 176.600 0.124 0.000 1.048 159 K CA 1.863 58.246 56.287 0.160 0.000 0.928 159 K CB -0.343 32.221 32.500 0.106 0.000 0.713 159 K HN 0.509 nan 8.250 nan 0.000 0.442 160 T N -1.723 112.851 114.554 0.034 0.000 2.821 160 T HA -0.018 4.331 4.350 -0.001 0.000 0.267 160 T C 1.993 176.720 174.700 0.044 0.000 1.046 160 T CA 0.975 63.100 62.100 0.042 0.000 1.139 160 T CB -0.350 68.530 68.868 0.020 0.000 0.871 160 T HN 0.267 nan 8.240 nan 0.000 0.454 161 A N 0.753 123.557 122.820 -0.025 0.000 1.873 161 A HA 0.178 4.498 4.320 -0.001 0.000 0.215 161 A C 2.101 179.680 177.584 -0.009 0.000 1.186 161 A CA 1.051 53.050 52.037 -0.064 0.000 0.616 161 A CB -1.164 17.727 19.000 -0.181 0.000 0.823 161 A HN 0.542 nan 8.150 nan 0.000 0.442 162 F N 0.050 120.038 119.950 0.063 0.000 2.102 162 F HA -0.170 4.357 4.527 -0.001 0.000 0.298 162 F C 2.176 178.020 175.800 0.073 0.000 1.105 162 F CA 1.185 59.228 58.000 0.072 0.000 1.239 162 F CB -0.220 38.832 39.000 0.087 0.000 0.991 162 F HN 0.116 nan 8.300 nan 0.000 0.474 163 L N -0.379 121.027 121.223 0.306 0.000 2.093 163 L HA -0.206 4.133 4.340 -0.001 0.000 0.208 163 L C 2.345 179.395 176.870 0.301 0.000 1.085 163 L CA 1.335 56.363 54.840 0.314 0.000 0.755 163 L CB -0.591 41.592 42.059 0.207 0.000 0.904 163 L HN 0.182 nan 8.230 nan 0.000 0.435 164 E N 0.420 120.722 120.200 0.171 0.000 2.150 164 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 164 E C 1.854 178.505 176.600 0.085 0.000 0.985 164 E CA 0.862 57.335 56.400 0.121 0.000 0.814 164 E CB 0.077 29.822 29.700 0.074 0.000 0.752 164 E HN 0.444 nan 8.360 nan 0.000 0.466 165 A N -0.086 122.776 122.820 0.071 0.000 2.276 165 A HA 0.264 4.584 4.320 -0.001 0.000 0.212 165 A C 1.401 178.956 177.584 -0.049 0.000 1.230 165 A CA 0.758 52.813 52.037 0.031 0.000 0.844 165 A CB -0.485 18.550 19.000 0.059 0.000 0.860 165 A HN 0.382 nan 8.150 nan 0.000 0.486 166 G N -1.520 107.154 108.800 -0.211 0.000 2.143 166 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.248 166 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.248 166 G C 0.200 174.685 174.900 -0.690 0.000 0.991 166 G CA 0.213 44.910 45.100 -0.672 0.000 0.689 166 G HN 0.824 nan 8.290 nan 0.000 0.522 167 V N 2.110 121.837 119.914 -0.311 0.000 2.223 167 V HA 0.334 4.454 4.120 -0.001 0.000 0.249 167 V C 0.719 176.804 176.094 -0.015 0.000 1.233 167 V CA -0.082 62.151 62.300 -0.111 0.000 1.131 167 V CB -0.639 31.199 31.823 0.025 0.000 1.298 167 V HN 0.511 nan 8.190 nan 0.000 0.498 168 H N 4.633 123.684 119.070 -0.031 0.000 2.651 168 H HA 0.551 5.106 4.556 -0.001 0.000 0.353 168 H C -2.155 173.113 175.328 -0.101 0.000 1.178 168 H CA -2.210 53.797 56.048 -0.069 0.000 1.224 168 H CB 2.263 31.993 29.762 -0.053 0.000 1.702 168 H HN 0.358 nan 8.280 nan 0.000 0.550 169 P HA 0.029 nan 4.420 nan 0.000 0.297 169 P C -0.725 176.405 177.300 -0.284 0.000 1.307 169 P CA -0.555 62.447 63.100 -0.163 0.000 0.773 169 P CB 0.938 32.478 31.700 -0.268 0.000 1.265 170 N N -0.555 117.978 118.700 -0.278 0.000 2.455 170 N HA 0.069 4.809 4.740 -0.001 0.000 0.280 170 N C 0.460 175.783 175.510 -0.312 0.000 1.055 170 N CA -0.022 52.910 53.050 -0.197 0.000 0.961 170 N CB 0.016 38.445 38.487 -0.098 0.000 1.121 170 N HN 0.285 nan 8.380 nan 0.000 0.476 171 H N 2.469 121.520 119.070 -0.033 0.000 2.652 171 H HA 0.230 4.785 4.556 -0.001 0.000 0.274 171 H C 1.276 176.591 175.328 -0.023 0.000 1.021 171 H CA 0.442 56.462 56.048 -0.047 0.000 1.187 171 H CB 0.291 30.000 29.762 -0.087 0.000 1.505 171 H HN 0.791 nan 8.280 nan 0.000 0.530 172 G N 1.880 110.735 108.800 0.092 0.000 2.556 172 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.283 172 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.283 172 G C -0.283 174.716 174.900 0.165 0.000 1.177 172 G CA 0.257 45.425 45.100 0.112 0.000 0.978 172 G HN 0.344 nan 8.290 nan 0.000 0.554 173 F N 2.334 122.304 119.950 0.033 0.000 2.405 173 F HA 0.708 5.235 4.527 -0.001 0.000 0.355 173 F C 0.323 176.131 175.800 0.014 0.000 1.121 173 F CA -0.030 57.984 58.000 0.024 0.000 1.112 173 F CB 1.686 40.697 39.000 0.019 0.000 1.126 173 F HN 0.906 nan 8.300 nan 0.000 0.481 174 S N 5.823 121.092 115.700 -0.719 0.000 2.535 174 S HA 0.430 4.900 4.470 -0.001 0.000 0.272 174 S C -0.035 174.202 174.600 -0.605 0.000 1.149 174 S CA -0.780 57.047 58.200 -0.622 0.000 0.888 174 S CB 0.986 64.001 63.200 -0.308 0.000 1.110 174 S HN 0.751 nan 8.310 nan 0.000 0.463 175 L N 1.711 122.640 121.223 -0.490 0.000 2.509 175 L HA 0.276 4.616 4.340 -0.001 0.000 0.222 175 L C 0.187 176.886 176.870 -0.286 0.000 1.123 175 L CA 0.237 54.892 54.840 -0.308 0.000 0.856 175 L CB -0.113 41.845 42.059 -0.169 0.000 0.985 175 L HN 0.566 nan 8.230 nan 0.000 0.456 176 D N 0.025 120.241 120.400 -0.307 0.000 2.350 176 D HA 0.020 4.659 4.640 -0.001 0.000 0.249 176 D C -0.172 175.946 176.300 -0.304 0.000 1.119 176 D CA 0.039 53.864 54.000 -0.293 0.000 0.886 176 D CB 0.960 41.596 40.800 -0.273 0.000 1.195 176 D HN 0.046 nan 8.370 nan 0.000 0.437 177 H N 2.195 121.056 119.070 -0.348 0.000 3.157 177 H HA 0.151 4.706 4.556 -0.001 0.000 0.260 177 H C -0.578 174.552 175.328 -0.331 0.000 1.232 177 H CA 0.363 56.198 56.048 -0.354 0.000 1.488 177 H CB 0.129 29.657 29.762 -0.391 0.000 1.548 177 H HN 0.239 nan 8.280 nan 0.000 0.487 178 E N 3.203 123.032 120.200 -0.619 0.000 2.367 178 E HA 0.112 4.461 4.350 -0.001 0.000 0.273 178 E C -0.832 175.523 176.600 -0.409 0.000 0.903 178 E CA -1.157 54.950 56.400 -0.489 0.000 0.764 178 E CB 1.964 31.330 29.700 -0.556 0.000 1.252 178 E HN 0.655 nan 8.360 nan 0.000 0.446 179 E N 0.997 121.062 120.200 -0.225 0.000 2.465 179 E HA 0.270 4.619 4.350 -0.001 0.000 0.260 179 E C 0.053 176.674 176.600 0.034 0.000 0.980 179 E CA 0.732 57.050 56.400 -0.136 0.000 0.927 179 E CB 0.304 29.945 29.700 -0.099 0.000 0.934 179 E HN 0.702 nan 8.360 nan 0.000 0.459 180 G N 2.538 111.318 108.800 -0.032 0.000 2.343 180 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.562 180 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.562 180 G C -0.820 174.068 174.900 -0.019 0.000 1.269 180 G CA -0.430 44.684 45.100 0.023 0.000 1.011 180 G HN 0.557 nan 8.290 nan 0.000 0.498 181 T N 0.843 115.403 114.554 0.010 0.000 2.859 181 T HA 0.792 5.142 4.350 -0.001 0.000 0.281 181 T C 0.362 175.099 174.700 0.061 0.000 1.005 181 T CA 0.074 62.156 62.100 -0.031 0.000 1.025 181 T CB 1.381 70.270 68.868 0.035 0.000 0.977 181 T HN 1.027 nan 8.240 nan 0.000 0.458 182 R N 1.315 121.833 120.500 0.030 0.000 2.728 182 R HA 0.599 4.938 4.340 -0.001 0.000 0.274 182 R C -1.965 174.374 176.300 0.065 0.000 1.030 182 R CA -0.962 55.175 56.100 0.062 0.000 0.876 182 R CB 0.878 31.193 30.300 0.026 0.000 1.259 182 R HN 0.493 nan 8.270 nan 0.000 0.468 183 I N 1.508 122.145 120.570 0.111 0.000 2.339 183 I HA 0.290 4.459 4.170 -0.001 0.000 0.290 183 I C 0.098 176.321 176.117 0.176 0.000 0.994 183 I CA -0.631 60.779 61.300 0.183 0.000 1.191 183 I CB 2.028 40.188 38.000 0.267 0.000 1.343 183 I HN 0.701 nan 8.210 nan 0.000 0.458 184 T N 3.873 118.502 114.554 0.125 0.000 2.889 184 T HA 0.610 4.959 4.350 -0.001 0.000 0.278 184 T C 0.342 175.208 174.700 0.276 0.000 0.995 184 T CA -0.356 61.764 62.100 0.034 0.000 0.966 184 T CB 1.483 70.328 68.868 -0.038 0.000 1.237 184 T HN 0.688 nan 8.240 nan 0.000 0.591 185 G N 0.388 109.330 108.800 0.236 0.000 2.580 185 G HA2 0.508 4.467 3.960 -0.001 0.000 0.278 185 G HA3 0.508 4.467 3.960 -0.001 0.000 0.278 185 G C -0.774 174.282 174.900 0.260 0.000 1.212 185 G CA -0.294 45.008 45.100 0.335 0.000 0.939 185 G HN 0.706 nan 8.290 nan 0.000 0.513 186 S N -2.365 113.479 115.700 0.239 0.000 2.564 186 S HA 0.509 4.978 4.470 -0.001 0.000 0.274 186 S C 0.864 175.596 174.600 0.220 0.000 1.124 186 S CA 0.103 58.438 58.200 0.225 0.000 0.869 186 S CB 1.495 64.858 63.200 0.271 0.000 1.105 186 S HN 0.935 nan 8.310 nan 0.000 0.472 187 T N 0.662 115.273 114.554 0.094 0.000 3.129 187 T HA 0.345 4.695 4.350 -0.001 0.000 0.251 187 T C 0.125 174.874 174.700 0.082 0.000 1.117 187 T CA 0.129 62.285 62.100 0.093 0.000 1.034 187 T CB -0.669 68.179 68.868 -0.034 0.000 0.968 187 T HN 0.410 nan 8.240 nan 0.000 0.526 188 F N 3.418 123.478 119.950 0.182 0.000 2.410 188 F HA 0.425 4.951 4.527 -0.001 0.000 0.349 188 F C 0.749 176.512 175.800 -0.063 0.000 1.117 188 F CA -1.535 56.502 58.000 0.063 0.000 1.104 188 F CB 0.925 39.949 39.000 0.040 0.000 1.122 188 F HN 0.142 nan 8.300 nan 0.000 0.483 189 D N 0.981 121.315 120.400 -0.110 0.000 2.447 189 D HA 0.067 4.707 4.640 -0.001 0.000 0.265 189 D C 0.304 176.519 176.300 -0.143 0.000 1.250 189 D CA -0.501 53.187 54.000 -0.520 0.000 1.046 189 D CB 0.298 40.513 40.800 -0.975 0.000 1.095 189 D HN 0.424 nan 8.370 nan 0.000 0.555 190 N N -1.353 117.270 118.700 -0.127 0.000 2.573 190 N HA -0.047 4.693 4.740 -0.001 0.000 0.187 190 N C 0.690 176.178 175.510 -0.037 0.000 1.107 190 N CA 0.643 53.667 53.050 -0.044 0.000 0.918 190 N CB 0.008 38.480 38.487 -0.026 0.000 0.966 190 N HN 0.346 nan 8.380 nan 0.000 0.448 191 K N -0.818 119.555 120.400 -0.045 0.000 2.358 191 K HA 0.226 4.545 4.320 -0.001 0.000 0.200 191 K C 0.708 177.289 176.600 -0.032 0.000 1.030 191 K CA 0.244 56.513 56.287 -0.030 0.000 1.097 191 K CB 0.796 33.283 32.500 -0.021 0.000 0.862 191 K HN 0.170 nan 8.250 nan 0.000 0.534 192 G N 1.424 110.205 108.800 -0.032 0.000 2.157 192 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.248 192 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.248 192 G C 0.173 175.080 174.900 0.011 0.000 0.979 192 G CA 0.132 45.202 45.100 -0.050 0.000 0.650 192 G HN 0.257 nan 8.290 nan 0.000 0.529 193 T N 1.351 115.917 114.554 0.019 0.000 2.851 193 T HA 0.414 4.763 4.350 -0.001 0.000 0.298 193 T C 0.676 175.398 174.700 0.037 0.000 0.977 193 T CA -0.067 62.028 62.100 -0.009 0.000 1.126 193 T CB 1.234 70.050 68.868 -0.087 0.000 0.916 193 T HN 0.488 nan 8.240 nan 0.000 0.529 194 R N 2.960 123.525 120.500 0.108 0.000 2.340 194 R HA 0.179 4.518 4.340 -0.001 0.000 0.300 194 R C -0.553 175.683 176.300 -0.106 0.000 1.069 194 R CA -0.406 55.777 56.100 0.138 0.000 0.984 194 R CB 0.373 30.811 30.300 0.230 0.000 1.003 194 R HN 0.693 nan 8.270 nan 0.000 0.459 195 H N 1.375 120.512 119.070 0.112 0.000 2.569 195 H HA 0.694 5.250 4.556 -0.001 0.000 0.357 195 H C -0.621 174.745 175.328 0.064 0.000 1.153 195 H CA -0.387 55.721 56.048 0.099 0.000 1.193 195 H CB 2.179 32.014 29.762 0.122 0.000 1.602 195 H HN 0.795 nan 8.280 nan 0.000 0.523 196 A N 0.525 123.441 122.820 0.160 0.000 2.534 196 A HA 0.586 4.905 4.320 -0.001 0.000 0.300 196 A C 0.715 178.338 177.584 0.065 0.000 1.223 196 A CA 0.049 52.154 52.037 0.113 0.000 0.666 196 A CB 0.121 19.206 19.000 0.142 0.000 1.316 196 A HN 0.641 nan 8.150 nan 0.000 0.468 197 A N 0.125 122.984 122.820 0.066 0.000 1.978 197 A HA -0.149 4.170 4.320 -0.001 0.000 0.220 197 A C 1.542 179.123 177.584 -0.006 0.000 1.170 197 A CA 2.420 54.483 52.037 0.045 0.000 0.636 197 A CB -0.935 18.102 19.000 0.062 0.000 0.810 197 A HN 0.961 nan 8.150 nan 0.000 0.448 198 D N 0.086 120.479 120.400 -0.011 0.000 2.182 198 D HA -0.222 4.417 4.640 -0.001 0.000 0.201 198 D C 1.409 177.579 176.300 -0.216 0.000 0.986 198 D CA 1.552 55.460 54.000 -0.154 0.000 0.847 198 D CB -0.732 40.050 40.800 -0.030 0.000 0.942 198 D HN 0.647 nan 8.370 nan 0.000 0.467 199 E N 0.062 120.209 120.200 -0.087 0.000 2.338 199 E HA -0.005 4.344 4.350 -0.001 0.000 0.197 199 E C 2.217 178.767 176.600 -0.084 0.000 1.007 199 E CA 0.115 56.458 56.400 -0.094 0.000 0.849 199 E CB -0.060 29.506 29.700 -0.223 0.000 0.774 199 E HN 0.376 nan 8.360 nan 0.000 0.506 200 L N 0.534 121.708 121.223 -0.082 0.000 2.465 200 L HA -0.111 4.228 4.340 -0.001 0.000 0.224 200 L C 2.023 178.920 176.870 0.044 0.000 1.145 200 L CA 0.371 55.171 54.840 -0.067 0.000 0.834 200 L CB -0.205 41.881 42.059 0.046 0.000 0.944 200 L HN 0.204 nan 8.230 nan 0.000 0.451 201 L N -0.315 120.915 121.223 0.012 0.000 2.201 201 L HA -0.155 4.184 4.340 -0.001 0.000 0.212 201 L C 2.050 179.082 176.870 0.270 0.000 1.105 201 L CA 0.676 55.581 54.840 0.108 0.000 0.775 201 L CB -0.521 41.505 42.059 -0.056 0.000 0.913 201 L HN 0.384 nan 8.230 nan 0.000 0.440 202 N N 0.123 118.945 118.700 0.204 0.000 2.453 202 N HA -0.118 4.621 4.740 -0.001 0.000 0.183 202 N C 1.433 177.026 175.510 0.139 0.000 1.041 202 N CA 0.820 54.000 53.050 0.216 0.000 0.900 202 N CB -0.005 38.552 38.487 0.116 0.000 0.961 202 N HN 0.319 nan 8.380 nan 0.000 0.443 203 K N 0.608 121.066 120.400 0.095 0.000 2.459 203 K HA 0.101 4.420 4.320 -0.001 0.000 0.193 203 K C 1.228 177.947 176.600 0.200 0.000 1.030 203 K CA -0.046 56.311 56.287 0.116 0.000 1.026 203 K CB -0.059 32.498 32.500 0.097 0.000 0.809 203 K HN 0.092 nan 8.250 nan 0.000 0.504 204 G N 1.306 110.208 108.800 0.170 0.000 0.000 204 G HA2 0.012 3.972 3.960 -0.001 0.000 0.000 204 G HA3 0.012 3.972 3.960 -0.001 0.000 0.000 204 G C -0.386 174.535 174.900 0.035 0.000 0.000 204 G CA -0.482 44.670 45.100 0.087 0.000 0.000 204 G HN 0.094 nan 8.290 nan 0.000 0.000 205 N N -0.377 118.301 118.700 -0.037 0.000 2.414 205 N HA 0.044 4.784 4.740 -0.001 0.000 0.256 205 N C 1.598 177.024 175.510 -0.140 0.000 1.029 205 N CA 0.158 53.182 53.050 -0.044 0.000 0.948 205 N CB 1.395 39.859 38.487 -0.039 0.000 1.102 205 N HN 0.348 nan 8.380 nan 0.000 0.496 206 S N 2.334 118.000 115.700 -0.058 0.000 2.500 206 S HA -0.108 4.362 4.470 -0.001 0.000 0.239 206 S C 1.167 175.744 174.600 -0.038 0.000 0.989 206 S CA 0.635 58.800 58.200 -0.059 0.000 0.951 206 S CB -0.159 63.187 63.200 0.244 0.000 0.759 206 S HN 0.744 nan 8.310 nan 0.000 0.523 207 N N 0.635 119.319 118.700 -0.027 0.000 2.254 207 N HA 0.109 4.848 4.740 -0.001 0.000 0.190 207 N C 0.351 175.858 175.510 -0.005 0.000 1.107 207 N CA 0.206 53.263 53.050 0.012 0.000 0.869 207 N CB 0.109 38.610 38.487 0.024 0.000 0.983 207 N HN 0.334 nan 8.380 nan 0.000 0.487 208 N N 0.231 118.898 118.700 -0.055 0.000 2.257 208 N HA 0.084 4.823 4.740 -0.001 0.000 0.200 208 N C -0.548 174.937 175.510 -0.041 0.000 1.163 208 N CA -0.114 52.926 53.050 -0.017 0.000 0.891 208 N CB 0.958 39.442 38.487 -0.006 0.000 1.067 208 N HN 0.124 nan 8.380 nan 0.000 0.497 209 L N 1.690 122.778 121.223 -0.223 0.000 2.282 209 L HA 0.441 4.781 4.340 -0.001 0.000 0.288 209 L C -0.576 176.129 176.870 -0.276 0.000 1.033 209 L CA -0.339 54.315 54.840 -0.310 0.000 0.807 209 L CB 0.810 42.547 42.059 -0.538 0.000 1.209 209 L HN -0.101 nan 8.230 nan 0.000 0.423 210 R N 3.912 124.418 120.500 0.010 0.000 2.561 210 R HA 0.740 5.079 4.340 -0.001 0.000 0.297 210 R C -1.536 174.895 176.300 0.219 0.000 0.969 210 R CA -0.888 55.357 56.100 0.242 0.000 0.879 210 R CB 2.327 32.752 30.300 0.209 0.000 1.178 210 R HN 0.426 nan 8.270 nan 0.000 0.445 211 V N 1.567 121.717 119.914 0.393 0.000 2.495 211 V HA 0.605 4.725 4.120 -0.001 0.000 0.298 211 V C 0.212 176.421 176.094 0.191 0.000 1.031 211 V CA -0.754 61.682 62.300 0.227 0.000 0.871 211 V CB 1.971 33.944 31.823 0.250 0.000 0.988 211 V HN 0.946 nan 8.190 nan 0.000 0.432 212 G N 3.435 112.255 108.800 0.032 0.000 2.422 212 G HA2 0.646 4.605 3.960 -0.001 0.000 0.317 212 G HA3 0.646 4.605 3.960 -0.001 0.000 0.317 212 G C -0.610 174.260 174.900 -0.049 0.000 1.210 212 G CA -0.457 44.640 45.100 -0.006 0.000 0.930 212 G HN 0.837 nan 8.290 nan 0.000 0.468 213 V N 0.003 119.897 119.914 -0.034 0.000 3.093 213 V HA 0.628 4.748 4.120 -0.001 0.000 0.320 213 V C 0.684 176.742 176.094 -0.060 0.000 1.093 213 V CA -0.919 61.307 62.300 -0.123 0.000 1.016 213 V CB 0.839 32.503 31.823 -0.266 0.000 1.096 213 V HN 1.022 nan 8.190 nan 0.000 0.452 214 H N -0.545 118.551 119.070 0.043 0.000 2.791 214 H HA -0.102 4.453 4.556 -0.001 0.000 0.302 214 H C 0.361 175.713 175.328 0.040 0.000 1.198 214 H CA 0.436 56.514 56.048 0.049 0.000 1.145 214 H CB -1.102 28.695 29.762 0.060 0.000 1.385 214 H HN 1.239 nan 8.280 nan 0.000 0.409 215 A N 1.333 124.209 122.820 0.094 0.000 2.277 215 A HA 0.505 4.824 4.320 -0.001 0.000 0.318 215 A C 0.229 177.851 177.584 0.062 0.000 1.339 215 A CA -0.053 52.017 52.037 0.054 0.000 0.875 215 A CB 1.137 20.037 19.000 -0.167 0.000 1.158 215 A HN 0.270 nan 8.150 nan 0.000 0.514 216 S N 2.823 118.594 115.700 0.119 0.000 2.399 216 S HA 0.379 4.849 4.470 -0.001 0.000 0.301 216 S C -0.092 174.576 174.600 0.112 0.000 1.093 216 S CA -0.362 57.893 58.200 0.092 0.000 1.077 216 S CB -0.271 62.978 63.200 0.082 0.000 0.980 216 S HN 0.589 nan 8.310 nan 0.000 0.494 217 V N 6.712 126.671 119.914 0.075 0.000 2.439 217 V HA 0.171 4.290 4.120 -0.001 0.000 0.271 217 V C 0.991 177.117 176.094 0.053 0.000 1.040 217 V CA 0.203 62.549 62.300 0.077 0.000 1.002 217 V CB 0.696 32.533 31.823 0.023 0.000 1.000 217 V HN 0.934 nan 8.190 nan 0.000 0.477 218 E N 3.485 123.717 120.200 0.054 0.000 2.307 218 E HA 0.186 4.535 4.350 -0.001 0.000 0.195 218 E C 0.545 177.162 176.600 0.029 0.000 0.975 218 E CA 0.126 56.548 56.400 0.037 0.000 0.878 218 E CB 0.843 30.563 29.700 0.034 0.000 0.845 218 E HN 0.608 nan 8.360 nan 0.000 0.488 219 K N 0.808 121.218 120.400 0.018 0.000 2.578 219 K HA 0.339 4.658 4.320 -0.001 0.000 0.269 219 K C -1.731 174.845 176.600 -0.040 0.000 0.941 219 K CA -0.503 55.792 56.287 0.014 0.000 0.847 219 K CB 1.645 34.161 32.500 0.027 0.000 1.397 219 K HN -0.123 nan 8.250 nan 0.000 0.422 220 I N 4.524 125.056 120.570 -0.062 0.000 2.396 220 I HA 0.309 4.478 4.170 -0.001 0.000 0.292 220 I C 0.038 175.907 176.117 -0.412 0.000 0.999 220 I CA -0.790 60.346 61.300 -0.272 0.000 1.310 220 I CB 1.114 38.903 38.000 -0.352 0.000 1.404 220 I HN 0.412 nan 8.210 nan 0.000 0.496 221 I N 5.855 126.153 120.570 -0.453 0.000 2.385 221 I HA 0.371 4.540 4.170 -0.001 0.000 0.294 221 I C -0.581 175.251 176.117 -0.476 0.000 0.988 221 I CA -0.202 60.924 61.300 -0.289 0.000 1.265 221 I CB 0.748 38.671 38.000 -0.129 0.000 1.388 221 I HN 0.340 nan 8.210 nan 0.000 0.480 222 F N 2.873 122.855 119.950 0.054 0.000 2.618 222 F HA 0.730 5.256 4.527 -0.001 0.000 0.332 222 F C 0.295 176.129 175.800 0.058 0.000 1.061 222 F CA -0.462 57.570 58.000 0.053 0.000 0.974 222 F CB 2.074 41.098 39.000 0.040 0.000 1.310 222 F HN 0.517 nan 8.300 nan 0.000 0.491 223 S N -0.056 115.805 115.700 0.269 0.000 2.636 223 S HA 0.474 4.943 4.470 -0.001 0.000 0.266 223 S C -2.158 172.516 174.600 0.122 0.000 1.147 223 S CA -1.190 57.103 58.200 0.155 0.000 0.815 223 S CB 1.665 64.932 63.200 0.111 0.000 1.119 223 S HN 0.491 nan 8.310 nan 0.000 0.470 224 N N 1.204 119.950 118.700 0.077 0.000 2.707 224 N HA 0.576 5.316 4.740 -0.001 0.000 0.235 224 N C -1.021 174.513 175.510 0.040 0.000 1.028 224 N CA -0.200 52.882 53.050 0.054 0.000 0.906 224 N CB 1.426 39.935 38.487 0.037 0.000 1.131 224 N HN 0.881 nan 8.380 nan 0.000 0.509 225 A N 2.515 125.358 122.820 0.040 0.000 3.258 225 A HA 0.346 4.666 4.320 -0.001 0.000 0.318 225 A C -1.142 176.453 177.584 0.019 0.000 0.990 225 A CA -0.711 51.341 52.037 0.024 0.000 0.885 225 A CB 0.394 19.406 19.000 0.021 0.000 1.090 225 A HN 0.365 nan 8.150 nan 0.000 0.479 226 P HA 0.169 nan 4.420 nan 0.000 0.238 226 P C 0.817 178.130 177.300 0.022 0.000 1.183 226 P CA 0.602 63.712 63.100 0.017 0.000 0.813 226 P CB 0.510 32.216 31.700 0.010 0.000 0.944 227 G N 1.201 110.016 108.800 0.026 0.000 2.502 227 G HA2 0.401 4.360 3.960 -0.001 0.000 0.305 227 G HA3 0.401 4.360 3.960 -0.001 0.000 0.305 227 G C -0.748 174.180 174.900 0.047 0.000 1.190 227 G CA -0.574 44.543 45.100 0.029 0.000 0.933 227 G HN 0.166 nan 8.290 nan 0.000 0.503 228 L N 0.837 122.087 121.223 0.045 0.000 2.584 228 L HA 0.346 4.685 4.340 -0.001 0.000 0.272 228 L C 0.154 177.098 176.870 0.122 0.000 1.195 228 L CA 0.690 55.572 54.840 0.069 0.000 0.920 228 L CB -0.299 41.771 42.059 0.018 0.000 1.173 228 L HN 0.419 nan 8.230 nan 0.000 0.489 229 T N 4.423 119.090 114.554 0.189 0.000 2.916 229 T HA 0.718 5.067 4.350 -0.001 0.000 0.305 229 T C -0.580 174.276 174.700 0.260 0.000 1.119 229 T CA -0.212 62.004 62.100 0.193 0.000 1.008 229 T CB 1.576 70.506 68.868 0.104 0.000 1.129 229 T HN 0.825 nan 8.240 nan 0.000 0.480 230 A N 1.466 124.387 122.820 0.169 0.000 2.366 230 A HA 0.559 4.879 4.320 -0.001 0.000 0.272 230 A C 1.264 178.811 177.584 -0.062 0.000 1.135 230 A CA -0.116 51.864 52.037 -0.095 0.000 0.804 230 A CB 0.011 18.925 19.000 -0.142 0.000 1.064 230 A HN 0.999 nan 8.150 nan 0.000 0.499 231 T N -0.545 113.958 114.554 -0.085 0.000 2.985 231 T HA 0.548 4.898 4.350 -0.001 0.000 0.254 231 T C 0.767 175.511 174.700 0.073 0.000 1.021 231 T CA 0.702 62.834 62.100 0.053 0.000 0.957 231 T CB 0.070 69.034 68.868 0.159 0.000 1.047 231 T HN 2.027 nan 8.240 nan 0.000 0.511 232 G N 0.805 109.536 108.800 -0.114 0.000 2.344 232 G HA2 0.449 4.409 3.960 -0.001 0.000 0.282 232 G HA3 0.449 4.409 3.960 -0.001 0.000 0.282 232 G C -1.614 173.122 174.900 -0.274 0.000 1.281 232 G CA -0.107 44.865 45.100 -0.213 0.000 0.877 232 G HN 1.125 nan 8.290 nan 0.000 0.494 233 V N -2.453 117.295 119.914 -0.276 0.000 3.159 233 V HA 0.878 4.998 4.120 -0.001 0.000 0.308 233 V C -0.792 175.223 176.094 -0.131 0.000 1.190 233 V CA -1.245 60.951 62.300 -0.172 0.000 1.037 233 V CB 1.850 33.623 31.823 -0.082 0.000 1.060 233 V HN 0.942 nan 8.190 nan 0.000 0.437 234 I N 3.045 123.579 120.570 -0.061 0.000 2.378 234 I HA 0.643 4.812 4.170 -0.001 0.000 0.291 234 I C -0.904 175.250 176.117 0.061 0.000 0.992 234 I CA -0.619 60.651 61.300 -0.051 0.000 1.154 234 I CB 1.629 39.593 38.000 -0.058 0.000 1.315 234 I HN 0.918 nan 8.210 nan 0.000 0.448 235 Y N 4.333 124.618 120.300 -0.025 0.000 2.536 235 Y HA 0.779 5.329 4.550 -0.001 0.000 0.347 235 Y C -0.833 175.081 175.900 0.023 0.000 1.000 235 Y CA -1.296 56.791 58.100 -0.022 0.000 1.051 235 Y CB 1.216 39.638 38.460 -0.064 0.000 1.259 235 Y HN 0.431 nan 8.280 nan 0.000 0.468 236 R N 1.836 122.415 120.500 0.132 0.000 2.637 236 R HA 0.358 4.697 4.340 -0.001 0.000 0.291 236 R C -1.347 175.028 176.300 0.125 0.000 0.963 236 R CA -0.715 55.438 56.100 0.087 0.000 0.901 236 R CB 1.307 31.648 30.300 0.068 0.000 1.160 236 R HN 1.006 nan 8.270 nan 0.000 0.457 237 D N 0.804 121.276 120.400 0.120 0.000 2.478 237 D HA 0.046 4.686 4.640 -0.001 0.000 0.263 237 D C 0.766 177.124 176.300 0.097 0.000 1.153 237 D CA -0.511 53.561 54.000 0.121 0.000 1.038 237 D CB 0.901 41.788 40.800 0.146 0.000 1.120 237 D HN 0.423 nan 8.370 nan 0.000 0.564 238 S N -0.709 115.037 115.700 0.077 0.000 2.500 238 S HA -0.173 4.296 4.470 -0.001 0.000 0.239 238 S C 0.926 175.545 174.600 0.030 0.000 0.989 238 S CA 0.471 58.685 58.200 0.025 0.000 0.951 238 S CB -0.582 62.595 63.200 -0.039 0.000 0.759 238 S HN 0.472 nan 8.310 nan 0.000 0.523 239 N N 1.155 119.889 118.700 0.057 0.000 2.336 239 N HA 0.192 4.931 4.740 -0.001 0.000 0.189 239 N C 1.299 176.835 175.510 0.044 0.000 1.113 239 N CA 0.780 53.858 53.050 0.047 0.000 0.858 239 N CB 0.410 38.932 38.487 0.058 0.000 0.970 239 N HN 0.675 nan 8.380 nan 0.000 0.471 240 G N 0.286 109.118 108.800 0.053 0.000 2.176 240 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.253 240 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.253 240 G C 0.067 174.994 174.900 0.045 0.000 0.979 240 G CA 0.341 45.466 45.100 0.043 0.000 0.641 240 G HN 0.299 nan 8.290 nan 0.000 0.530 241 T N 3.967 118.563 114.554 0.070 0.000 2.794 241 T HA 0.519 4.869 4.350 -0.001 0.000 0.296 241 T C -2.026 172.728 174.700 0.091 0.000 0.949 241 T CA -0.471 61.657 62.100 0.046 0.000 1.101 241 T CB 2.207 71.092 68.868 0.029 0.000 0.905 241 T HN 0.265 nan 8.240 nan 0.000 0.516 242 P HA 0.416 nan 4.420 nan 0.000 0.288 242 P C -1.024 176.203 177.300 -0.121 0.000 1.267 242 P CA -0.554 62.537 63.100 -0.016 0.000 0.815 242 P CB 0.958 32.630 31.700 -0.047 0.000 0.989 243 H N -0.012 118.732 119.070 -0.544 0.000 2.797 243 H HA 0.545 5.101 4.556 -0.001 0.000 0.362 243 H C -0.035 174.939 175.328 -0.590 0.000 1.183 243 H CA -0.510 55.151 56.048 -0.646 0.000 1.197 243 H CB 1.408 30.486 29.762 -1.141 0.000 1.835 243 H HN 0.327 nan 8.280 nan 0.000 0.567 244 Q N 0.172 119.866 119.800 -0.177 0.000 2.347 244 Q HA 0.758 5.097 4.340 -0.001 0.000 0.271 244 Q C -1.361 174.603 176.000 -0.062 0.000 1.064 244 Q CA -1.199 54.481 55.803 -0.205 0.000 0.800 244 Q CB 3.187 31.788 28.738 -0.227 0.000 1.304 244 Q HN 0.720 nan 8.270 nan 0.000 0.438 245 A N 2.831 125.569 122.820 -0.137 0.000 2.332 245 A HA 0.766 5.085 4.320 -0.001 0.000 0.300 245 A C -1.389 176.086 177.584 -0.182 0.000 1.153 245 A CA -0.395 51.686 52.037 0.073 0.000 0.764 245 A CB 0.418 19.518 19.000 0.168 0.000 1.174 245 A HN 0.587 nan 8.150 nan 0.000 0.467 246 F N 1.299 121.349 119.950 0.166 0.000 2.483 246 F HA 0.631 5.157 4.527 -0.001 0.000 0.329 246 F C 0.564 176.412 175.800 0.081 0.000 1.064 246 F CA -0.719 57.328 58.000 0.078 0.000 0.986 246 F CB 2.115 41.135 39.000 0.034 0.000 1.218 246 F HN 0.488 nan 8.300 nan 0.000 0.484 247 V N -0.311 119.727 119.914 0.208 0.000 2.667 247 V HA 0.681 4.801 4.120 -0.001 0.000 0.308 247 V C -0.224 175.882 176.094 0.019 0.000 1.048 247 V CA -1.165 61.173 62.300 0.063 0.000 0.928 247 V CB 1.538 33.331 31.823 -0.050 0.000 1.004 247 V HN 0.761 nan 8.190 nan 0.000 0.444 248 R N 1.546 122.017 120.500 -0.048 0.000 2.541 248 R HA 0.497 4.837 4.340 -0.001 0.000 0.254 248 R C 0.518 176.757 176.300 -0.101 0.000 1.130 248 R CA -0.420 55.643 56.100 -0.061 0.000 1.152 248 R CB 0.812 31.078 30.300 -0.057 0.000 1.222 248 R HN 0.882 nan 8.270 nan 0.000 0.579 249 S N 0.616 116.270 115.700 -0.077 0.000 2.642 249 S HA -0.095 4.374 4.470 -0.001 0.000 0.308 249 S C 0.252 174.779 174.600 -0.120 0.000 1.255 249 S CA 0.853 59.007 58.200 -0.076 0.000 1.057 249 S CB -0.015 63.156 63.200 -0.049 0.000 0.785 249 S HN 0.650 nan 8.310 nan 0.000 0.500 250 K N 0.785 121.117 120.400 -0.115 0.000 3.584 250 K HA -0.169 4.151 4.320 -0.001 0.000 0.300 250 K C 0.705 177.149 176.600 -0.261 0.000 1.285 250 K CA 1.050 57.252 56.287 -0.141 0.000 1.008 250 K CB -2.103 30.322 32.500 -0.125 0.000 1.271 250 K HN 0.785 nan 8.250 nan 0.000 0.447 251 G N 0.958 109.546 108.800 -0.353 0.000 2.580 251 G HA2 0.447 4.406 3.960 -0.001 0.000 0.278 251 G HA3 0.447 4.406 3.960 -0.001 0.000 0.278 251 G C -0.452 174.211 174.900 -0.396 0.000 1.212 251 G CA -0.300 44.405 45.100 -0.657 0.000 0.939 251 G HN 0.205 nan 8.290 nan 0.000 0.513 252 E N -1.540 118.416 120.200 -0.408 0.000 2.413 252 E HA 0.406 4.755 4.350 -0.001 0.000 0.277 252 E C -1.464 175.159 176.600 0.040 0.000 0.958 252 E CA -0.842 55.533 56.400 -0.041 0.000 0.779 252 E CB 2.667 32.447 29.700 0.134 0.000 1.278 252 E HN 0.229 nan 8.360 nan 0.000 0.456 253 V N 2.578 122.505 119.914 0.021 0.000 2.394 253 V HA 0.416 4.535 4.120 -0.001 0.000 0.282 253 V C -0.337 175.775 176.094 0.030 0.000 1.031 253 V CA -0.355 61.947 62.300 0.004 0.000 0.881 253 V CB 0.779 32.566 31.823 -0.060 0.000 0.982 253 V HN 0.471 nan 8.190 nan 0.000 0.451 254 I N 5.171 125.758 120.570 0.028 0.000 2.436 254 I HA 0.425 4.595 4.170 -0.001 0.000 0.289 254 I C -0.549 175.564 176.117 -0.007 0.000 1.010 254 I CA -0.845 60.465 61.300 0.017 0.000 1.098 254 I CB 2.146 40.150 38.000 0.008 0.000 1.266 254 I HN 0.243 nan 8.210 nan 0.000 0.434 255 V N 4.912 124.825 119.914 -0.002 0.000 2.364 255 V HA 0.258 4.378 4.120 -0.001 0.000 0.272 255 V C 0.463 176.550 176.094 -0.011 0.000 1.036 255 V CA -0.072 62.224 62.300 -0.008 0.000 0.880 255 V CB 1.157 32.982 31.823 0.003 0.000 0.991 255 V HN 0.838 nan 8.190 nan 0.000 0.460 256 S N 3.068 118.757 115.700 -0.019 0.000 2.740 256 S HA 0.306 4.776 4.470 -0.001 0.000 0.244 256 S C 1.204 175.797 174.600 -0.011 0.000 1.101 256 S CA 0.275 58.461 58.200 -0.022 0.000 1.123 256 S CB 1.026 64.207 63.200 -0.033 0.000 1.012 256 S HN 0.894 nan 8.310 nan 0.000 0.491 257 A N 1.340 124.158 122.820 -0.003 0.000 2.259 257 A HA 0.612 4.932 4.320 -0.001 0.000 0.208 257 A C 1.255 178.854 177.584 0.025 0.000 1.201 257 A CA 0.404 52.446 52.037 0.008 0.000 0.824 257 A CB -0.696 18.308 19.000 0.006 0.000 0.838 257 A HN 1.057 nan 8.150 nan 0.000 0.485 258 G N -2.142 106.670 108.800 0.021 0.000 2.746 258 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.685 258 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.685 258 G C 0.512 175.455 174.900 0.070 0.000 1.350 258 G CA -0.179 44.950 45.100 0.048 0.000 0.837 258 G HN 0.420 nan 8.290 nan 0.000 0.564 259 T N 0.352 114.987 114.554 0.135 0.000 2.737 259 T HA -0.149 4.201 4.350 -0.001 0.000 0.269 259 T C 2.398 177.166 174.700 0.114 0.000 1.040 259 T CA 1.921 64.129 62.100 0.181 0.000 1.142 259 T CB -0.148 68.949 68.868 0.383 0.000 0.861 259 T HN 0.443 nan 8.240 nan 0.000 0.456 260 I N 0.655 121.270 120.570 0.074 0.000 2.429 260 I HA 0.135 4.304 4.170 -0.001 0.000 0.247 260 I C 2.905 178.998 176.117 -0.039 0.000 1.099 260 I CA 1.052 62.321 61.300 -0.053 0.000 1.422 260 I CB -1.768 36.114 38.000 -0.196 0.000 1.112 260 I HN 0.283 nan 8.210 nan 0.000 0.430 261 G N 0.557 109.354 108.800 -0.005 0.000 2.408 261 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.217 261 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.217 261 G C 1.677 176.580 174.900 0.005 0.000 1.150 261 G CA 1.235 46.334 45.100 -0.002 0.000 0.776 261 G HN 0.289 nan 8.290 nan 0.000 0.542 262 T N 1.908 116.469 114.554 0.012 0.000 2.701 262 T HA -0.050 4.299 4.350 -0.001 0.000 0.263 262 T C 0.205 174.912 174.700 0.011 0.000 1.040 262 T CA 1.515 63.623 62.100 0.012 0.000 1.147 262 T CB -0.818 68.059 68.868 0.015 0.000 0.865 262 T HN 0.226 nan 8.240 nan 0.000 0.426 263 P HA -0.089 nan 4.420 nan 0.000 0.217 263 P C 1.622 178.924 177.300 0.003 0.000 1.150 263 P CA 1.038 64.138 63.100 -0.000 0.000 0.832 263 P CB -0.072 31.622 31.700 -0.011 0.000 0.787 264 Q N -0.446 119.352 119.800 -0.003 0.000 2.061 264 Q HA -0.204 4.136 4.340 -0.001 0.000 0.204 264 Q C 1.993 178.009 176.000 0.026 0.000 0.984 264 Q CA 1.433 57.240 55.803 0.006 0.000 0.846 264 Q CB -0.744 27.987 28.738 -0.012 0.000 0.902 264 Q HN 0.098 nan 8.270 nan 0.000 0.421 265 L N 0.627 121.864 121.223 0.024 0.000 2.083 265 L HA -0.133 4.206 4.340 -0.001 0.000 0.209 265 L C 2.102 179.007 176.870 0.059 0.000 1.083 265 L CA 1.471 56.333 54.840 0.036 0.000 0.752 265 L CB -0.441 41.634 42.059 0.026 0.000 0.899 265 L HN 0.313 nan 8.230 nan 0.000 0.433 266 L N -1.368 119.887 121.223 0.054 0.000 2.017 266 L HA -0.254 4.086 4.340 -0.001 0.000 0.208 266 L C 2.515 179.433 176.870 0.081 0.000 1.073 266 L CA 1.415 56.298 54.840 0.072 0.000 0.745 266 L CB -0.599 41.478 42.059 0.031 0.000 0.894 266 L HN 0.295 nan 8.230 nan 0.000 0.432 267 L N -0.569 120.697 121.223 0.071 0.000 2.017 267 L HA -0.252 4.088 4.340 -0.001 0.000 0.208 267 L C 2.497 179.424 176.870 0.094 0.000 1.073 267 L CA 1.279 56.179 54.840 0.101 0.000 0.745 267 L CB -0.514 41.624 42.059 0.133 0.000 0.894 267 L HN 0.264 nan 8.230 nan 0.000 0.432 268 L N -0.896 120.375 121.223 0.079 0.000 2.265 268 L HA -0.159 4.181 4.340 -0.001 0.000 0.215 268 L C 2.121 179.039 176.870 0.081 0.000 1.117 268 L CA 0.754 55.633 54.840 0.065 0.000 0.782 268 L CB -0.304 41.786 42.059 0.051 0.000 0.914 268 L HN 0.184 nan 8.230 nan 0.000 0.441 269 S N -0.636 115.133 115.700 0.115 0.000 2.575 269 S HA 0.214 4.684 4.470 -0.001 0.000 0.215 269 S C 1.350 176.056 174.600 0.176 0.000 0.966 269 S CA 0.587 58.902 58.200 0.192 0.000 0.911 269 S CB 0.590 63.961 63.200 0.284 0.000 0.780 269 S HN 0.619 nan 8.310 nan 0.000 0.514 270 G N 0.987 109.840 108.800 0.087 0.000 2.132 270 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.234 270 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.234 270 G C -0.049 174.841 174.900 -0.015 0.000 0.989 270 G CA -0.052 45.062 45.100 0.024 0.000 0.676 270 G HN 0.424 nan 8.290 nan 0.000 0.522 271 V N 0.664 120.592 119.914 0.023 0.000 2.293 271 V HA 0.839 4.958 4.120 -0.001 0.000 0.275 271 V C 0.775 176.904 176.094 0.058 0.000 1.021 271 V CA 0.544 62.854 62.300 0.017 0.000 0.815 271 V CB 0.668 32.496 31.823 0.009 0.000 1.025 271 V HN 1.492 nan 8.190 nan 0.000 0.448 272 G N 5.862 114.714 108.800 0.086 0.000 2.325 272 G HA2 0.375 4.334 3.960 -0.001 0.000 0.295 272 G HA3 0.375 4.334 3.960 -0.001 0.000 0.295 272 G C -3.495 171.447 174.900 0.070 0.000 1.274 272 G CA -0.877 44.276 45.100 0.088 0.000 0.857 272 G HN 0.354 nan 8.290 nan 0.000 0.499 273 P HA 0.165 nan 4.420 nan 0.000 0.262 273 P C 0.668 178.008 177.300 0.066 0.000 1.199 273 P CA 0.418 63.530 63.100 0.021 0.000 0.763 273 P CB 1.141 32.841 31.700 -0.000 0.000 0.790 274 E N 3.342 123.550 120.200 0.012 0.000 2.049 274 E HA -0.251 4.099 4.350 -0.001 0.000 0.198 274 E C 1.666 178.274 176.600 0.014 0.000 1.007 274 E CA 2.237 58.639 56.400 0.004 0.000 0.809 274 E CB -0.186 29.500 29.700 -0.022 0.000 0.749 274 E HN 0.491 nan 8.360 nan 0.000 0.450 275 S N -0.525 115.187 115.700 0.019 0.000 2.382 275 S HA -0.242 4.228 4.470 -0.001 0.000 0.228 275 S C 2.045 176.670 174.600 0.041 0.000 1.027 275 S CA 1.215 59.427 58.200 0.019 0.000 0.991 275 S CB -0.768 62.442 63.200 0.018 0.000 0.823 275 S HN 0.527 nan 8.310 nan 0.000 0.469 276 Y N 2.610 122.886 120.300 -0.040 0.000 2.133 276 Y HA 0.044 4.594 4.550 -0.001 0.000 0.287 276 Y C 2.058 177.941 175.900 -0.029 0.000 1.134 276 Y CA 1.311 59.389 58.100 -0.036 0.000 1.133 276 Y CB -0.541 37.895 38.460 -0.041 0.000 0.987 276 Y HN 0.191 nan 8.280 nan 0.000 0.502 277 L N -0.883 120.307 121.223 -0.056 0.000 2.012 277 L HA -0.261 4.078 4.340 -0.001 0.000 0.210 277 L C 2.529 179.308 176.870 -0.152 0.000 1.073 277 L CA 1.667 56.428 54.840 -0.133 0.000 0.748 277 L CB -0.884 41.172 42.059 -0.005 0.000 0.891 277 L HN 0.147 nan 8.230 nan 0.000 0.431 278 S N -0.133 115.511 115.700 -0.093 0.000 2.382 278 S HA -0.186 4.283 4.470 -0.001 0.000 0.228 278 S C 2.190 176.727 174.600 -0.105 0.000 1.027 278 S CA 1.546 59.699 58.200 -0.079 0.000 0.991 278 S CB -0.308 62.862 63.200 -0.049 0.000 0.823 278 S HN 0.643 nan 8.310 nan 0.000 0.469 279 S N 1.510 117.129 115.700 -0.136 0.000 2.419 279 S HA 0.007 4.476 4.470 -0.001 0.000 0.235 279 S C 1.378 175.878 174.600 -0.167 0.000 1.019 279 S CA 0.881 58.998 58.200 -0.137 0.000 0.982 279 S CB -0.472 62.644 63.200 -0.141 0.000 0.789 279 S HN 0.495 nan 8.310 nan 0.000 0.490 280 L N 0.844 121.928 121.223 -0.232 0.000 2.667 280 L HA 0.370 4.710 4.340 -0.001 0.000 0.232 280 L C 0.121 176.915 176.870 -0.126 0.000 1.138 280 L CA -0.124 54.596 54.840 -0.200 0.000 0.921 280 L CB -0.835 41.047 42.059 -0.294 0.000 1.180 280 L HN 0.327 nan 8.230 nan 0.000 0.487 281 N N 0.234 118.872 118.700 -0.104 0.000 2.741 281 N HA -0.184 4.556 4.740 -0.001 0.000 0.250 281 N C -0.147 175.329 175.510 -0.056 0.000 1.115 281 N CA 0.120 53.130 53.050 -0.067 0.000 0.724 281 N CB -1.066 37.390 38.487 -0.051 0.000 1.090 281 N HN 0.286 nan 8.380 nan 0.000 0.558 282 I N 1.173 121.701 120.570 -0.070 0.000 2.312 282 I HA 0.242 4.412 4.170 -0.001 0.000 0.291 282 I C -1.960 174.140 176.117 -0.029 0.000 1.031 282 I CA -1.807 59.468 61.300 -0.042 0.000 1.293 282 I CB 0.816 38.789 38.000 -0.045 0.000 1.403 282 I HN -0.234 nan 8.210 nan 0.000 0.484 283 P HA -0.020 nan 4.420 nan 0.000 0.262 283 P C -0.575 176.715 177.300 -0.018 0.000 1.182 283 P CA -0.047 63.045 63.100 -0.012 0.000 0.761 283 P CB 0.397 32.099 31.700 0.003 0.000 0.795 284 V N 5.292 125.188 119.914 -0.029 0.000 2.408 284 V HA -0.011 4.109 4.120 -0.001 0.000 0.267 284 V C 1.514 177.565 176.094 -0.072 0.000 1.047 284 V CA 0.205 62.480 62.300 -0.041 0.000 0.937 284 V CB 1.074 32.876 31.823 -0.036 0.000 0.999 284 V HN 0.403 nan 8.190 nan 0.000 0.472 285 V N 5.460 125.301 119.914 -0.123 0.000 2.446 285 V HA 0.175 4.295 4.120 -0.001 0.000 0.244 285 V C 0.294 176.264 176.094 -0.207 0.000 1.039 285 V CA 1.010 63.170 62.300 -0.234 0.000 1.045 285 V CB 0.197 31.705 31.823 -0.525 0.000 0.681 285 V HN 0.623 nan 8.190 nan 0.000 0.459 286 L N -0.753 120.379 121.223 -0.151 0.000 2.614 286 L HA 0.446 4.785 4.340 -0.001 0.000 0.264 286 L C -0.386 176.468 176.870 -0.027 0.000 0.940 286 L CA -0.063 54.727 54.840 -0.084 0.000 0.903 286 L CB 1.819 43.843 42.059 -0.058 0.000 1.306 286 L HN -0.046 nan 8.230 nan 0.000 0.410 287 S N 4.105 119.770 115.700 -0.058 0.000 2.481 287 S HA 0.247 4.716 4.470 -0.001 0.000 0.282 287 S C -0.518 174.023 174.600 -0.098 0.000 1.243 287 S CA 0.184 58.350 58.200 -0.057 0.000 1.078 287 S CB -0.288 62.865 63.200 -0.079 0.000 0.916 287 S HN 0.619 nan 8.310 nan 0.000 0.495 288 H N 6.896 125.926 119.070 -0.067 0.000 2.761 288 H HA 0.268 4.823 4.556 -0.001 0.000 0.263 288 H C -1.916 173.339 175.328 -0.121 0.000 1.292 288 H CA -1.601 54.408 56.048 -0.064 0.000 1.540 288 H CB 1.795 31.545 29.762 -0.021 0.000 1.569 288 H HN 0.518 nan 8.280 nan 0.000 0.510 289 P HA -0.181 nan 4.420 nan 0.000 0.218 289 P C 0.607 177.641 177.300 -0.444 0.000 1.146 289 P CA 1.360 64.225 63.100 -0.392 0.000 0.813 289 P CB 0.087 31.403 31.700 -0.641 0.000 0.778 290 Y N -1.095 119.263 120.300 0.096 0.000 2.485 290 Y HA 0.152 4.701 4.550 -0.001 0.000 0.260 290 Y C 1.179 177.099 175.900 0.033 0.000 1.173 290 Y CA -0.737 57.407 58.100 0.074 0.000 1.252 290 Y CB 0.178 38.763 38.460 0.209 0.000 1.123 290 Y HN -0.331 nan 8.280 nan 0.000 0.524 291 V N 1.313 121.290 119.914 0.105 0.000 2.485 291 V HA 0.199 4.318 4.120 -0.001 0.000 0.287 291 V C 1.144 177.222 176.094 -0.027 0.000 1.022 291 V CA 1.230 63.550 62.300 0.033 0.000 1.067 291 V CB 0.169 31.994 31.823 0.003 0.000 0.967 291 V HN 0.721 nan 8.190 nan 0.000 0.479 292 G N 3.720 112.507 108.800 -0.021 0.000 2.175 292 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.244 292 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.244 292 G C 0.135 174.974 174.900 -0.102 0.000 0.982 292 G CA -0.207 44.849 45.100 -0.075 0.000 0.641 292 G HN 0.569 nan 8.290 nan 0.000 0.527 293 Q N -1.066 118.681 119.800 -0.089 0.000 2.193 293 Q HA 0.682 5.021 4.340 -0.001 0.000 0.246 293 Q C 0.799 176.692 176.000 -0.178 0.000 0.959 293 Q CA -0.827 54.812 55.803 -0.273 0.000 0.904 293 Q CB 0.349 28.808 28.738 -0.466 0.000 1.238 293 Q HN 0.721 nan 8.270 nan 0.000 0.469 294 F N -0.413 119.504 119.950 -0.055 0.000 2.985 294 F HA -0.214 4.312 4.527 -0.001 0.000 0.303 294 F C -0.344 175.477 175.800 0.036 0.000 0.976 294 F CA -0.306 57.569 58.000 -0.210 0.000 1.013 294 F CB -1.010 37.835 39.000 -0.258 0.000 1.060 294 F HN 0.254 nan 8.300 nan 0.000 0.780 295 L N 2.246 123.565 121.223 0.159 0.000 2.265 295 L HA 0.366 4.705 4.340 -0.001 0.000 0.288 295 L C 0.588 177.614 176.870 0.259 0.000 1.058 295 L CA 0.295 55.277 54.840 0.236 0.000 0.809 295 L CB 0.633 42.780 42.059 0.147 0.000 1.179 295 L HN 0.278 nan 8.230 nan 0.000 0.429 296 H N 2.332 121.456 119.070 0.089 0.000 2.524 296 H HA 0.325 4.880 4.556 -0.001 0.000 0.353 296 H C -1.099 174.059 175.328 -0.283 0.000 1.136 296 H CA -0.713 55.301 56.048 -0.057 0.000 1.193 296 H CB 2.983 32.608 29.762 -0.228 0.000 1.558 296 H HN 0.413 nan 8.280 nan 0.000 0.515 297 D N 2.077 122.345 120.400 -0.220 0.000 2.575 297 D HA 0.124 4.764 4.640 -0.001 0.000 0.250 297 D C -0.968 175.323 176.300 -0.015 0.000 1.279 297 D CA -0.638 53.141 54.000 -0.368 0.000 0.925 297 D CB 0.689 40.694 40.800 -1.324 0.000 1.261 297 D HN 0.416 nan 8.370 nan 0.000 0.567 298 N N 4.521 123.313 118.700 0.153 0.000 2.447 298 N HA 0.185 4.924 4.740 -0.001 0.000 0.263 298 N C -2.240 173.354 175.510 0.140 0.000 1.226 298 N CA -0.481 52.665 53.050 0.160 0.000 0.906 298 N CB 0.586 39.163 38.487 0.150 0.000 1.060 298 N HN 0.308 nan 8.380 nan 0.000 0.468 299 P HA 0.124 nan 4.420 nan 0.000 0.278 299 P C -0.885 176.474 177.300 0.099 0.000 1.238 299 P CA -0.317 62.809 63.100 0.042 0.000 0.794 299 P CB 0.990 32.608 31.700 -0.137 0.000 0.955 300 R N 2.343 122.877 120.500 0.056 0.000 2.437 300 R HA 0.448 4.787 4.340 -0.001 0.000 0.310 300 R C -0.987 175.405 176.300 0.153 0.000 0.955 300 R CA -0.513 55.688 56.100 0.170 0.000 0.851 300 R CB 0.677 30.924 30.300 -0.087 0.000 1.161 300 R HN 0.413 nan 8.270 nan 0.000 0.446 301 N N 3.060 121.877 118.700 0.195 0.000 2.292 301 N HA 0.586 5.325 4.740 -0.001 0.000 0.303 301 N C -1.531 174.079 175.510 0.167 0.000 1.140 301 N CA -0.365 52.714 53.050 0.049 0.000 0.788 301 N CB 1.526 40.064 38.487 0.084 0.000 1.361 301 N HN 0.451 nan 8.380 nan 0.000 0.489 302 F N -1.161 118.880 119.950 0.152 0.000 2.779 302 F HA 0.689 5.216 4.527 -0.001 0.000 0.316 302 F C -1.943 173.991 175.800 0.223 0.000 1.164 302 F CA -1.089 56.962 58.000 0.085 0.000 0.924 302 F CB 1.133 40.008 39.000 -0.208 0.000 1.348 302 F HN 0.085 nan 8.300 nan 0.000 0.467 303 I N 2.481 123.322 120.570 0.450 0.000 2.534 303 I HA 0.308 4.478 4.170 -0.001 0.000 0.288 303 I C -1.526 174.905 176.117 0.524 0.000 1.077 303 I CA -0.788 60.748 61.300 0.394 0.000 1.051 303 I CB 1.892 39.971 38.000 0.130 0.000 1.234 303 I HN 0.614 nan 8.210 nan 0.000 0.425 304 N N 7.286 126.323 118.700 0.561 0.000 2.424 304 N HA 0.540 5.279 4.740 -0.001 0.000 0.271 304 N C -0.423 175.328 175.510 0.401 0.000 0.985 304 N CA -0.347 53.062 53.050 0.597 0.000 0.921 304 N CB 2.516 41.385 38.487 0.637 0.000 1.149 304 N HN 0.569 nan 8.380 nan 0.000 0.492 305 I N -1.278 119.528 120.570 0.394 0.000 2.562 305 I HA 0.538 4.708 4.170 -0.001 0.000 0.301 305 I C -0.776 175.520 176.117 0.299 0.000 1.003 305 I CA -0.978 60.497 61.300 0.292 0.000 1.127 305 I CB 1.434 39.565 38.000 0.219 0.000 1.304 305 I HN 0.175 nan 8.210 nan 0.000 0.446 306 L N 6.057 127.437 121.223 0.263 0.000 2.335 306 L HA 0.504 4.843 4.340 -0.001 0.000 0.268 306 L C -2.348 174.647 176.870 0.208 0.000 1.037 306 L CA -1.646 53.315 54.840 0.202 0.000 0.895 306 L CB 0.862 43.005 42.059 0.139 0.000 1.266 306 L HN 0.398 nan 8.230 nan 0.000 0.439 307 P HA 0.044 nan 4.420 nan 0.000 0.266 307 P C -1.764 175.629 177.300 0.155 0.000 1.195 307 P CA -0.904 62.351 63.100 0.258 0.000 0.768 307 P CB 0.262 32.157 31.700 0.324 0.000 0.838 308 P HA -0.089 nan 4.420 nan 0.000 0.223 308 P C -0.309 177.023 177.300 0.053 0.000 1.151 308 P CA 1.382 64.521 63.100 0.065 0.000 0.787 308 P CB 0.406 32.126 31.700 0.034 0.000 0.788 309 N N 0.846 119.589 118.700 0.071 0.000 2.372 309 N HA 0.316 5.056 4.740 -0.001 0.000 0.285 309 N C -2.674 172.888 175.510 0.087 0.000 1.008 309 N CA -1.765 51.322 53.050 0.061 0.000 0.880 309 N CB 0.969 39.480 38.487 0.041 0.000 1.239 309 N HN -0.035 nan 8.380 nan 0.000 0.484 310 P HA 0.047 nan 4.420 nan 0.000 0.264 310 P C -0.184 177.133 177.300 0.029 0.000 1.179 310 P CA 0.241 63.355 63.100 0.022 0.000 0.763 310 P CB 0.494 32.199 31.700 0.007 0.000 0.806 311 I N -0.995 119.544 120.570 -0.052 0.000 2.797 311 I HA 0.605 4.775 4.170 -0.001 0.000 0.307 311 I C 0.129 176.162 176.117 -0.139 0.000 1.033 311 I CA -1.352 59.895 61.300 -0.088 0.000 1.071 311 I CB 2.090 39.894 38.000 -0.326 0.000 1.255 311 I HN 0.190 nan 8.210 nan 0.000 0.445 312 E N 4.259 124.405 120.200 -0.089 0.000 2.313 312 E HA 0.468 4.818 4.350 -0.001 0.000 0.272 312 E C -2.811 173.683 176.600 -0.176 0.000 1.038 312 E CA -2.285 54.057 56.400 -0.097 0.000 0.863 312 E CB 0.910 30.595 29.700 -0.025 0.000 1.060 312 E HN 0.420 nan 8.360 nan 0.000 0.402 313 P HA 0.084 nan 4.420 nan 0.000 0.271 313 P C -0.432 176.762 177.300 -0.176 0.000 1.218 313 P CA 0.040 62.979 63.100 -0.269 0.000 0.780 313 P CB 0.712 32.287 31.700 -0.208 0.000 0.901 314 T N -0.670 113.761 114.554 -0.206 0.000 2.864 314 T HA 0.676 5.025 4.350 -0.001 0.000 0.299 314 T C 0.168 174.886 174.700 0.030 0.000 1.166 314 T CA -0.992 61.079 62.100 -0.049 0.000 1.007 314 T CB 0.962 69.864 68.868 0.056 0.000 1.219 314 T HN 0.421 nan 8.240 nan 0.000 0.506 315 I N -0.248 120.369 120.570 0.079 0.000 2.428 315 I HA 0.727 4.896 4.170 -0.001 0.000 0.296 315 I C -0.215 176.030 176.117 0.213 0.000 0.985 315 I CA -1.402 59.987 61.300 0.149 0.000 1.260 315 I CB 1.238 39.288 38.000 0.083 0.000 1.389 315 I HN 0.393 nan 8.210 nan 0.000 0.484 316 V N 5.262 125.338 119.914 0.269 0.000 2.529 316 V HA 0.083 4.202 4.120 -0.001 0.000 0.292 316 V C 1.287 177.482 176.094 0.168 0.000 1.028 316 V CA 1.043 63.488 62.300 0.241 0.000 1.074 316 V CB 0.495 32.469 31.823 0.253 0.000 0.958 316 V HN 1.095 nan 8.190 nan 0.000 0.481 317 T N 1.127 115.776 114.554 0.160 0.000 3.051 317 T HA 0.160 4.510 4.350 -0.001 0.000 0.254 317 T C 0.179 174.959 174.700 0.133 0.000 0.916 317 T CA -0.050 62.134 62.100 0.141 0.000 0.894 317 T CB 0.272 69.233 68.868 0.154 0.000 1.251 317 T HN 0.227 nan 8.240 nan 0.000 0.517 318 V N 3.535 123.541 119.914 0.154 0.000 2.406 318 V HA 0.512 4.631 4.120 -0.001 0.000 0.272 318 V C -0.397 175.807 176.094 0.184 0.000 1.043 318 V CA -0.610 61.790 62.300 0.167 0.000 0.915 318 V CB 0.894 32.837 31.823 0.200 0.000 0.988 318 V HN 0.419 nan 8.190 nan 0.000 0.466 319 L N 4.600 125.859 121.223 0.061 0.000 2.341 319 L HA 0.722 5.061 4.340 -0.001 0.000 0.278 319 L C 0.609 177.263 176.870 -0.359 0.000 1.005 319 L CA -0.517 54.303 54.840 -0.033 0.000 0.818 319 L CB 1.882 43.937 42.059 -0.006 0.000 1.259 319 L HN 0.693 nan 8.230 nan 0.000 0.418 320 G N 4.545 112.882 108.800 -0.771 0.000 2.603 320 G HA2 0.531 4.490 3.960 -0.001 0.000 0.324 320 G HA3 0.531 4.490 3.960 -0.001 0.000 0.324 320 G C -0.402 174.237 174.900 -0.435 0.000 1.178 320 G CA -0.292 44.067 45.100 -1.234 0.000 1.023 320 G HN 0.271 nan 8.290 nan 0.000 0.482 321 I N 1.889 122.287 120.570 -0.286 0.000 2.331 321 I HA 0.382 4.551 4.170 -0.001 0.000 0.292 321 I C 0.324 176.317 176.117 -0.206 0.000 0.998 321 I CA -0.307 60.888 61.300 -0.174 0.000 1.267 321 I CB 1.023 38.826 38.000 -0.330 0.000 1.386 321 I HN 0.186 nan 8.210 nan 0.000 0.476 322 S N 4.987 120.525 115.700 -0.269 0.000 2.648 322 S HA 0.410 4.879 4.470 -0.001 0.000 0.305 322 S C 1.122 175.476 174.600 -0.409 0.000 1.094 322 S CA -0.694 57.200 58.200 -0.509 0.000 0.983 322 S CB 1.807 64.289 63.200 -1.197 0.000 1.101 322 S HN 0.525 nan 8.310 nan 0.000 0.514 323 N N 1.466 119.934 118.700 -0.386 0.000 2.223 323 N HA -0.086 4.653 4.740 -0.001 0.000 0.185 323 N C 0.239 175.535 175.510 -0.358 0.000 1.016 323 N CA 1.244 54.140 53.050 -0.257 0.000 0.863 323 N CB -0.067 38.290 38.487 -0.217 0.000 0.983 323 N HN 0.547 nan 8.380 nan 0.000 0.429 324 D N -0.641 119.391 120.400 -0.613 0.000 2.379 324 D HA 0.095 4.735 4.640 -0.001 0.000 0.208 324 D C -0.042 175.956 176.300 -0.504 0.000 1.065 324 D CA 0.156 53.750 54.000 -0.677 0.000 0.848 324 D CB 0.461 40.746 40.800 -0.859 0.000 0.949 324 D HN 0.236 nan 8.370 nan 0.000 0.509 325 F N -0.887 118.749 119.950 -0.524 0.000 2.678 325 F HA 0.503 5.029 4.527 -0.001 0.000 0.308 325 F C -1.741 173.759 175.800 -0.500 0.000 1.118 325 F CA -1.759 55.885 58.000 -0.593 0.000 0.959 325 F CB 0.447 39.313 39.000 -0.223 0.000 1.305 325 F HN -0.310 nan 8.300 nan 0.000 0.443 326 Y N 0.977 121.368 120.300 0.153 0.000 2.409 326 Y HA 0.700 5.249 4.550 -0.001 0.000 0.343 326 Y C -0.350 175.656 175.900 0.176 0.000 0.973 326 Y CA -1.008 57.133 58.100 0.068 0.000 1.064 326 Y CB 2.116 40.558 38.460 -0.030 0.000 1.207 326 Y HN 0.604 nan 8.280 nan 0.000 0.452 327 Q N 2.553 122.569 119.800 0.360 0.000 2.484 327 Q HA 0.824 5.163 4.340 -0.001 0.000 0.285 327 Q C -1.048 175.278 176.000 0.543 0.000 1.097 327 Q CA -1.003 55.089 55.803 0.482 0.000 0.802 327 Q CB 3.036 32.157 28.738 0.639 0.000 1.444 327 Q HN 0.925 nan 8.270 nan 0.000 0.429 328 C N -1.928 117.758 119.300 0.644 0.000 3.249 328 C HA 0.857 5.316 4.460 -0.001 0.000 0.350 328 C C -1.168 174.063 174.990 0.402 0.000 1.431 328 C CA -0.802 58.563 59.018 0.579 0.000 1.209 328 C CB 1.441 29.468 27.740 0.478 0.000 1.546 328 C HN 0.781 nan 8.230 nan 0.000 0.450 329 S N 0.081 115.934 115.700 0.255 0.000 2.571 329 S HA 0.742 5.211 4.470 -0.001 0.000 0.284 329 S C -1.578 173.182 174.600 0.267 0.000 1.128 329 S CA -0.198 58.016 58.200 0.023 0.000 0.970 329 S CB 1.057 63.991 63.200 -0.443 0.000 1.039 329 S HN 1.297 nan 8.310 nan 0.000 0.485 330 F N 5.134 125.157 119.950 0.121 0.000 2.426 330 F HA 0.654 5.180 4.527 -0.001 0.000 0.348 330 F C 0.003 175.755 175.800 -0.080 0.000 1.124 330 F CA -0.598 57.479 58.000 0.128 0.000 1.008 330 F CB 1.477 40.627 39.000 0.250 0.000 1.139 330 F HN 0.525 nan 8.300 nan 0.000 0.452 331 S N 4.166 119.437 115.700 -0.715 0.000 2.525 331 S HA 0.807 5.277 4.470 -0.001 0.000 0.290 331 S C -0.449 173.413 174.600 -1.231 0.000 1.152 331 S CA -0.510 57.088 58.200 -1.004 0.000 1.072 331 S CB 1.664 64.286 63.200 -0.962 0.000 1.027 331 S HN 0.812 nan 8.310 nan 0.000 0.500 332 S N 1.875 116.878 115.700 -1.162 0.000 2.625 332 S HA 0.605 5.074 4.470 -0.001 0.000 0.271 332 S C -0.907 173.413 174.600 -0.466 0.000 1.161 332 S CA -0.966 56.738 58.200 -0.827 0.000 0.820 332 S CB 0.666 63.415 63.200 -0.752 0.000 1.137 332 S HN 0.770 nan 8.310 nan 0.000 0.470 333 L N 3.007 124.119 121.223 -0.186 0.000 2.456 333 L HA 0.481 4.820 4.340 -0.001 0.000 0.257 333 L C -1.804 175.033 176.870 -0.056 0.000 1.162 333 L CA -1.996 52.798 54.840 -0.077 0.000 0.808 333 L CB 0.552 42.606 42.059 -0.008 0.000 1.136 333 L HN 0.558 nan 8.230 nan 0.000 0.466 334 P HA 0.209 nan 4.420 nan 0.000 0.274 334 P C -1.401 175.797 177.300 -0.170 0.000 1.237 334 P CA -0.026 62.922 63.100 -0.254 0.000 0.793 334 P CB 0.663 32.291 31.700 -0.121 0.000 0.977 335 F N -2.023 117.962 119.950 0.059 0.000 2.603 335 F HA 0.589 5.115 4.527 -0.001 0.000 0.317 335 F C 1.238 177.053 175.800 0.026 0.000 1.066 335 F CA -0.895 57.124 58.000 0.032 0.000 0.941 335 F CB 1.113 40.118 39.000 0.008 0.000 1.291 335 F HN 0.143 nan 8.300 nan 0.000 0.472 336 T N -1.057 113.644 114.554 0.245 0.000 2.975 336 T HA 0.181 4.531 4.350 -0.001 0.000 0.261 336 T C -0.022 174.756 174.700 0.131 0.000 0.984 336 T CA 0.439 62.629 62.100 0.150 0.000 0.911 336 T CB 0.075 68.998 68.868 0.091 0.000 1.127 336 T HN 0.654 nan 8.240 nan 0.000 0.514 337 T N 4.915 119.543 114.554 0.125 0.000 2.786 337 T HA 0.472 4.821 4.350 -0.001 0.000 0.283 337 T C -2.850 171.841 174.700 -0.015 0.000 0.992 337 T CA -1.261 60.865 62.100 0.043 0.000 0.954 337 T CB 1.896 70.759 68.868 -0.009 0.000 0.934 337 T HN 0.066 nan 8.240 nan 0.000 0.440 338 P HA 0.284 nan 4.420 nan 0.000 0.271 338 P C -2.921 174.255 177.300 -0.207 0.000 1.220 338 P CA -1.745 61.311 63.100 -0.074 0.000 0.768 338 P CB 0.129 31.880 31.700 0.084 0.000 0.848 339 P HA 0.223 nan 4.420 nan 0.000 0.280 339 P C -0.251 176.925 177.300 -0.208 0.000 1.300 339 P CA -0.286 62.561 63.100 -0.423 0.000 0.785 339 P CB -0.063 31.199 31.700 -0.730 0.000 0.874 340 F N 3.434 123.253 119.950 -0.219 0.000 2.608 340 F HA 0.254 4.780 4.527 -0.001 0.000 0.380 340 F C 1.681 177.415 175.800 -0.111 0.000 1.083 340 F CA 2.223 60.144 58.000 -0.131 0.000 1.266 340 F CB 0.016 38.945 39.000 -0.118 0.000 1.076 340 F HN 0.692 nan 8.300 nan 0.000 0.574 341 G N 4.709 113.180 108.800 -0.549 0.000 2.241 341 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.244 341 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.244 341 G C 0.910 175.854 174.900 0.074 0.000 0.998 341 G CA 0.398 45.389 45.100 -0.183 0.000 0.621 341 G HN 0.688 nan 8.290 nan 0.000 0.519 342 F N 0.901 120.708 119.950 -0.238 0.000 2.084 342 F HA 0.412 4.938 4.527 -0.001 0.000 0.296 342 F C 1.231 176.626 175.800 -0.675 0.000 1.111 342 F CA 1.352 59.115 58.000 -0.394 0.000 1.224 342 F CB -0.052 38.472 39.000 -0.794 0.000 0.991 342 F HN 0.142 nan 8.300 nan 0.000 0.471 343 F N 0.588 120.418 119.950 -0.200 0.000 2.432 343 F HA 0.293 4.820 4.527 -0.001 0.000 0.329 343 F C -1.070 174.554 175.800 -0.292 0.000 1.076 343 F CA -2.232 55.504 58.000 -0.442 0.000 1.018 343 F CB 0.652 39.222 39.000 -0.717 0.000 1.201 343 F HN -0.237 nan 8.300 nan 0.000 0.489 344 P HA -0.101 nan 4.420 nan 0.000 0.221 344 P C -0.199 177.072 177.300 -0.048 0.000 1.145 344 P CA 1.052 64.128 63.100 -0.040 0.000 0.795 344 P CB 0.190 31.896 31.700 0.011 0.000 0.775 345 S N -1.959 113.758 115.700 0.028 0.000 2.627 345 S HA 0.383 4.852 4.470 -0.001 0.000 0.283 345 S C 0.914 175.560 174.600 0.077 0.000 1.127 345 S CA -0.150 58.072 58.200 0.038 0.000 0.863 345 S CB 1.415 64.670 63.200 0.092 0.000 1.121 345 S HN 0.024 nan 8.310 nan 0.000 0.479 346 S N 0.236 115.985 115.700 0.082 0.000 2.481 346 S HA -0.006 4.463 4.470 -0.001 0.000 0.231 346 S C 1.010 175.696 174.600 0.143 0.000 0.996 346 S CA 0.523 58.799 58.200 0.126 0.000 0.942 346 S CB -0.739 62.555 63.200 0.157 0.000 0.768 346 S HN 1.309 nan 8.310 nan 0.000 0.520 347 S N 0.496 116.276 115.700 0.133 0.000 3.158 347 S HA 0.507 4.976 4.470 -0.001 0.000 0.215 347 S C -0.900 173.780 174.600 0.135 0.000 1.359 347 S CA -0.812 57.453 58.200 0.107 0.000 0.974 347 S CB -0.558 62.681 63.200 0.065 0.000 1.336 347 S HN 0.453 nan 8.310 nan 0.000 0.488 348 Y N 2.886 123.191 120.300 0.008 0.000 2.457 348 Y HA 0.539 5.089 4.550 -0.001 0.000 0.343 348 Y C -2.537 173.309 175.900 -0.090 0.000 0.994 348 Y CA -1.981 56.077 58.100 -0.070 0.000 1.031 348 Y CB 1.930 40.334 38.460 -0.093 0.000 1.246 348 Y HN 0.413 nan 8.280 nan 0.000 0.449 349 P HA 0.099 nan 4.420 nan 0.000 0.268 349 P C -1.276 176.005 177.300 -0.031 0.000 1.204 349 P CA 0.052 63.042 63.100 -0.183 0.000 0.768 349 P CB 1.113 32.636 31.700 -0.296 0.000 0.842 350 L N 5.594 126.842 121.223 0.040 0.000 2.325 350 L HA 0.451 4.790 4.340 -0.001 0.000 0.279 350 L C -1.797 175.039 176.870 -0.056 0.000 1.054 350 L CA -1.749 53.158 54.840 0.112 0.000 0.804 350 L CB 0.514 42.688 42.059 0.192 0.000 1.200 350 L HN 0.332 nan 8.230 nan 0.000 0.436 351 P HA 0.180 nan 4.420 nan 0.000 0.282 351 P C -0.729 176.444 177.300 -0.213 0.000 1.262 351 P CA -0.410 62.495 63.100 -0.325 0.000 0.773 351 P CB 0.724 31.989 31.700 -0.725 0.000 0.879 352 N N 0.622 119.256 118.700 -0.111 0.000 2.235 352 N HA 0.057 4.796 4.740 -0.001 0.000 0.209 352 N C -0.044 175.440 175.510 -0.044 0.000 1.122 352 N CA -0.385 52.629 53.050 -0.060 0.000 0.845 352 N CB 0.145 38.614 38.487 -0.030 0.000 1.004 352 N HN 0.343 nan 8.380 nan 0.000 0.499 353 S N -1.822 113.850 115.700 -0.048 0.000 2.671 353 S HA 0.538 5.008 4.470 -0.001 0.000 0.277 353 S C -0.360 174.248 174.600 0.015 0.000 1.165 353 S CA -0.760 57.433 58.200 -0.013 0.000 0.822 353 S CB 0.513 63.717 63.200 0.007 0.000 1.150 353 S HN 0.245 nan 8.310 nan 0.000 0.479 354 T N 0.087 114.644 114.554 0.005 0.000 2.926 354 T HA 0.535 4.884 4.350 -0.001 0.000 0.307 354 T C -0.222 174.513 174.700 0.059 0.000 1.059 354 T CA -0.331 61.754 62.100 -0.024 0.000 1.122 354 T CB -0.587 68.211 68.868 -0.117 0.000 0.972 354 T HN 1.223 nan 8.240 nan 0.000 0.545 355 F N -0.988 118.823 119.950 -0.231 0.000 2.685 355 F HA 0.824 5.350 4.527 -0.001 0.000 0.315 355 F C -1.048 174.594 175.800 -0.264 0.000 1.126 355 F CA -1.757 56.141 58.000 -0.171 0.000 0.950 355 F CB 1.074 40.044 39.000 -0.049 0.000 1.360 355 F HN 0.831 nan 8.300 nan 0.000 0.469 356 A N 1.089 123.798 122.820 -0.185 0.000 2.343 356 A HA 0.589 4.908 4.320 -0.001 0.000 0.316 356 A C -2.037 175.665 177.584 0.197 0.000 1.104 356 A CA -0.639 51.198 52.037 -0.333 0.000 0.768 356 A CB 0.519 19.252 19.000 -0.444 0.000 1.213 356 A HN 1.006 nan 8.150 nan 0.000 0.456 357 H N 1.939 121.057 119.070 0.081 0.000 2.661 357 H HA 0.574 5.129 4.556 -0.001 0.000 0.290 357 H C -1.645 173.814 175.328 0.217 0.000 1.082 357 H CA -0.610 55.664 56.048 0.377 0.000 1.234 357 H CB -0.019 30.089 29.762 0.577 0.000 1.387 357 H HN 0.438 nan 8.280 nan 0.000 0.476 358 F N 4.000 124.025 119.950 0.126 0.000 2.413 358 F HA 0.455 4.981 4.527 -0.001 0.000 0.359 358 F C 0.612 176.422 175.800 0.016 0.000 1.122 358 F CA -0.209 57.857 58.000 0.111 0.000 1.160 358 F CB 0.738 39.786 39.000 0.080 0.000 1.146 358 F HN 0.609 nan 8.300 nan 0.000 0.514 359 A N 2.605 125.554 122.820 0.216 0.000 2.325 359 A HA 0.730 5.049 4.320 -0.001 0.000 0.333 359 A C -0.438 177.383 177.584 0.394 0.000 1.155 359 A CA -0.588 51.591 52.037 0.236 0.000 0.814 359 A CB 1.413 20.533 19.000 0.200 0.000 1.206 359 A HN 0.539 nan 8.150 nan 0.000 0.482 360 S N 0.751 116.676 115.700 0.375 0.000 2.647 360 S HA 0.474 4.943 4.470 -0.001 0.000 0.300 360 S C -0.818 173.935 174.600 0.256 0.000 1.129 360 S CA -0.627 57.752 58.200 0.298 0.000 1.029 360 S CB 0.603 63.901 63.200 0.163 0.000 1.007 360 S HN 0.722 nan 8.310 nan 0.000 0.484 361 K N 4.563 125.004 120.400 0.068 0.000 2.235 361 K HA 0.552 4.872 4.320 -0.001 0.000 0.266 361 K C -0.874 175.635 176.600 -0.150 0.000 0.980 361 K CA -0.610 55.566 56.287 -0.184 0.000 0.849 361 K CB 1.109 33.111 32.500 -0.830 0.000 1.098 361 K HN 0.470 nan 8.250 nan 0.000 0.445 362 V N 3.822 123.719 119.914 -0.029 0.000 2.614 362 V HA 0.181 4.301 4.120 -0.001 0.000 0.291 362 V C 0.603 176.634 176.094 -0.106 0.000 1.049 362 V CA -0.416 61.887 62.300 0.006 0.000 1.038 362 V CB 0.934 32.868 31.823 0.185 0.000 0.980 362 V HN 0.990 nan 8.190 nan 0.000 0.481 363 A N 4.140 126.812 122.820 -0.246 0.000 2.448 363 A HA 0.614 4.933 4.320 -0.001 0.000 0.239 363 A C 1.295 178.900 177.584 0.035 0.000 1.080 363 A CA 0.727 52.652 52.037 -0.186 0.000 0.779 363 A CB -0.291 18.556 19.000 -0.255 0.000 1.026 363 A HN 2.027 nan 8.150 nan 0.000 0.499 364 G N 0.720 109.562 108.800 0.070 0.000 3.076 364 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.256 364 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.256 364 G C -2.608 172.547 174.900 0.425 0.000 1.589 364 G CA 0.057 45.243 45.100 0.143 0.000 1.044 364 G HN 1.046 nan 8.290 nan 0.000 0.563 365 P HA 0.550 nan 4.420 nan 0.000 0.283 365 P C 0.937 178.562 177.300 0.543 0.000 1.271 365 P CA -0.606 62.714 63.100 0.367 0.000 0.841 365 P CB 1.372 33.236 31.700 0.274 0.000 1.122 366 L N -0.390 121.055 121.223 0.369 0.000 2.240 366 L HA 0.006 4.346 4.340 -0.001 0.000 0.211 366 L C 1.300 178.435 176.870 0.441 0.000 1.106 366 L CA 0.942 56.045 54.840 0.439 0.000 0.793 366 L CB -0.499 41.697 42.059 0.229 0.000 0.927 366 L HN 0.345 nan 8.230 nan 0.000 0.446 367 S N -0.373 115.482 115.700 0.258 0.000 2.576 367 S HA 0.319 4.788 4.470 -0.001 0.000 0.276 367 S C -0.658 173.952 174.600 0.017 0.000 1.339 367 S CA -0.262 57.979 58.200 0.067 0.000 1.039 367 S CB 0.506 63.703 63.200 -0.005 0.000 0.902 367 S HN 0.249 nan 8.310 nan 0.000 0.516 368 Y N -1.282 118.911 120.300 -0.178 0.000 2.638 368 Y HA 0.834 5.384 4.550 -0.001 0.000 0.335 368 Y C -0.075 175.711 175.900 -0.189 0.000 1.155 368 Y CA -1.060 56.829 58.100 -0.352 0.000 1.046 368 Y CB 0.695 38.700 38.460 -0.759 0.000 1.303 368 Y HN 0.729 nan 8.280 nan 0.000 0.460 369 G N 0.308 109.126 108.800 0.031 0.000 3.183 369 G HA2 0.685 4.645 3.960 -0.001 0.000 0.247 369 G HA3 0.685 4.645 3.960 -0.001 0.000 0.247 369 G C -1.308 173.569 174.900 -0.039 0.000 1.211 369 G CA -0.573 44.482 45.100 -0.075 0.000 0.835 369 G HN 1.365 nan 8.290 nan 0.000 0.604 370 S N -1.743 113.867 115.700 -0.149 0.000 2.651 370 S HA 0.748 5.217 4.470 -0.001 0.000 0.279 370 S C -1.352 173.123 174.600 -0.209 0.000 1.148 370 S CA -0.690 57.413 58.200 -0.162 0.000 0.837 370 S CB 1.721 64.813 63.200 -0.180 0.000 1.138 370 S HN 1.102 nan 8.310 nan 0.000 0.478 371 L N 1.837 122.947 121.223 -0.190 0.000 2.341 371 L HA 0.831 5.170 4.340 -0.001 0.000 0.278 371 L C -0.684 176.067 176.870 -0.199 0.000 1.005 371 L CA -0.090 54.636 54.840 -0.189 0.000 0.818 371 L CB 1.914 43.885 42.059 -0.147 0.000 1.259 371 L HN 1.142 nan 8.230 nan 0.000 0.418 372 T N 1.910 116.368 114.554 -0.160 0.000 2.906 372 T HA 0.532 4.881 4.350 -0.001 0.000 0.295 372 T C -0.299 174.403 174.700 0.003 0.000 1.075 372 T CA -0.910 61.118 62.100 -0.120 0.000 1.005 372 T CB 1.388 70.200 68.868 -0.094 0.000 1.136 372 T HN 0.484 nan 8.240 nan 0.000 0.498 373 L N 1.978 123.286 121.223 0.142 0.000 2.417 373 L HA 0.404 4.744 4.340 -0.001 0.000 0.268 373 L C 1.367 178.278 176.870 0.068 0.000 1.158 373 L CA -0.769 54.133 54.840 0.103 0.000 0.819 373 L CB 0.530 42.672 42.059 0.137 0.000 1.112 373 L HN 0.646 nan 8.230 nan 0.000 0.458 374 K N 0.320 120.737 120.400 0.029 0.000 2.367 374 K HA 0.174 4.494 4.320 -0.001 0.000 0.195 374 K C 0.092 176.700 176.600 0.013 0.000 1.060 374 K CA 0.294 56.592 56.287 0.017 0.000 1.022 374 K CB 0.812 33.316 32.500 0.006 0.000 0.894 374 K HN 0.529 nan 8.250 nan 0.000 0.540 375 S N 0.004 115.712 115.700 0.013 0.000 2.571 375 S HA 0.194 4.664 4.470 -0.001 0.000 0.284 375 S C 0.452 175.055 174.600 0.006 0.000 1.128 375 S CA -0.472 57.731 58.200 0.006 0.000 0.970 375 S CB 1.389 64.592 63.200 0.006 0.000 1.039 375 S HN 0.152 nan 8.310 nan 0.000 0.485 376 S N 2.629 118.323 115.700 -0.009 0.000 2.603 376 S HA 0.080 4.550 4.470 -0.001 0.000 0.220 376 S C 1.112 175.708 174.600 -0.007 0.000 0.967 376 S CA 0.712 58.900 58.200 -0.020 0.000 0.920 376 S CB -0.232 62.938 63.200 -0.051 0.000 0.773 376 S HN 0.950 nan 8.310 nan 0.000 0.529 377 S N -0.285 115.415 115.700 0.001 0.000 2.692 377 S HA 0.280 4.750 4.470 -0.001 0.000 0.269 377 S C 0.045 174.651 174.600 0.011 0.000 1.080 377 S CA -0.445 57.758 58.200 0.006 0.000 1.058 377 S CB -0.445 62.756 63.200 0.002 0.000 0.982 377 S HN 0.319 nan 8.310 nan 0.000 0.534 378 N N 2.147 120.853 118.700 0.010 0.000 2.462 378 N HA 0.302 5.042 4.740 -0.001 0.000 0.242 378 N C 0.562 176.081 175.510 0.014 0.000 1.010 378 N CA -0.097 52.960 53.050 0.013 0.000 0.939 378 N CB 1.606 40.099 38.487 0.010 0.000 1.127 378 N HN 0.116 nan 8.380 nan 0.000 0.509 379 V N 4.857 124.782 119.914 0.018 0.000 3.078 379 V HA -0.016 4.103 4.120 -0.001 0.000 0.265 379 V C 1.735 177.837 176.094 0.014 0.000 1.122 379 V CA 1.487 63.798 62.300 0.017 0.000 1.141 379 V CB -0.306 31.531 31.823 0.024 0.000 0.735 379 V HN 0.574 nan 8.190 nan 0.000 0.498 380 R N -0.898 119.611 120.500 0.016 0.000 2.310 380 R HA 0.164 4.504 4.340 -0.001 0.000 0.202 380 R C 0.280 176.585 176.300 0.008 0.000 0.933 380 R CA -0.008 56.101 56.100 0.015 0.000 1.054 380 R CB 0.412 30.724 30.300 0.020 0.000 0.985 380 R HN 0.359 nan 8.270 nan 0.000 0.489 381 V N 1.923 121.840 119.914 0.005 0.000 2.385 381 V HA 0.090 4.209 4.120 -0.001 0.000 0.269 381 V C 0.192 176.281 176.094 -0.009 0.000 1.043 381 V CA -0.333 61.968 62.300 0.001 0.000 0.906 381 V CB 1.492 33.317 31.823 0.004 0.000 0.995 381 V HN 0.167 nan 8.190 nan 0.000 0.467 382 S N 7.954 123.646 115.700 -0.013 0.000 2.558 382 S HA 0.137 4.607 4.470 -0.001 0.000 0.293 382 S C -2.088 172.480 174.600 -0.055 0.000 1.292 382 S CA -0.398 57.777 58.200 -0.043 0.000 1.063 382 S CB 0.326 63.511 63.200 -0.025 0.000 0.831 382 S HN 0.599 nan 8.310 nan 0.000 0.499 383 P HA 0.224 nan 4.420 nan 0.000 0.274 383 P C -0.428 176.807 177.300 -0.109 0.000 1.246 383 P CA -0.608 62.439 63.100 -0.089 0.000 0.795 383 P CB 0.496 32.130 31.700 -0.111 0.000 1.006 384 N N 0.123 118.771 118.700 -0.087 0.000 2.499 384 N HA 0.392 5.132 4.740 -0.001 0.000 0.281 384 N C -0.964 174.444 175.510 -0.169 0.000 1.098 384 N CA -0.197 52.797 53.050 -0.092 0.000 0.979 384 N CB 0.650 39.102 38.487 -0.058 0.000 1.121 384 N HN 0.136 nan 8.380 nan 0.000 0.466 385 V N -0.957 118.827 119.914 -0.217 0.000 2.760 385 V HA 0.634 4.753 4.120 -0.001 0.000 0.309 385 V C -0.511 175.290 176.094 -0.489 0.000 1.077 385 V CA -0.947 61.114 62.300 -0.399 0.000 0.910 385 V CB 2.093 33.592 31.823 -0.540 0.000 1.008 385 V HN 0.532 nan 8.190 nan 0.000 0.424 386 K N 2.662 122.721 120.400 -0.567 0.000 2.427 386 K HA 0.654 4.973 4.320 -0.001 0.000 0.252 386 K C -0.939 175.305 176.600 -0.594 0.000 0.931 386 K CA -0.736 55.268 56.287 -0.472 0.000 0.793 386 K CB 2.175 34.535 32.500 -0.233 0.000 1.211 386 K HN 0.691 nan 8.250 nan 0.000 0.426 387 F N 1.129 120.931 119.950 -0.248 0.000 2.717 387 F HA 0.167 4.694 4.527 -0.001 0.000 0.297 387 F C 0.322 175.846 175.800 -0.460 0.000 1.113 387 F CA -0.677 57.073 58.000 -0.417 0.000 1.319 387 F CB 0.510 39.079 39.000 -0.719 0.000 1.097 387 F HN 0.579 nan 8.300 nan 0.000 0.595 388 N N 0.820 119.394 118.700 -0.210 0.000 2.727 388 N HA -0.251 4.488 4.740 -0.001 0.000 0.251 388 N C -0.986 174.452 175.510 -0.120 0.000 1.040 388 N CA 0.465 53.434 53.050 -0.135 0.000 0.712 388 N CB -1.969 36.421 38.487 -0.162 0.000 0.912 388 N HN 0.343 nan 8.380 nan 0.000 0.545 389 Y N -0.213 120.086 120.300 -0.003 0.000 2.810 389 Y HA -0.120 4.430 4.550 -0.001 0.000 0.332 389 Y C 1.396 177.235 175.900 -0.101 0.000 1.243 389 Y CA 0.669 58.666 58.100 -0.171 0.000 1.537 389 Y CB -0.048 38.286 38.460 -0.209 0.000 1.265 389 Y HN 0.273 nan 8.280 nan 0.000 0.572 390 Y N -0.375 120.036 120.300 0.185 0.000 4.409 390 Y HA -0.394 4.156 4.550 -0.001 0.000 0.228 390 Y C 1.865 177.796 175.900 0.053 0.000 1.108 390 Y CA 0.368 58.530 58.100 0.103 0.000 1.955 390 Y CB -1.753 36.764 38.460 0.096 0.000 1.615 390 Y HN 0.728 nan 8.280 nan 0.000 0.665 391 S N -0.792 114.978 115.700 0.117 0.000 2.406 391 S HA -0.101 4.369 4.470 -0.001 0.000 0.228 391 S C 0.694 175.321 174.600 0.045 0.000 1.020 391 S CA 0.801 59.029 58.200 0.048 0.000 0.965 391 S CB 0.045 63.220 63.200 -0.042 0.000 0.798 391 S HN 0.512 nan 8.310 nan 0.000 0.488 392 N N 1.323 120.062 118.700 0.064 0.000 2.426 392 N HA 0.261 5.001 4.740 -0.001 0.000 0.257 392 N C 0.623 176.184 175.510 0.084 0.000 1.002 392 N CA -0.209 52.879 53.050 0.064 0.000 0.942 392 N CB 1.026 39.561 38.487 0.080 0.000 1.112 392 N HN 0.272 nan 8.380 nan 0.000 0.499 393 L N 2.379 123.631 121.223 0.049 0.000 2.265 393 L HA -0.138 4.201 4.340 -0.001 0.000 0.215 393 L C 1.919 178.774 176.870 -0.024 0.000 1.117 393 L CA 0.939 55.795 54.840 0.027 0.000 0.782 393 L CB -0.315 41.749 42.059 0.008 0.000 0.914 393 L HN 0.528 nan 8.230 nan 0.000 0.441 394 T N -1.120 113.398 114.554 -0.060 0.000 2.867 394 T HA -0.148 4.202 4.350 -0.001 0.000 0.268 394 T C 1.398 175.888 174.700 -0.350 0.000 1.057 394 T CA 1.188 63.154 62.100 -0.224 0.000 1.136 394 T CB -0.147 68.609 68.868 -0.186 0.000 0.874 394 T HN 0.318 nan 8.240 nan 0.000 0.466 395 D N 0.969 121.337 120.400 -0.054 0.000 2.117 395 D HA -0.031 4.608 4.640 -0.001 0.000 0.197 395 D C 1.997 178.450 176.300 0.255 0.000 0.987 395 D CA 0.541 54.624 54.000 0.138 0.000 0.829 395 D CB -0.394 40.566 40.800 0.267 0.000 0.961 395 D HN 0.190 nan 8.370 nan 0.000 0.460 396 L N 0.580 121.912 121.223 0.182 0.000 2.046 396 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 396 L C 2.287 179.116 176.870 -0.068 0.000 1.077 396 L CA 1.510 56.298 54.840 -0.087 0.000 0.747 396 L CB -0.877 41.103 42.059 -0.131 0.000 0.896 396 L HN -0.096 nan 8.230 nan 0.000 0.432 397 S N -1.420 114.243 115.700 -0.063 0.000 2.370 397 S HA -0.258 4.212 4.470 -0.001 0.000 0.226 397 S C 1.993 176.647 174.600 0.091 0.000 1.033 397 S CA 1.628 59.809 58.200 -0.031 0.000 1.011 397 S CB -0.509 62.645 63.200 -0.077 0.000 0.852 397 S HN 0.747 nan 8.310 nan 0.000 0.457 398 H N -1.001 118.119 119.070 0.082 0.000 2.423 398 H HA -0.059 4.496 4.556 -0.001 0.000 0.297 398 H C 2.649 178.029 175.328 0.086 0.000 1.075 398 H CA 1.037 57.165 56.048 0.133 0.000 1.342 398 H CB -0.214 29.635 29.762 0.146 0.000 1.395 398 H HN 0.549 nan 8.280 nan 0.000 0.530 399 c N 0.485 119.197 118.600 0.188 0.000 2.446 399 c HA -0.091 4.478 4.570 -0.001 0.000 0.277 399 c C 2.723 176.815 174.090 0.004 0.000 1.275 399 c CA 0.544 56.932 56.329 0.097 0.000 1.727 399 c CB -1.057 41.486 42.510 0.055 0.000 2.010 399 c HN 0.326 nan 8.230 nan 0.000 0.486 400 V N 1.122 121.036 119.914 0.001 0.000 2.261 400 V HA -0.184 3.936 4.120 -0.001 0.000 0.246 400 V C 2.755 178.760 176.094 -0.148 0.000 1.047 400 V CA 2.625 64.920 62.300 -0.009 0.000 1.015 400 V CB -0.969 30.835 31.823 -0.031 0.000 0.642 400 V HN 0.635 nan 8.190 nan 0.000 0.446 401 S N 0.476 116.105 115.700 -0.119 0.000 2.370 401 S HA -0.152 4.317 4.470 -0.001 0.000 0.226 401 S C 2.058 176.331 174.600 -0.546 0.000 1.033 401 S CA 1.422 59.529 58.200 -0.154 0.000 1.011 401 S CB -0.771 62.518 63.200 0.148 0.000 0.852 401 S HN 0.710 nan 8.310 nan 0.000 0.457 402 G N 1.655 109.887 108.800 -0.947 0.000 2.421 402 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.216 402 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.216 402 G C 1.286 175.820 174.900 -0.610 0.000 1.171 402 G CA 0.886 45.034 45.100 -1.586 0.000 0.775 402 G HN 0.321 nan 8.290 nan 0.000 0.543 403 M N 0.436 119.886 119.600 -0.248 0.000 2.319 403 M HA 0.123 4.602 4.480 -0.001 0.000 0.265 403 M C 2.247 178.549 176.300 0.003 0.000 1.068 403 M CA 0.732 56.008 55.300 -0.040 0.000 1.118 403 M CB -0.686 31.982 32.600 0.113 0.000 1.395 403 M HN 0.213 nan 8.290 nan 0.000 0.435 404 K N -0.069 120.231 120.400 -0.167 0.000 2.097 404 K HA -0.161 4.158 4.320 -0.001 0.000 0.205 404 K C 2.050 178.566 176.600 -0.139 0.000 1.050 404 K CA 0.940 57.074 56.287 -0.255 0.000 0.938 404 K CB -0.026 32.209 32.500 -0.441 0.000 0.718 404 K HN -0.003 nan 8.250 nan 0.000 0.442 405 K N 1.423 121.731 120.400 -0.154 0.000 2.097 405 K HA -0.063 4.256 4.320 -0.001 0.000 0.205 405 K C 1.756 178.342 176.600 -0.024 0.000 1.050 405 K CA 1.027 57.293 56.287 -0.035 0.000 0.938 405 K CB -0.112 32.430 32.500 0.069 0.000 0.718 405 K HN -0.031 nan 8.250 nan 0.000 0.442 406 I N 0.604 121.138 120.570 -0.060 0.000 2.286 406 I HA -0.122 4.048 4.170 -0.001 0.000 0.248 406 I C 2.207 178.230 176.117 -0.156 0.000 1.115 406 I CA 1.647 62.892 61.300 -0.091 0.000 1.392 406 I CB -1.640 36.322 38.000 -0.063 0.000 1.065 406 I HN 0.360 nan 8.210 nan 0.000 0.418 407 G N 0.411 109.155 108.800 -0.093 0.000 2.442 407 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.219 407 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.219 407 G C 1.591 176.451 174.900 -0.066 0.000 1.141 407 G CA 0.426 45.485 45.100 -0.069 0.000 0.763 407 G HN 0.427 nan 8.290 nan 0.000 0.554 408 E N -0.302 119.863 120.200 -0.058 0.000 2.077 408 E HA -0.086 4.263 4.350 -0.001 0.000 0.193 408 E C 2.542 179.107 176.600 -0.059 0.000 0.989 408 E CA 0.603 56.980 56.400 -0.038 0.000 0.800 408 E CB -0.158 29.532 29.700 -0.017 0.000 0.746 408 E HN 0.283 nan 8.360 nan 0.000 0.452 409 L N 0.656 121.808 121.223 -0.118 0.000 2.042 409 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 409 L C 2.270 179.016 176.870 -0.206 0.000 1.076 409 L CA 1.435 56.154 54.840 -0.200 0.000 0.749 409 L CB -0.448 41.393 42.059 -0.362 0.000 0.893 409 L HN 0.154 nan 8.230 nan 0.000 0.432 410 L N -1.616 119.456 121.223 -0.251 0.000 2.362 410 L HA -0.129 4.210 4.340 -0.001 0.000 0.219 410 L C 1.792 178.752 176.870 0.150 0.000 1.134 410 L CA 0.678 55.425 54.840 -0.154 0.000 0.807 410 L CB -0.416 41.478 42.059 -0.276 0.000 0.927 410 L HN 0.190 nan 8.230 nan 0.000 0.447 411 S N -1.470 114.266 115.700 0.060 0.000 2.556 411 S HA 0.030 4.499 4.470 -0.001 0.000 0.216 411 S C 0.912 175.548 174.600 0.060 0.000 0.970 411 S CA -0.043 58.203 58.200 0.077 0.000 0.912 411 S CB -0.087 63.137 63.200 0.040 0.000 0.790 411 S HN 0.532 nan 8.310 nan 0.000 0.504 412 T N 0.300 114.887 114.554 0.055 0.000 2.868 412 T HA 0.227 4.576 4.350 -0.001 0.000 0.292 412 T C 0.487 175.229 174.700 0.071 0.000 1.028 412 T CA -0.489 61.641 62.100 0.049 0.000 1.059 412 T CB 0.587 69.474 68.868 0.031 0.000 0.991 412 T HN -0.157 nan 8.240 nan 0.000 0.531 413 D N 1.083 121.517 120.400 0.057 0.000 2.178 413 D HA -0.026 4.614 4.640 -0.001 0.000 0.201 413 D C 2.335 178.685 176.300 0.083 0.000 0.980 413 D CA 1.540 55.573 54.000 0.055 0.000 0.842 413 D CB -0.776 40.048 40.800 0.041 0.000 0.948 413 D HN 0.755 nan 8.370 nan 0.000 0.472 414 A N 0.469 123.342 122.820 0.089 0.000 1.940 414 A HA -0.126 4.194 4.320 -0.001 0.000 0.219 414 A C 2.142 179.868 177.584 0.237 0.000 1.176 414 A CA 1.005 53.114 52.037 0.120 0.000 0.631 414 A CB -0.565 18.471 19.000 0.060 0.000 0.814 414 A HN 0.267 nan 8.150 nan 0.000 0.446 415 L N -1.405 119.970 121.223 0.253 0.000 2.607 415 L HA 0.035 4.374 4.340 -0.001 0.000 0.228 415 L C 1.957 179.102 176.870 0.458 0.000 1.123 415 L CA 0.181 55.308 54.840 0.479 0.000 0.890 415 L CB -0.242 42.050 42.059 0.389 0.000 1.103 415 L HN 0.365 nan 8.230 nan 0.000 0.468 416 K N 0.946 121.471 120.400 0.207 0.000 2.074 416 K HA -0.171 4.149 4.320 -0.001 0.000 0.209 416 K C -0.559 176.015 176.600 -0.043 0.000 1.048 416 K CA 1.390 57.701 56.287 0.039 0.000 0.926 416 K CB -1.061 31.442 32.500 0.005 0.000 0.713 416 K HN 0.259 nan 8.250 nan 0.000 0.444 417 P HA -0.134 nan 4.420 nan 0.000 0.228 417 P C 0.129 177.128 177.300 -0.502 0.000 1.151 417 P CA 1.119 64.013 63.100 -0.343 0.000 0.770 417 P CB 0.014 31.425 31.700 -0.482 0.000 0.786 418 Y N -1.333 119.067 120.300 0.167 0.000 2.485 418 Y HA 0.219 4.769 4.550 -0.001 0.000 0.260 418 Y C 1.000 176.986 175.900 0.143 0.000 1.173 418 Y CA -0.315 57.937 58.100 0.253 0.000 1.252 418 Y CB -0.080 38.674 38.460 0.489 0.000 1.123 418 Y HN -0.194 nan 8.280 nan 0.000 0.524 419 K N -0.180 120.137 120.400 -0.138 0.000 2.098 419 K HA 0.292 4.611 4.320 -0.001 0.000 0.257 419 K C 0.655 177.158 176.600 -0.162 0.000 0.999 419 K CA -0.268 55.746 56.287 -0.455 0.000 0.924 419 K CB 1.980 34.063 32.500 -0.696 0.000 1.028 419 K HN -0.107 nan 8.250 nan 0.000 0.466 420 V N 0.977 120.822 119.914 -0.115 0.000 2.825 420 V HA -0.032 4.087 4.120 -0.001 0.000 0.246 420 V C 0.158 176.211 176.094 -0.069 0.000 1.068 420 V CA 1.190 63.463 62.300 -0.046 0.000 1.088 420 V CB -0.131 31.694 31.823 0.003 0.000 0.733 420 V HN 0.706 nan 8.190 nan 0.000 0.468 421 E N 0.017 120.156 120.200 -0.102 0.000 2.293 421 E HA 0.233 4.582 4.350 -0.001 0.000 0.270 421 E C -1.200 175.329 176.600 -0.119 0.000 0.879 421 E CA -0.616 55.732 56.400 -0.086 0.000 0.756 421 E CB 1.908 31.573 29.700 -0.057 0.000 1.208 421 E HN -0.032 nan 8.360 nan 0.000 0.428 422 D N 3.834 124.179 120.400 -0.092 0.000 2.545 422 D HA 0.124 4.764 4.640 -0.001 0.000 0.227 422 D C -0.831 175.426 176.300 -0.072 0.000 1.150 422 D CA 0.233 54.178 54.000 -0.092 0.000 1.046 422 D CB -0.276 40.484 40.800 -0.066 0.000 1.098 422 D HN 0.331 nan 8.370 nan 0.000 0.502 423 L N 3.319 124.491 121.223 -0.084 0.000 2.334 423 L HA 0.522 4.862 4.340 -0.001 0.000 0.270 423 L C -1.850 174.997 176.870 -0.040 0.000 1.018 423 L CA -2.032 52.777 54.840 -0.052 0.000 0.811 423 L CB 1.900 43.934 42.059 -0.042 0.000 1.271 423 L HN 0.140 nan 8.230 nan 0.000 0.443 424 P HA 0.131 nan 4.420 nan 0.000 0.272 424 P C 0.347 177.653 177.300 0.010 0.000 1.223 424 P CA 0.483 63.579 63.100 -0.006 0.000 0.784 424 P CB 1.021 32.718 31.700 -0.003 0.000 0.923 425 G N 1.649 110.460 108.800 0.019 0.000 2.583 425 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.292 425 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.292 425 G C 0.845 175.788 174.900 0.073 0.000 1.203 425 G CA 0.776 45.897 45.100 0.036 0.000 0.987 425 G HN 0.667 nan 8.290 nan 0.000 0.554 426 V N -0.874 119.090 119.914 0.084 0.000 3.623 426 V HA 0.414 4.533 4.120 -0.001 0.000 0.271 426 V C 0.872 177.095 176.094 0.214 0.000 1.248 426 V CA 1.639 64.028 62.300 0.149 0.000 1.156 426 V CB -0.571 31.286 31.823 0.057 0.000 0.870 426 V HN 0.590 nan 8.190 nan 0.000 0.453 427 E N 0.731 121.001 120.200 0.115 0.000 2.349 427 E HA 0.579 4.929 4.350 -0.001 0.000 0.262 427 E C 1.091 177.701 176.600 0.016 0.000 1.088 427 E CA 0.161 56.613 56.400 0.086 0.000 0.899 427 E CB 1.145 30.864 29.700 0.032 0.000 1.044 427 E HN 0.375 nan 8.360 nan 0.000 0.420 428 G N 1.147 109.946 108.800 -0.003 0.000 2.231 428 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.206 428 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.206 428 G C -0.186 174.612 174.900 -0.170 0.000 0.996 428 G CA -0.660 44.361 45.100 -0.132 0.000 0.645 428 G HN 0.368 nan 8.290 nan 0.000 0.498 429 F N 1.336 121.312 119.950 0.043 0.000 2.371 429 F HA 0.464 4.991 4.527 -0.001 0.000 0.329 429 F C 0.874 176.712 175.800 0.062 0.000 1.107 429 F CA -0.532 57.510 58.000 0.070 0.000 1.137 429 F CB 0.958 40.010 39.000 0.088 0.000 1.214 429 F HN 0.068 nan 8.300 nan 0.000 0.536 430 N N 2.736 121.610 118.700 0.289 0.000 2.437 430 N HA 0.229 4.969 4.740 -0.001 0.000 0.243 430 N C -1.194 174.434 175.510 0.196 0.000 1.041 430 N CA -0.422 52.735 53.050 0.178 0.000 0.940 430 N CB 0.316 38.885 38.487 0.137 0.000 1.133 430 N HN 0.299 nan 8.380 nan 0.000 0.506 431 I N 3.664 124.326 120.570 0.153 0.000 2.385 431 I HA 0.216 4.386 4.170 -0.001 0.000 0.294 431 I C 0.016 176.188 176.117 0.092 0.000 0.988 431 I CA -0.778 60.606 61.300 0.140 0.000 1.265 431 I CB 1.224 39.293 38.000 0.116 0.000 1.388 431 I HN 0.515 nan 8.210 nan 0.000 0.480 432 L N 6.537 127.830 121.223 0.117 0.000 2.262 432 L HA 0.734 5.074 4.340 -0.001 0.000 0.288 432 L C 0.288 177.194 176.870 0.060 0.000 1.035 432 L CA 0.701 55.564 54.840 0.038 0.000 0.820 432 L CB 0.571 42.642 42.059 0.020 0.000 1.204 432 L HN 0.907 nan 8.230 nan 0.000 0.424 433 G N 4.243 112.974 108.800 -0.116 0.000 2.512 433 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.210 433 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.210 433 G C -0.404 174.481 174.900 -0.025 0.000 1.295 433 G CA -0.408 44.586 45.100 -0.177 0.000 0.934 433 G HN 0.700 nan 8.290 nan 0.000 0.554 434 I N 3.684 124.274 120.570 0.034 0.000 2.452 434 I HA 0.273 4.443 4.170 -0.001 0.000 0.287 434 I C -1.194 175.035 176.117 0.188 0.000 1.079 434 I CA -1.244 60.093 61.300 0.060 0.000 1.387 434 I CB 0.955 38.943 38.000 -0.020 0.000 1.404 434 I HN 0.381 nan 8.210 nan 0.000 0.522 435 P HA 0.278 nan 4.420 nan 0.000 0.278 435 P C -0.551 176.695 177.300 -0.090 0.000 1.258 435 P CA -0.576 62.549 63.100 0.043 0.000 0.811 435 P CB 1.262 32.967 31.700 0.009 0.000 1.063 436 L N 1.516 122.543 121.223 -0.327 0.000 2.464 436 L HA 0.255 4.595 4.340 -0.001 0.000 0.264 436 L C -1.830 174.746 176.870 -0.490 0.000 1.199 436 L CA -1.770 52.641 54.840 -0.715 0.000 0.818 436 L CB -0.365 41.330 42.059 -0.608 0.000 1.102 436 L HN 0.257 nan 8.230 nan 0.000 0.473 437 P HA 0.083 nan 4.420 nan 0.000 0.271 437 P C -0.180 177.003 177.300 -0.196 0.000 1.216 437 P CA -0.154 62.720 63.100 -0.376 0.000 0.776 437 P CB 0.627 32.047 31.700 -0.467 0.000 0.881 438 K N 0.797 121.146 120.400 -0.084 0.000 2.057 438 K HA -0.122 4.197 4.320 -0.001 0.000 0.207 438 K C 0.768 177.384 176.600 0.027 0.000 1.049 438 K CA 1.083 57.357 56.287 -0.023 0.000 0.931 438 K CB -0.233 32.260 32.500 -0.011 0.000 0.714 438 K HN 0.523 nan 8.250 nan 0.000 0.440 439 D N 1.342 121.769 120.400 0.046 0.000 2.344 439 D HA -0.031 4.609 4.640 -0.001 0.000 0.253 439 D C 0.547 176.959 176.300 0.186 0.000 1.255 439 D CA 0.164 54.212 54.000 0.081 0.000 0.894 439 D CB 0.879 41.716 40.800 0.061 0.000 1.067 439 D HN -0.001 nan 8.370 nan 0.000 0.492 440 Q N 1.961 121.842 119.800 0.134 0.000 2.515 440 Q HA -0.044 4.296 4.340 -0.001 0.000 0.212 440 Q C 1.414 177.358 176.000 -0.093 0.000 0.970 440 Q CA 0.685 56.544 55.803 0.094 0.000 0.941 440 Q CB -0.067 28.676 28.738 0.008 0.000 0.998 440 Q HN 0.628 nan 8.270 nan 0.000 0.518 441 T N -3.802 110.740 114.554 -0.020 0.000 3.054 441 T HA 0.058 4.408 4.350 -0.001 0.000 0.255 441 T C 0.367 175.056 174.700 -0.018 0.000 1.035 441 T CA -0.388 61.674 62.100 -0.063 0.000 0.941 441 T CB 0.247 69.093 68.868 -0.036 0.000 1.026 441 T HN -0.157 nan 8.240 nan 0.000 0.533 442 D N 2.119 122.566 120.400 0.079 0.000 2.517 442 D HA 0.175 4.815 4.640 -0.001 0.000 0.220 442 D C 0.198 176.609 176.300 0.185 0.000 1.158 442 D CA -0.267 53.804 54.000 0.119 0.000 0.992 442 D CB 0.450 41.330 40.800 0.133 0.000 1.058 442 D HN 0.095 nan 8.370 nan 0.000 0.516 443 D N 2.098 122.535 120.400 0.062 0.000 2.116 443 D HA -0.192 4.448 4.640 -0.001 0.000 0.193 443 D C 1.930 178.296 176.300 0.109 0.000 0.998 443 D CA 1.568 55.598 54.000 0.051 0.000 0.836 443 D CB -0.059 40.734 40.800 -0.012 0.000 0.951 443 D HN 0.504 nan 8.370 nan 0.000 0.449 444 A N 0.755 123.618 122.820 0.072 0.000 1.908 444 A HA -0.094 4.225 4.320 -0.001 0.000 0.218 444 A C 2.289 179.914 177.584 0.069 0.000 1.181 444 A CA 2.400 54.469 52.037 0.054 0.000 0.627 444 A CB -0.830 18.189 19.000 0.032 0.000 0.818 444 A HN 0.253 nan 8.150 nan 0.000 0.445 445 A N -1.482 121.393 122.820 0.092 0.000 1.930 445 A HA 0.038 4.358 4.320 -0.001 0.000 0.217 445 A C 1.924 179.523 177.584 0.025 0.000 1.175 445 A CA 1.414 53.477 52.037 0.043 0.000 0.627 445 A CB -0.674 18.335 19.000 0.014 0.000 0.815 445 A HN 0.453 nan 8.150 nan 0.000 0.443 446 F N 0.289 120.226 119.950 -0.021 0.000 2.234 446 F HA -0.073 4.454 4.527 -0.001 0.000 0.299 446 F C 2.417 178.226 175.800 0.015 0.000 1.087 446 F CA 1.600 59.591 58.000 -0.015 0.000 1.340 446 F CB -0.221 38.734 39.000 -0.075 0.000 1.031 446 F HN 0.315 nan 8.300 nan 0.000 0.500 447 E N -0.630 119.649 120.200 0.132 0.000 2.077 447 E HA -0.168 4.182 4.350 -0.001 0.000 0.193 447 E C 2.137 178.719 176.600 -0.030 0.000 0.989 447 E CA 1.763 58.167 56.400 0.006 0.000 0.800 447 E CB -0.302 29.391 29.700 -0.011 0.000 0.746 447 E HN 0.289 nan 8.360 nan 0.000 0.452 448 T N 0.963 115.518 114.554 0.002 0.000 2.746 448 T HA -0.164 4.186 4.350 -0.001 0.000 0.267 448 T C 1.480 176.157 174.700 -0.040 0.000 1.039 448 T CA 1.047 63.135 62.100 -0.021 0.000 1.142 448 T CB -0.367 68.496 68.868 -0.009 0.000 0.866 448 T HN 0.187 nan 8.240 nan 0.000 0.444 449 F N 1.354 121.210 119.950 -0.158 0.000 2.095 449 F HA -0.187 4.339 4.527 -0.001 0.000 0.298 449 F C 2.479 178.174 175.800 -0.174 0.000 1.104 449 F CA 0.881 58.763 58.000 -0.198 0.000 1.232 449 F CB -0.779 38.033 39.000 -0.312 0.000 0.987 449 F HN 0.151 nan 8.300 nan 0.000 0.475 450 c N 1.047 119.609 118.600 -0.064 0.000 2.413 450 c HA -0.177 4.392 4.570 -0.001 0.000 0.276 450 c C 2.851 176.797 174.090 -0.239 0.000 1.236 450 c CA 1.450 57.659 56.329 -0.199 0.000 1.735 450 c CB -1.310 41.020 42.510 -0.299 0.000 2.031 450 c HN 0.475 nan 8.230 nan 0.000 0.474 451 R N 0.487 120.865 120.500 -0.203 0.000 2.073 451 R HA -0.076 4.264 4.340 -0.001 0.000 0.229 451 R C 2.005 178.262 176.300 -0.071 0.000 1.120 451 R CA 1.186 57.254 56.100 -0.053 0.000 0.967 451 R CB -0.289 29.991 30.300 -0.034 0.000 0.862 451 R HN 0.666 nan 8.270 nan 0.000 0.436 452 E N 0.096 120.202 120.200 -0.156 0.000 2.435 452 E HA -0.049 4.301 4.350 -0.001 0.000 0.195 452 E C 1.242 177.701 176.600 -0.234 0.000 1.029 452 E CA 1.062 57.367 56.400 -0.158 0.000 0.865 452 E CB 0.352 29.970 29.700 -0.137 0.000 0.833 452 E HN 0.277 nan 8.360 nan 0.000 0.510 453 S N -0.106 115.342 115.700 -0.420 0.000 2.559 453 S HA 0.117 4.586 4.470 -0.001 0.000 0.226 453 S C 0.612 174.968 174.600 -0.405 0.000 1.000 453 S CA -0.527 57.367 58.200 -0.511 0.000 0.948 453 S CB 0.344 62.909 63.200 -1.059 0.000 0.870 453 S HN 0.017 nan 8.310 nan 0.000 0.497 454 V N 2.266 122.022 119.914 -0.264 0.000 2.901 454 V HA 0.574 4.693 4.120 -0.001 0.000 0.307 454 V C 0.344 176.324 176.094 -0.189 0.000 1.084 454 V CA 0.815 63.001 62.300 -0.191 0.000 1.184 454 V CB 0.616 32.358 31.823 -0.136 0.000 0.941 454 V HN 0.773 nan 8.190 nan 0.000 0.493 455 A N 4.538 127.252 122.820 -0.177 0.000 2.552 455 A HA 0.786 5.106 4.320 -0.001 0.000 0.288 455 A C -0.480 176.916 177.584 -0.314 0.000 1.193 455 A CA -0.100 51.824 52.037 -0.189 0.000 0.713 455 A CB 1.676 20.667 19.000 -0.016 0.000 1.305 455 A HN 1.037 nan 8.150 nan 0.000 0.424 456 S N -1.485 114.024 115.700 -0.319 0.000 2.541 456 S HA 0.454 4.923 4.470 -0.001 0.000 0.283 456 S C -0.121 174.082 174.600 -0.661 0.000 1.196 456 S CA -0.206 57.834 58.200 -0.266 0.000 1.062 456 S CB 0.473 63.663 63.200 -0.018 0.000 1.009 456 S HN 0.656 nan 8.310 nan 0.000 0.502 457 Y N 3.588 123.574 120.300 -0.522 0.000 2.490 457 Y HA 0.149 4.698 4.550 -0.001 0.000 0.281 457 Y C 0.260 175.794 175.900 -0.609 0.000 1.174 457 Y CA 0.505 58.142 58.100 -0.770 0.000 1.295 457 Y CB 0.145 38.276 38.460 -0.547 0.000 1.062 457 Y HN 0.856 nan 8.280 nan 0.000 0.522 458 W N -1.201 120.142 121.300 0.072 0.000 2.869 458 W HA -0.299 4.361 4.660 -0.001 0.000 0.285 458 W C -0.066 176.506 176.519 0.088 0.000 1.098 458 W CA 1.106 58.550 57.345 0.166 0.000 0.571 458 W CB -2.661 26.888 29.460 0.148 0.000 2.131 458 W HN 0.439 nan 8.180 nan 0.000 1.367 459 H N 0.010 119.189 119.070 0.182 0.000 2.550 459 H HA 0.152 4.707 4.556 -0.001 0.000 0.304 459 H C 1.026 176.454 175.328 0.166 0.000 1.086 459 H CA -0.242 55.870 56.048 0.106 0.000 1.089 459 H CB -0.345 29.515 29.762 0.163 0.000 1.528 459 H HN 0.043 nan 8.280 nan 0.000 0.539 460 Y N 1.131 121.671 120.300 0.400 0.000 2.652 460 Y HA 0.113 4.663 4.550 -0.001 0.000 0.344 460 Y C 0.736 176.858 175.900 0.372 0.000 1.254 460 Y CA -0.608 57.618 58.100 0.209 0.000 1.480 460 Y CB 0.285 38.786 38.460 0.069 0.000 1.345 460 Y HN 0.243 nan 8.280 nan 0.000 0.617 461 H N -0.758 118.556 119.070 0.407 0.000 2.902 461 H HA 0.639 5.194 4.556 -0.001 0.000 0.297 461 H C 0.136 175.651 175.328 0.312 0.000 1.406 461 H CA -1.117 55.117 56.048 0.310 0.000 1.134 461 H CB 1.110 31.039 29.762 0.279 0.000 1.833 461 H HN 1.420 nan 8.280 nan 0.000 0.527 462 G N -1.436 107.546 108.800 0.302 0.000 2.660 462 G HA2 0.295 4.254 3.960 -0.001 0.000 0.247 462 G HA3 0.295 4.254 3.960 -0.001 0.000 0.247 462 G C 0.656 175.665 174.900 0.181 0.000 1.328 462 G CA 1.622 46.857 45.100 0.225 0.000 0.884 462 G HN 2.017 nan 8.290 nan 0.000 0.531 463 G N -2.866 106.036 108.800 0.170 0.000 2.213 463 G HA2 0.087 4.046 3.960 -0.001 0.000 0.226 463 G HA3 0.087 4.046 3.960 -0.001 0.000 0.226 463 G C 1.106 176.058 174.900 0.086 0.000 0.992 463 G CA 1.622 46.790 45.100 0.114 0.000 0.632 463 G HN 2.498 nan 8.290 nan 0.000 0.511 464 C N 2.206 121.551 119.300 0.074 0.000 3.173 464 C HA 0.551 5.010 4.460 -0.001 0.000 0.209 464 C C 0.636 175.616 174.990 -0.017 0.000 1.229 464 C CA -0.990 58.048 59.018 0.034 0.000 1.109 464 C CB -1.520 26.227 27.740 0.011 0.000 1.833 464 C HN 0.448 nan 8.230 nan 0.000 0.626 465 L N 2.079 123.294 121.223 -0.014 0.000 2.456 465 L HA 0.292 4.631 4.340 -0.001 0.000 0.272 465 L C 0.613 177.360 176.870 -0.205 0.000 1.189 465 L CA -0.002 54.752 54.840 -0.143 0.000 0.846 465 L CB 0.567 42.522 42.059 -0.173 0.000 1.111 465 L HN 0.103 nan 8.230 nan 0.000 0.475 466 V N 2.597 122.299 119.914 -0.353 0.000 2.585 466 V HA 0.228 4.347 4.120 -0.001 0.000 0.296 466 V C 1.131 177.089 176.094 -0.227 0.000 1.035 466 V CA 1.441 63.529 62.300 -0.354 0.000 1.084 466 V CB 0.629 32.145 31.823 -0.512 0.000 0.953 466 V HN 1.131 nan 8.190 nan 0.000 0.483 467 G N 4.302 113.002 108.800 -0.167 0.000 2.217 467 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.246 467 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.246 467 G C 0.874 175.699 174.900 -0.126 0.000 0.990 467 G CA 0.386 45.406 45.100 -0.133 0.000 0.627 467 G HN 0.578 nan 8.290 nan 0.000 0.522 468 K N -0.810 119.527 120.400 -0.105 0.000 2.410 468 K HA 0.481 4.801 4.320 -0.001 0.000 0.204 468 K C 2.178 178.916 176.600 0.230 0.000 1.268 468 K CA 1.248 57.513 56.287 -0.035 0.000 0.896 468 K CB -0.166 32.238 32.500 -0.159 0.000 1.401 468 K HN 0.375 nan 8.250 nan 0.000 0.479 469 V N 1.290 121.292 119.914 0.146 0.000 3.151 469 V HA 0.228 4.348 4.120 -0.001 0.000 0.241 469 V C 1.000 177.135 176.094 0.069 0.000 1.173 469 V CA 0.283 62.677 62.300 0.157 0.000 1.154 469 V CB 0.433 32.260 31.823 0.007 0.000 0.898 469 V HN 0.002 nan 8.190 nan 0.000 0.473 470 L N 1.052 122.263 121.223 -0.021 0.000 2.332 470 L HA 0.566 4.906 4.340 -0.001 0.000 0.269 470 L C -0.343 176.464 176.870 -0.106 0.000 1.016 470 L CA -0.839 53.961 54.840 -0.068 0.000 0.809 470 L CB 1.258 43.236 42.059 -0.135 0.000 1.280 470 L HN 0.265 nan 8.230 nan 0.000 0.447 471 D N -0.117 120.216 120.400 -0.112 0.000 2.539 471 D HA 0.175 4.815 4.640 -0.001 0.000 0.276 471 D C 1.113 177.262 176.300 -0.251 0.000 1.206 471 D CA -0.412 53.511 54.000 -0.128 0.000 1.081 471 D CB 0.707 41.470 40.800 -0.061 0.000 1.142 471 D HN 0.547 nan 8.370 nan 0.000 0.595 472 G N -1.324 107.351 108.800 -0.209 0.000 2.535 472 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.218 472 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.218 472 G C 0.469 175.195 174.900 -0.290 0.000 1.122 472 G CA 0.395 45.330 45.100 -0.276 0.000 0.769 472 G HN 0.505 nan 8.290 nan 0.000 0.549 473 D N -0.380 119.924 120.400 -0.160 0.000 2.402 473 D HA 0.178 4.817 4.640 -0.001 0.000 0.216 473 D C 0.370 176.794 176.300 0.205 0.000 1.128 473 D CA -0.554 53.467 54.000 0.035 0.000 0.833 473 D CB 0.128 40.950 40.800 0.036 0.000 0.971 473 D HN 0.256 nan 8.370 nan 0.000 0.503 474 F N 0.202 120.124 119.950 -0.047 0.000 2.953 474 F HA -0.283 4.244 4.527 -0.001 0.000 0.292 474 F C 0.642 176.425 175.800 -0.028 0.000 0.747 474 F CA 0.387 58.359 58.000 -0.046 0.000 1.222 474 F CB -1.810 37.171 39.000 -0.032 0.000 1.457 474 F HN -0.086 nan 8.300 nan 0.000 0.383 475 R N 0.258 120.806 120.500 0.081 0.000 2.441 475 R HA 0.525 4.864 4.340 -0.001 0.000 0.284 475 R C -0.073 176.255 176.300 0.046 0.000 1.070 475 R CA -0.742 55.399 56.100 0.069 0.000 1.047 475 R CB 1.189 31.522 30.300 0.056 0.000 1.016 475 R HN -0.044 nan 8.270 nan 0.000 0.477 476 V N 3.531 123.477 119.914 0.053 0.000 2.439 476 V HA -0.019 4.101 4.120 -0.001 0.000 0.271 476 V C 0.834 176.994 176.094 0.110 0.000 1.040 476 V CA -0.147 62.171 62.300 0.030 0.000 1.002 476 V CB 0.662 32.486 31.823 0.001 0.000 1.000 476 V HN 0.911 nan 8.190 nan 0.000 0.477 477 T N 2.416 117.074 114.554 0.173 0.000 2.934 477 T HA 0.375 4.725 4.350 -0.001 0.000 0.306 477 T C 1.344 176.171 174.700 0.212 0.000 1.042 477 T CA 0.343 62.550 62.100 0.179 0.000 1.145 477 T CB 0.937 69.898 68.868 0.156 0.000 0.982 477 T HN 1.732 nan 8.240 nan 0.000 0.544 478 G N 2.575 111.436 108.800 0.100 0.000 2.205 478 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.261 478 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.261 478 G C 0.078 175.021 174.900 0.072 0.000 0.980 478 G CA 0.172 45.310 45.100 0.063 0.000 0.632 478 G HN 0.948 nan 8.290 nan 0.000 0.533 479 I N 1.162 121.795 120.570 0.105 0.000 2.498 479 I HA 0.343 4.513 4.170 -0.001 0.000 0.290 479 I C -0.616 175.570 176.117 0.115 0.000 1.032 479 I CA -1.126 60.246 61.300 0.119 0.000 1.073 479 I CB 1.742 39.843 38.000 0.168 0.000 1.251 479 I HN -0.060 nan 8.210 nan 0.000 0.426 480 N N 4.023 122.788 118.700 0.109 0.000 2.493 480 N HA 0.403 5.143 4.740 -0.001 0.000 0.275 480 N C 0.656 176.219 175.510 0.088 0.000 1.186 480 N CA 0.093 53.193 53.050 0.083 0.000 0.978 480 N CB 1.478 40.002 38.487 0.061 0.000 1.184 480 N HN 0.863 nan 8.380 nan 0.000 0.487 481 A N -0.407 122.448 122.820 0.059 0.000 2.832 481 A HA -0.208 4.112 4.320 -0.001 0.000 0.280 481 A C -0.373 177.243 177.584 0.053 0.000 1.464 481 A CA 0.738 52.800 52.037 0.041 0.000 0.804 481 A CB -1.993 17.015 19.000 0.012 0.000 1.020 481 A HN 0.478 nan 8.150 nan 0.000 0.563 482 L N -0.814 120.456 121.223 0.077 0.000 2.476 482 L HA 0.798 5.138 4.340 -0.001 0.000 0.269 482 L C -0.186 176.731 176.870 0.079 0.000 0.965 482 L CA -0.283 54.605 54.840 0.080 0.000 0.845 482 L CB 1.472 43.608 42.059 0.128 0.000 1.259 482 L HN 0.374 nan 8.230 nan 0.000 0.403 483 R N 3.144 123.686 120.500 0.070 0.000 2.888 483 R HA 0.885 5.224 4.340 -0.001 0.000 0.264 483 R C -1.636 174.702 176.300 0.063 0.000 1.045 483 R CA -1.145 55.004 56.100 0.081 0.000 0.962 483 R CB 2.485 32.839 30.300 0.090 0.000 1.210 483 R HN 0.342 nan 8.270 nan 0.000 0.479 484 V N 1.521 121.488 119.914 0.089 0.000 2.577 484 V HA 0.407 4.527 4.120 -0.001 0.000 0.303 484 V C -0.997 175.141 176.094 0.073 0.000 1.042 484 V CA -0.682 61.656 62.300 0.064 0.000 0.872 484 V CB 2.108 33.965 31.823 0.057 0.000 0.998 484 V HN 0.454 nan 8.190 nan 0.000 0.423 485 V N 5.091 124.996 119.914 -0.014 0.000 2.498 485 V HA 0.714 4.833 4.120 -0.001 0.000 0.283 485 V C -0.796 175.254 176.094 -0.074 0.000 1.015 485 V CA -0.382 61.856 62.300 -0.103 0.000 0.867 485 V CB 1.332 33.036 31.823 -0.198 0.000 1.025 485 V HN 1.138 nan 8.190 nan 0.000 0.441 486 D N 3.032 123.400 120.400 -0.053 0.000 3.235 486 D HA 0.192 4.832 4.640 -0.001 0.000 0.360 486 D C 1.047 177.222 176.300 -0.208 0.000 1.465 486 D CA 0.122 54.056 54.000 -0.110 0.000 0.874 486 D CB 0.617 41.368 40.800 -0.082 0.000 1.465 486 D HN 0.358 nan 8.370 nan 0.000 0.533 487 G N -0.956 107.554 108.800 -0.484 0.000 2.776 487 G HA2 0.045 4.005 3.960 -0.001 0.000 0.209 487 G HA3 0.045 4.005 3.960 -0.001 0.000 0.209 487 G C 0.998 175.851 174.900 -0.078 0.000 1.145 487 G CA 0.992 45.670 45.100 -0.704 0.000 0.791 487 G HN 0.647 nan 8.290 nan 0.000 0.530 488 S N -0.109 115.590 115.700 -0.002 0.000 2.562 488 S HA -0.065 4.404 4.470 -0.001 0.000 0.221 488 S C 2.104 176.735 174.600 0.051 0.000 0.975 488 S CA 1.232 59.476 58.200 0.074 0.000 0.918 488 S CB -0.234 62.997 63.200 0.052 0.000 0.772 488 S HN 0.346 nan 8.310 nan 0.000 0.531 489 T N -1.580 112.983 114.554 0.014 0.000 3.100 489 T HA 0.353 4.702 4.350 -0.001 0.000 0.253 489 T C 0.024 174.387 174.700 -0.560 0.000 1.118 489 T CA -0.278 61.685 62.100 -0.229 0.000 1.058 489 T CB -0.543 68.192 68.868 -0.223 0.000 0.953 489 T HN 0.325 nan 8.240 nan 0.000 0.515 490 F N 1.211 121.249 119.950 0.147 0.000 2.563 490 F HA 0.475 5.002 4.527 -0.001 0.000 0.316 490 F C -1.756 174.016 175.800 -0.046 0.000 1.076 490 F CA -2.578 55.434 58.000 0.021 0.000 0.921 490 F CB 2.216 41.228 39.000 0.021 0.000 1.209 490 F HN -0.300 nan 8.300 nan 0.000 0.462 491 P HA -0.093 nan 4.420 nan 0.000 0.220 491 P C -0.475 176.347 177.300 -0.797 0.000 1.152 491 P CA 1.479 64.155 63.100 -0.707 0.000 0.812 491 P CB 0.405 31.462 31.700 -1.070 0.000 0.792 492 Y N -1.543 118.709 120.300 -0.080 0.000 2.549 492 Y HA 0.400 4.949 4.550 -0.001 0.000 0.339 492 Y C 1.127 176.771 175.900 -0.427 0.000 1.053 492 Y CA -1.274 56.757 58.100 -0.115 0.000 1.105 492 Y CB 1.140 39.525 38.460 -0.125 0.000 1.258 492 Y HN -0.364 nan 8.280 nan 0.000 0.478 493 T N 4.009 118.375 114.554 -0.312 0.000 2.901 493 T HA 0.073 4.423 4.350 -0.001 0.000 0.301 493 T C -1.282 173.141 174.700 -0.462 0.000 1.012 493 T CA -1.440 60.369 62.100 -0.485 0.000 1.135 493 T CB 0.519 69.251 68.868 -0.226 0.000 0.936 493 T HN 0.518 nan 8.240 nan 0.000 0.539 494 P HA 0.220 nan 4.420 nan 0.000 0.229 494 P C -0.010 176.810 177.300 -0.799 0.000 1.160 494 P CA 0.356 62.970 63.100 -0.810 0.000 0.777 494 P CB 0.262 31.296 31.700 -1.111 0.000 0.814 495 A N -0.658 121.692 122.820 -0.783 0.000 2.438 495 A HA 0.418 4.737 4.320 -0.001 0.000 0.301 495 A C 1.135 178.207 177.584 -0.853 0.000 1.101 495 A CA 0.335 51.718 52.037 -1.090 0.000 0.621 495 A CB -0.260 18.296 19.000 -0.740 0.000 1.350 495 A HN -0.080 nan 8.150 nan 0.000 0.496 496 S N -0.536 114.700 115.700 -0.772 0.000 2.399 496 S HA -0.039 4.431 4.470 -0.001 0.000 0.231 496 S C 0.492 174.819 174.600 -0.454 0.000 1.022 496 S CA 2.021 59.894 58.200 -0.547 0.000 0.983 496 S CB -0.508 62.595 63.200 -0.161 0.000 0.803 496 S HN 0.776 nan 8.310 nan 0.000 0.480 497 H N 0.963 119.906 119.070 -0.212 0.000 2.924 497 H HA 0.399 4.954 4.556 -0.001 0.000 0.333 497 H C -2.200 172.878 175.328 -0.418 0.000 0.979 497 H CA -1.494 54.415 56.048 -0.232 0.000 1.326 497 H CB 1.955 31.675 29.762 -0.071 0.000 1.600 497 H HN 0.065 nan 8.280 nan 0.000 0.520 498 P HA -0.121 nan 4.420 nan 0.000 0.236 498 P C 1.025 177.986 177.300 -0.565 0.000 1.177 498 P CA 0.542 63.276 63.100 -0.610 0.000 0.773 498 P CB 0.607 31.896 31.700 -0.685 0.000 0.878 499 Q N 0.337 119.980 119.800 -0.263 0.000 2.135 499 Q HA -0.113 4.227 4.340 -0.001 0.000 0.204 499 Q C 2.188 178.148 176.000 -0.067 0.000 0.981 499 Q CA 2.100 57.867 55.803 -0.061 0.000 0.856 499 Q CB -1.624 27.143 28.738 0.048 0.000 0.902 499 Q HN 0.118 nan 8.270 nan 0.000 0.425 500 G N 0.616 109.269 108.800 -0.245 0.000 2.446 500 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.217 500 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.217 500 G C 1.146 176.069 174.900 0.039 0.000 1.168 500 G CA 0.809 45.733 45.100 -0.293 0.000 0.771 500 G HN 0.478 nan 8.290 nan 0.000 0.551 501 F N 0.516 120.344 119.950 -0.203 0.000 2.146 501 F HA 0.032 4.558 4.527 -0.001 0.000 0.298 501 F C 2.514 178.292 175.800 -0.037 0.000 1.096 501 F CA 1.132 59.048 58.000 -0.139 0.000 1.275 501 F CB -0.250 38.521 39.000 -0.382 0.000 1.008 501 F HN 0.271 nan 8.300 nan 0.000 0.480 502 Y N -0.193 120.067 120.300 -0.067 0.000 2.293 502 Y HA -0.198 4.351 4.550 -0.001 0.000 0.291 502 Y C 2.341 178.171 175.900 -0.116 0.000 1.137 502 Y CA 0.663 58.697 58.100 -0.110 0.000 1.202 502 Y CB -0.352 38.137 38.460 0.048 0.000 0.990 502 Y HN 0.084 nan 8.280 nan 0.000 0.537 503 L N -0.685 120.601 121.223 0.105 0.000 2.027 503 L HA -0.257 4.083 4.340 -0.001 0.000 0.206 503 L C 2.669 179.566 176.870 0.044 0.000 1.074 503 L CA 0.946 55.856 54.840 0.117 0.000 0.745 503 L CB -0.457 41.722 42.059 0.200 0.000 0.898 503 L HN 0.335 nan 8.230 nan 0.000 0.433 504 M N -0.017 119.558 119.600 -0.042 0.000 2.086 504 M HA -0.223 4.256 4.480 -0.001 0.000 0.261 504 M C 2.364 178.524 176.300 -0.232 0.000 1.067 504 M CA 1.980 57.164 55.300 -0.194 0.000 1.116 504 M CB -0.593 31.674 32.600 -0.555 0.000 1.348 504 M HN 0.255 nan 8.290 nan 0.000 0.407 505 L N 0.906 121.909 121.223 -0.367 0.000 2.043 505 L HA -0.106 4.234 4.340 -0.001 0.000 0.212 505 L C 2.307 179.081 176.870 -0.160 0.000 1.075 505 L CA 2.463 57.128 54.840 -0.292 0.000 0.752 505 L CB -1.422 40.411 42.059 -0.377 0.000 0.891 505 L HN 0.406 nan 8.230 nan 0.000 0.432 506 G N -0.893 107.831 108.800 -0.127 0.000 2.491 506 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.218 506 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.218 506 G C 1.806 176.614 174.900 -0.153 0.000 1.180 506 G CA 0.934 45.964 45.100 -0.117 0.000 0.774 506 G HN 0.469 nan 8.290 nan 0.000 0.562 507 R N -1.091 119.305 120.500 -0.174 0.000 2.090 507 R HA -0.058 4.281 4.340 -0.001 0.000 0.228 507 R C 2.255 178.394 176.300 -0.267 0.000 1.110 507 R CA 1.123 57.029 56.100 -0.322 0.000 0.973 507 R CB -0.526 29.422 30.300 -0.586 0.000 0.869 507 R HN 0.432 nan 8.270 nan 0.000 0.440 508 Y N 0.829 120.967 120.300 -0.269 0.000 2.053 508 Y HA -0.290 4.259 4.550 -0.001 0.000 0.277 508 Y C 1.993 177.778 175.900 -0.192 0.000 1.159 508 Y CA 2.204 60.188 58.100 -0.193 0.000 1.125 508 Y CB -0.380 38.029 38.460 -0.085 0.000 0.969 508 Y HN -0.128 nan 8.280 nan 0.000 0.492 509 V N 0.152 120.012 119.914 -0.090 0.000 2.490 509 V HA -0.246 3.873 4.120 -0.001 0.000 0.250 509 V C 2.584 178.533 176.094 -0.242 0.000 1.061 509 V CA 1.730 63.915 62.300 -0.191 0.000 1.064 509 V CB -1.580 30.070 31.823 -0.288 0.000 0.670 509 V HN 0.665 nan 8.190 nan 0.000 0.461 510 G N 0.288 108.934 108.800 -0.256 0.000 2.418 510 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.217 510 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.217 510 G C 1.475 176.209 174.900 -0.275 0.000 1.158 510 G CA 0.827 45.763 45.100 -0.273 0.000 0.771 510 G HN 0.383 nan 8.290 nan 0.000 0.545 511 I N 0.805 121.185 120.570 -0.317 0.000 2.315 511 I HA -0.058 4.112 4.170 -0.001 0.000 0.248 511 I C 2.526 178.478 176.117 -0.276 0.000 1.117 511 I CA 1.019 62.138 61.300 -0.303 0.000 1.404 511 I CB -0.630 37.156 38.000 -0.357 0.000 1.071 511 I HN 0.096 nan 8.210 nan 0.000 0.419 512 K N 0.736 120.934 120.400 -0.336 0.000 2.097 512 K HA -0.065 4.255 4.320 -0.001 0.000 0.206 512 K C 2.102 178.613 176.600 -0.148 0.000 1.049 512 K CA 1.150 57.284 56.287 -0.255 0.000 0.933 512 K CB -0.378 31.970 32.500 -0.254 0.000 0.717 512 K HN 0.361 nan 8.250 nan 0.000 0.442 513 I N 0.888 121.368 120.570 -0.151 0.000 2.252 513 I HA -0.238 3.931 4.170 -0.001 0.000 0.245 513 I C 2.257 178.336 176.117 -0.064 0.000 1.102 513 I CA 0.864 62.101 61.300 -0.105 0.000 1.385 513 I CB -0.243 37.651 38.000 -0.176 0.000 1.064 513 I HN 0.023 nan 8.210 nan 0.000 0.414 514 L N 0.079 121.254 121.223 -0.080 0.000 2.083 514 L HA -0.228 4.111 4.340 -0.001 0.000 0.209 514 L C 2.630 179.501 176.870 0.002 0.000 1.083 514 L CA 1.424 56.267 54.840 0.005 0.000 0.752 514 L CB -0.632 41.406 42.059 -0.035 0.000 0.899 514 L HN 0.331 nan 8.230 nan 0.000 0.433 515 Q N -0.295 119.473 119.800 -0.052 0.000 2.124 515 Q HA -0.259 4.081 4.340 -0.001 0.000 0.202 515 Q C 2.054 178.043 176.000 -0.018 0.000 0.977 515 Q CA 1.507 57.283 55.803 -0.045 0.000 0.850 515 Q CB -0.089 28.602 28.738 -0.078 0.000 0.901 515 Q HN 0.513 nan 8.270 nan 0.000 0.429 516 E N 0.573 120.762 120.200 -0.018 0.000 2.072 516 E HA -0.157 4.192 4.350 -0.001 0.000 0.191 516 E C 1.970 178.583 176.600 0.022 0.000 0.985 516 E CA 0.547 56.946 56.400 -0.002 0.000 0.801 516 E CB 0.270 29.967 29.700 -0.004 0.000 0.750 516 E HN 0.101 nan 8.360 nan 0.000 0.452 517 R N 0.188 120.717 120.500 0.049 0.000 2.148 517 R HA 0.006 4.345 4.340 -0.001 0.000 0.227 517 R C 2.324 178.683 176.300 0.098 0.000 1.103 517 R CA 0.768 56.922 56.100 0.089 0.000 0.983 517 R CB -0.431 29.973 30.300 0.173 0.000 0.874 517 R HN 0.122 nan 8.270 nan 0.000 0.451 518 S N 0.794 116.536 115.700 0.070 0.000 2.371 518 S HA -0.025 4.444 4.470 -0.001 0.000 0.224 518 S C 2.015 176.633 174.600 0.030 0.000 1.029 518 S CA 1.047 59.275 58.200 0.047 0.000 0.978 518 S CB -0.034 63.179 63.200 0.021 0.000 0.833 518 S HN 0.440 nan 8.310 nan 0.000 0.466 519 A N 1.723 124.555 122.820 0.020 0.000 1.930 519 A HA -0.053 4.267 4.320 -0.001 0.000 0.217 519 A C 2.220 179.813 177.584 0.016 0.000 1.175 519 A CA 1.761 53.805 52.037 0.012 0.000 0.627 519 A CB -0.692 18.311 19.000 0.005 0.000 0.815 519 A HN 0.587 nan 8.150 nan 0.000 0.443 520 S N -0.768 114.945 115.700 0.021 0.000 2.603 520 S HA 0.020 4.490 4.470 -0.001 0.000 0.220 520 S C 0.647 175.263 174.600 0.027 0.000 0.967 520 S CA 0.161 58.373 58.200 0.020 0.000 0.920 520 S CB -0.324 62.886 63.200 0.017 0.000 0.773 520 S HN 0.545 nan 8.310 nan 0.000 0.529 521 D N 0.000 120.423 120.400 0.038 0.000 6.856 521 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 521 D CA 0.000 54.027 54.000 0.045 0.000 0.868 521 D CB 0.000 40.836 40.800 0.060 0.000 0.688 521 D HN 0.000 nan 8.370 nan 0.000 0.683