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 2plk_1_A DATA FIRST_RESID 4 DATA SEQUENCE SQSIFDIXXX XXXXLSAEEI HLIEASVEQF GAPLLLLDCD VIRQQYRALK DATA SEQUENCE NALPNVTLHY ALKPLPHPVV VRTLLAEGAS FDLATTGEVE LVASEGVPAD DATA SEQUENCE LTIHTHPIKR DADIRDALAY GCNVFVVDNL NELEKFKAYR DDVELLVRLS DATA SEQUENCE FXXXXXXXXX XKKFGCSPEQ ALVIIETAKE WNIRIKGLSF HVGSQTTNPN DATA SEQUENCE KYVEAIHTCR HVMEQVVERG LPALSTLDIG GGFPVNYTQQ VMPIDQFCAP DATA SEQUENCE INEALSLLPE TVHVLAEPGR FICAPAVTSV ASVMGQAERE GQIWYYLDDG DATA SEQUENCE IYGSFSGLMF DDARYPLTTI KQGGELIPSV LSGPTCDSVD VIAENILLPK DATA SEQUENCE LNNGDLVIGR TMGAYTSATA TDFNFFKRAQ TIALNEF 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.569 174.600 -0.052 0.000 1.055 4 S CA 0.000 58.190 58.200 -0.016 0.000 1.107 4 S CB 0.000 63.258 63.200 0.097 0.000 0.593 5 Q N 1.325 121.056 119.800 -0.115 0.000 2.482 5 Q HA 0.778 5.118 4.340 -0.000 0.000 0.286 5 Q C -1.547 174.323 176.000 -0.217 0.000 1.007 5 Q CA -0.980 54.744 55.803 -0.132 0.000 0.801 5 Q CB 1.537 30.189 28.738 -0.143 0.000 1.455 5 Q HN 0.458 nan 8.270 nan 0.000 0.398 6 S N 0.906 116.482 115.700 -0.207 0.000 2.549 6 S HA 0.587 5.057 4.470 -0.000 0.000 0.297 6 S C -0.425 173.927 174.600 -0.414 0.000 1.115 6 S CA -0.718 57.217 58.200 -0.442 0.000 1.059 6 S CB 0.692 63.414 63.200 -0.797 0.000 1.046 6 S HN 0.479 nan 8.310 nan 0.000 0.506 7 I N 3.082 123.389 120.570 -0.438 0.000 2.330 7 I HA 0.261 4.431 4.170 -0.000 0.000 0.286 7 I C -0.837 175.101 176.117 -0.298 0.000 1.025 7 I CA -0.224 60.948 61.300 -0.214 0.000 1.197 7 I CB 0.523 38.486 38.000 -0.061 0.000 1.358 7 I HN 0.624 nan 8.210 nan 0.000 0.467 8 F N 4.199 124.193 119.950 0.073 0.000 2.798 8 F HA 0.186 4.713 4.527 -0.000 0.000 0.291 8 F C 1.090 176.941 175.800 0.085 0.000 1.174 8 F CA 0.093 58.153 58.000 0.100 0.000 1.392 8 F CB -0.152 38.929 39.000 0.134 0.000 0.966 8 F HN 0.456 nan 8.300 nan 0.000 0.509 9 D N -1.210 119.292 120.400 0.171 0.000 2.181 9 D HA 0.048 4.688 4.640 -0.000 0.000 0.282 9 D C 0.725 177.079 176.300 0.090 0.000 1.244 9 D CA 0.307 54.388 54.000 0.136 0.000 1.190 9 D CB 0.168 41.052 40.800 0.139 0.000 1.845 9 D HN -0.103 nan 8.370 nan 0.000 0.485 19 S N 0.051 115.753 115.700 0.004 0.000 2.681 19 S HA 0.721 5.191 4.470 -0.000 0.000 0.299 19 S C 0.988 175.596 174.600 0.014 0.000 1.113 19 S CA 0.002 58.206 58.200 0.005 0.000 1.013 19 S CB 1.912 65.113 63.200 0.003 0.000 1.076 19 S HN 0.890 nan 8.310 nan 0.000 0.534 20 A N 1.524 124.351 122.820 0.011 0.000 1.894 20 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 20 A C 2.046 179.652 177.584 0.037 0.000 1.237 20 A CA 2.285 54.330 52.037 0.014 0.000 0.660 20 A CB -1.455 17.543 19.000 -0.003 0.000 0.835 20 A HN 0.961 nan 8.150 nan 0.000 0.461 21 E N -0.667 119.551 120.200 0.031 0.000 2.077 21 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 21 E C 2.027 178.678 176.600 0.084 0.000 0.989 21 E CA 1.403 57.840 56.400 0.061 0.000 0.800 21 E CB -0.292 29.428 29.700 0.034 0.000 0.746 21 E HN 0.815 nan 8.360 nan 0.000 0.452 22 E N 0.958 121.184 120.200 0.044 0.000 2.072 22 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 22 E C 2.214 178.833 176.600 0.032 0.000 0.985 22 E CA 0.648 57.064 56.400 0.028 0.000 0.801 22 E CB -0.112 29.592 29.700 0.007 0.000 0.750 22 E HN 0.219 nan 8.360 nan 0.000 0.452 23 I N 1.056 121.651 120.570 0.041 0.000 2.194 23 I HA -0.340 3.830 4.170 -0.000 0.000 0.246 23 I C 2.700 178.854 176.117 0.062 0.000 1.093 23 I CA 1.373 62.698 61.300 0.041 0.000 1.355 23 I CB -0.464 37.560 38.000 0.040 0.000 1.046 23 I HN 0.312 nan 8.210 nan 0.000 0.413 24 H N 1.502 120.569 119.070 -0.005 0.000 2.326 24 H HA -0.124 4.432 4.556 -0.000 0.000 0.301 24 H C 2.339 177.666 175.328 -0.001 0.000 1.081 24 H CA 1.596 57.642 56.048 -0.004 0.000 1.334 24 H CB 0.081 29.840 29.762 -0.004 0.000 1.385 24 H HN 0.262 nan 8.280 nan 0.000 0.504 25 L N 0.337 121.489 121.223 -0.117 0.000 2.056 25 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 25 L C 2.878 179.683 176.870 -0.109 0.000 1.078 25 L CA 0.834 55.581 54.840 -0.155 0.000 0.749 25 L CB -0.397 41.641 42.059 -0.035 0.000 0.901 25 L HN 0.238 nan 8.230 nan 0.000 0.433 26 I N -0.071 120.466 120.570 -0.056 0.000 2.091 26 I HA -0.327 3.843 4.170 -0.000 0.000 0.239 26 I C 2.660 178.753 176.117 -0.040 0.000 1.061 26 I CA 1.584 62.865 61.300 -0.031 0.000 1.317 26 I CB -0.405 37.587 38.000 -0.014 0.000 1.031 26 I HN 0.315 nan 8.210 nan 0.000 0.401 27 E N 0.854 121.019 120.200 -0.058 0.000 2.085 27 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 27 E C 2.300 178.846 176.600 -0.090 0.000 0.994 27 E CA 1.524 57.890 56.400 -0.057 0.000 0.801 27 E CB -0.271 29.407 29.700 -0.037 0.000 0.743 27 E HN 0.572 nan 8.360 nan 0.000 0.453 28 A N 1.303 124.022 122.820 -0.168 0.000 1.969 28 A HA -0.113 4.206 4.320 -0.000 0.000 0.218 28 A C 2.402 179.901 177.584 -0.142 0.000 1.169 28 A CA 1.340 53.266 52.037 -0.184 0.000 0.635 28 A CB -0.281 18.538 19.000 -0.302 0.000 0.810 28 A HN 0.112 nan 8.150 nan 0.000 0.445 29 S N -0.190 115.471 115.700 -0.065 0.000 2.356 29 S HA -0.136 4.334 4.470 -0.000 0.000 0.223 29 S C 1.894 176.527 174.600 0.055 0.000 1.032 29 S CA 1.442 59.684 58.200 0.071 0.000 1.005 29 S CB -0.550 62.755 63.200 0.175 0.000 0.867 29 S HN 0.343 nan 8.310 nan 0.000 0.449 30 V N 2.103 122.031 119.914 0.023 0.000 2.287 30 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 30 V C 2.379 178.458 176.094 -0.025 0.000 1.053 30 V CA 1.780 64.093 62.300 0.021 0.000 1.027 30 V CB -0.808 31.025 31.823 0.016 0.000 0.646 30 V HN 0.483 nan 8.190 nan 0.000 0.447 31 E N -0.331 119.830 120.200 -0.065 0.000 2.086 31 E HA -0.381 3.969 4.350 -0.000 0.000 0.205 31 E C 2.270 178.771 176.600 -0.165 0.000 1.027 31 E CA 2.226 58.568 56.400 -0.097 0.000 0.830 31 E CB -0.165 29.471 29.700 -0.106 0.000 0.751 31 E HN 0.582 nan 8.360 nan 0.000 0.456 32 Q N -0.583 119.032 119.800 -0.309 0.000 2.096 32 Q HA -0.074 4.265 4.340 -0.000 0.000 0.197 32 Q C 1.367 176.992 176.000 -0.624 0.000 0.964 32 Q CA 1.418 56.862 55.803 -0.597 0.000 0.838 32 Q CB 0.121 28.241 28.738 -1.030 0.000 0.906 32 Q HN 0.210 nan 8.270 nan 0.000 0.444 33 F N -1.123 118.820 119.950 -0.011 0.000 2.717 33 F HA 0.495 5.022 4.527 -0.000 0.000 0.297 33 F C 1.228 177.032 175.800 0.006 0.000 1.113 33 F CA 0.458 58.456 58.000 -0.004 0.000 1.319 33 F CB 0.346 39.340 39.000 -0.011 0.000 1.097 33 F HN 0.177 nan 8.300 nan 0.000 0.595 34 G N 0.716 109.589 108.800 0.121 0.000 2.660 34 G HA2 0.267 4.227 3.960 -0.000 0.000 0.215 34 G HA3 0.267 4.227 3.960 -0.000 0.000 0.215 34 G C -0.830 174.133 174.900 0.106 0.000 1.345 34 G CA -0.612 44.545 45.100 0.095 0.000 0.877 34 G HN 0.728 nan 8.290 nan 0.000 0.549 35 A N 0.117 122.991 122.820 0.090 0.000 2.469 35 A HA 0.985 5.305 4.320 -0.000 0.000 0.299 35 A C -2.551 175.089 177.584 0.093 0.000 1.098 35 A CA -0.598 51.489 52.037 0.083 0.000 0.737 35 A CB 2.003 21.044 19.000 0.068 0.000 1.312 35 A HN 0.997 nan 8.150 nan 0.000 0.414 36 P HA 0.602 nan 4.420 nan 0.000 0.276 36 P C -1.061 176.274 177.300 0.059 0.000 1.244 36 P CA -0.108 63.039 63.100 0.077 0.000 0.801 36 P CB 0.854 32.608 31.700 0.090 0.000 1.006 37 L N 0.735 121.980 121.223 0.037 0.000 2.376 37 L HA 0.535 4.875 4.340 -0.000 0.000 0.258 37 L C -0.305 176.546 176.870 -0.031 0.000 1.013 37 L CA -1.014 53.830 54.840 0.006 0.000 0.822 37 L CB 1.968 44.038 42.059 0.019 0.000 1.388 37 L HN 0.175 nan 8.230 nan 0.000 0.413 38 L N 2.992 124.176 121.223 -0.065 0.000 2.342 38 L HA 0.483 4.823 4.340 -0.000 0.000 0.276 38 L C -0.863 175.936 176.870 -0.119 0.000 0.997 38 L CA -0.351 54.429 54.840 -0.098 0.000 0.838 38 L CB 1.565 43.559 42.059 -0.109 0.000 1.224 38 L HN 0.361 nan 8.230 nan 0.000 0.416 39 L N 4.869 126.026 121.223 -0.111 0.000 2.283 39 L HA 0.320 4.660 4.340 -0.000 0.000 0.287 39 L C -0.305 176.476 176.870 -0.149 0.000 1.073 39 L CA -0.492 54.275 54.840 -0.122 0.000 0.822 39 L CB 1.106 43.114 42.059 -0.084 0.000 1.186 39 L HN 0.420 nan 8.230 nan 0.000 0.436 40 L N 3.842 124.949 121.223 -0.194 0.000 2.260 40 L HA 0.355 4.695 4.340 -0.000 0.000 0.289 40 L C -0.323 176.425 176.870 -0.204 0.000 1.057 40 L CA 0.160 54.866 54.840 -0.224 0.000 0.811 40 L CB 0.936 42.799 42.059 -0.327 0.000 1.184 40 L HN 0.377 nan 8.230 nan 0.000 0.429 41 D N 3.943 124.240 120.400 -0.171 0.000 2.428 41 D HA 0.171 4.811 4.640 -0.000 0.000 0.221 41 D C 0.725 176.930 176.300 -0.159 0.000 1.123 41 D CA -0.282 53.629 54.000 -0.148 0.000 0.869 41 D CB 1.046 41.778 40.800 -0.114 0.000 1.032 41 D HN 0.756 nan 8.370 nan 0.000 0.506 42 C N 2.581 121.776 119.300 -0.176 0.000 2.432 42 C HA -0.070 4.390 4.460 -0.000 0.000 0.282 42 C C 1.988 176.899 174.990 -0.133 0.000 1.388 42 C CA -0.041 58.871 59.018 -0.177 0.000 1.777 42 C CB -0.355 27.257 27.740 -0.213 0.000 1.882 42 C HN 0.638 nan 8.230 nan 0.000 0.520 43 D N 0.982 121.318 120.400 -0.107 0.000 2.149 43 D HA -0.103 4.536 4.640 -0.000 0.000 0.198 43 D C 2.139 178.395 176.300 -0.073 0.000 0.990 43 D CA 1.175 55.130 54.000 -0.075 0.000 0.839 43 D CB -0.224 40.541 40.800 -0.058 0.000 0.948 43 D HN 0.324 nan 8.370 nan 0.000 0.460 44 V N 1.323 121.181 119.914 -0.092 0.000 2.591 44 V HA -0.148 3.972 4.120 -0.000 0.000 0.249 44 V C 2.449 178.483 176.094 -0.100 0.000 1.053 44 V CA 0.562 62.804 62.300 -0.097 0.000 1.068 44 V CB -0.078 31.676 31.823 -0.116 0.000 0.689 44 V HN 0.158 nan 8.190 nan 0.000 0.462 45 I N 0.423 120.923 120.570 -0.115 0.000 2.163 45 I HA -0.245 3.925 4.170 -0.000 0.000 0.243 45 I C 2.673 178.754 176.117 -0.059 0.000 1.085 45 I CA 1.850 63.077 61.300 -0.121 0.000 1.347 45 I CB -1.067 36.828 38.000 -0.175 0.000 1.044 45 I HN 0.322 nan 8.210 nan 0.000 0.408 46 R N 0.268 120.736 120.500 -0.054 0.000 2.073 46 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 46 R C 2.307 178.640 176.300 0.054 0.000 1.134 46 R CA 1.333 57.436 56.100 0.006 0.000 0.952 46 R CB -0.314 29.975 30.300 -0.018 0.000 0.850 46 R HN 0.497 nan 8.270 nan 0.000 0.433 47 Q N 0.012 119.816 119.800 0.005 0.000 2.096 47 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 47 Q C 2.198 178.209 176.000 0.017 0.000 0.982 47 Q CA 1.276 57.081 55.803 0.002 0.000 0.850 47 Q CB 0.013 28.733 28.738 -0.030 0.000 0.901 47 Q HN 0.316 nan 8.270 nan 0.000 0.422 48 Q N -0.502 119.298 119.800 0.001 0.000 2.123 48 Q HA -0.153 4.187 4.340 -0.000 0.000 0.199 48 Q C 1.866 177.972 176.000 0.178 0.000 0.966 48 Q CA 1.101 56.926 55.803 0.037 0.000 0.845 48 Q CB -0.413 28.245 28.738 -0.134 0.000 0.907 48 Q HN 0.480 nan 8.270 nan 0.000 0.439 49 Y N 1.951 122.264 120.300 0.021 0.000 2.128 49 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 49 Y C 2.275 178.172 175.900 -0.005 0.000 1.154 49 Y CA 1.832 59.933 58.100 0.001 0.000 1.149 49 Y CB -0.032 38.391 38.460 -0.061 0.000 0.976 49 Y HN -0.020 nan 8.280 nan 0.000 0.505 50 R N -0.215 120.278 120.500 -0.011 0.000 2.092 50 R HA -0.078 4.262 4.340 -0.000 0.000 0.231 50 R C 2.561 178.794 176.300 -0.111 0.000 1.119 50 R CA 1.009 57.059 56.100 -0.082 0.000 0.970 50 R CB -0.613 29.703 30.300 0.026 0.000 0.864 50 R HN 0.432 nan 8.270 nan 0.000 0.440 51 A N 1.217 124.020 122.820 -0.027 0.000 1.883 51 A HA -0.177 4.142 4.320 -0.000 0.000 0.217 51 A C 2.071 179.599 177.584 -0.094 0.000 1.186 51 A CA 1.221 53.261 52.037 0.005 0.000 0.624 51 A CB -0.478 18.608 19.000 0.143 0.000 0.822 51 A HN 0.231 nan 8.150 nan 0.000 0.444 52 L N -0.654 120.476 121.223 -0.155 0.000 2.093 52 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 52 L C 2.246 178.854 176.870 -0.437 0.000 1.085 52 L CA 2.417 56.988 54.840 -0.448 0.000 0.755 52 L CB -0.455 41.255 42.059 -0.581 0.000 0.904 52 L HN 0.323 nan 8.230 nan 0.000 0.435 53 K N -0.017 120.112 120.400 -0.452 0.000 2.063 53 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 53 K C 2.097 178.546 176.600 -0.252 0.000 1.048 53 K CA 1.810 57.846 56.287 -0.417 0.000 0.928 53 K CB -0.523 31.651 32.500 -0.544 0.000 0.713 53 K HN 0.458 nan 8.250 nan 0.000 0.442 54 N N -0.486 118.093 118.700 -0.200 0.000 2.270 54 N HA -0.111 4.629 4.740 -0.000 0.000 0.181 54 N C 1.402 176.834 175.510 -0.131 0.000 1.016 54 N CA 1.119 54.090 53.050 -0.132 0.000 0.870 54 N CB 0.020 38.451 38.487 -0.092 0.000 0.979 54 N HN 0.274 nan 8.380 nan 0.000 0.431 55 A N 0.643 123.358 122.820 -0.174 0.000 2.014 55 A HA 0.109 4.429 4.320 -0.000 0.000 0.218 55 A C 1.080 178.559 177.584 -0.175 0.000 1.163 55 A CA 0.559 52.495 52.037 -0.169 0.000 0.652 55 A CB 0.043 18.907 19.000 -0.227 0.000 0.808 55 A HN 0.275 nan 8.150 nan 0.000 0.449 56 L N 1.581 122.675 121.223 -0.214 0.000 2.495 56 L HA 0.285 4.625 4.340 -0.000 0.000 0.248 56 L C -2.616 174.173 176.870 -0.135 0.000 1.229 56 L CA -2.017 52.716 54.840 -0.179 0.000 0.942 56 L CB 1.468 43.381 42.059 -0.242 0.000 1.242 56 L HN 0.036 nan 8.230 nan 0.000 0.484 57 P HA -0.008 nan 4.420 nan 0.000 0.264 57 P C -0.145 177.130 177.300 -0.041 0.000 1.183 57 P CA 0.453 63.514 63.100 -0.066 0.000 0.763 57 P CB 0.389 32.060 31.700 -0.048 0.000 0.807 58 N N -1.229 117.455 118.700 -0.025 0.000 2.741 58 N HA -0.134 4.606 4.740 -0.000 0.000 0.251 58 N C -0.659 174.879 175.510 0.047 0.000 1.112 58 N CA 0.360 53.420 53.050 0.016 0.000 0.750 58 N CB -1.549 36.952 38.487 0.023 0.000 1.119 58 N HN 0.176 nan 8.380 nan 0.000 0.561 59 V N 0.890 120.804 119.914 -0.000 0.000 2.394 59 V HA 0.276 4.396 4.120 -0.000 0.000 0.282 59 V C 0.710 176.807 176.094 0.005 0.000 1.031 59 V CA -0.458 61.839 62.300 -0.005 0.000 0.881 59 V CB 1.742 33.530 31.823 -0.058 0.000 0.982 59 V HN 0.093 nan 8.190 nan 0.000 0.451 60 T N 7.204 121.786 114.554 0.047 0.000 2.752 60 T HA 0.375 4.725 4.350 -0.000 0.000 0.295 60 T C 0.005 174.745 174.700 0.066 0.000 0.923 60 T CA -0.005 62.137 62.100 0.070 0.000 1.112 60 T CB -0.107 68.852 68.868 0.151 0.000 0.884 60 T HN 0.362 nan 8.240 nan 0.000 0.525 61 L N 4.771 126.003 121.223 0.015 0.000 2.260 61 L HA 0.342 4.682 4.340 -0.000 0.000 0.289 61 L C 0.055 176.917 176.870 -0.013 0.000 1.057 61 L CA -0.703 54.165 54.840 0.047 0.000 0.811 61 L CB 0.083 42.154 42.059 0.020 0.000 1.184 61 L HN 0.647 nan 8.230 nan 0.000 0.429 62 H N 2.543 121.616 119.070 0.005 0.000 2.724 62 H HA 0.140 4.696 4.556 -0.000 0.000 0.278 62 H C -0.512 174.839 175.328 0.038 0.000 1.159 62 H CA -0.507 55.528 56.048 -0.022 0.000 1.254 62 H CB 0.164 29.923 29.762 -0.005 0.000 1.412 62 H HN 0.379 nan 8.280 nan 0.000 0.488 63 Y N 2.691 122.945 120.300 -0.076 0.000 2.745 63 Y HA 0.108 4.658 4.550 -0.000 0.000 0.335 63 Y C 0.161 176.151 175.900 0.150 0.000 1.212 63 Y CA -0.870 57.253 58.100 0.038 0.000 1.535 63 Y CB 0.057 38.507 38.460 -0.017 0.000 1.220 63 Y HN 0.696 nan 8.280 nan 0.000 0.531 64 A N 7.682 130.258 122.820 -0.407 0.000 2.438 64 A HA 0.221 4.541 4.320 -0.000 0.000 0.280 64 A C 0.800 177.864 177.584 -0.866 0.000 1.160 64 A CA -0.505 51.282 52.037 -0.417 0.000 0.821 64 A CB -0.135 18.760 19.000 -0.175 0.000 1.101 64 A HN 0.975 nan 8.150 nan 0.000 0.515 65 L N 2.674 123.610 121.223 -0.477 0.000 2.127 65 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 65 L C 2.425 179.169 176.870 -0.210 0.000 1.089 65 L CA 1.911 56.582 54.840 -0.282 0.000 0.757 65 L CB -0.557 41.473 42.059 -0.048 0.000 0.899 65 L HN 0.782 nan 8.230 nan 0.000 0.434 66 K N -0.256 120.038 120.400 -0.177 0.000 2.049 66 K HA -0.237 4.083 4.320 -0.000 0.000 0.219 66 K C -0.273 176.242 176.600 -0.141 0.000 1.056 66 K CA 2.149 58.384 56.287 -0.087 0.000 0.946 66 K CB -1.803 30.701 32.500 0.006 0.000 0.723 66 K HN 0.382 nan 8.250 nan 0.000 0.453 67 P HA -0.114 nan 4.420 nan 0.000 0.218 67 P C 0.226 177.339 177.300 -0.312 0.000 1.149 67 P CA 1.149 63.805 63.100 -0.739 0.000 0.817 67 P CB 0.213 31.359 31.700 -0.923 0.000 0.785 68 L N 0.365 121.530 121.223 -0.097 0.000 2.564 68 L HA 0.396 4.736 4.340 -0.000 0.000 0.259 68 L C -2.793 174.166 176.870 0.147 0.000 1.101 68 L CA -1.714 53.150 54.840 0.039 0.000 0.900 68 L CB 1.712 43.815 42.059 0.073 0.000 1.110 68 L HN -0.258 nan 8.230 nan 0.000 0.468 69 P HA 0.117 nan 4.420 nan 0.000 0.220 69 P C -0.580 176.761 177.300 0.067 0.000 1.778 69 P CA 0.110 63.253 63.100 0.072 0.000 0.912 69 P CB -0.400 31.300 31.700 0.000 0.000 1.861 70 H N 2.455 121.548 119.070 0.039 0.000 2.517 70 H HA 0.205 4.761 4.556 -0.000 0.000 0.317 70 H C -1.500 173.813 175.328 -0.025 0.000 1.080 70 H CA -2.041 54.001 56.048 -0.011 0.000 1.301 70 H CB 1.760 31.502 29.762 -0.034 0.000 1.425 70 H HN -0.047 nan 8.280 nan 0.000 0.471 71 P HA -0.171 nan 4.420 nan 0.000 0.217 71 P C 1.558 178.919 177.300 0.102 0.000 1.148 71 P CA 0.700 63.787 63.100 -0.021 0.000 0.828 71 P CB 0.475 32.112 31.700 -0.106 0.000 0.783 72 V N -0.391 119.720 119.914 0.329 0.000 2.379 72 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 72 V C 2.691 178.773 176.094 -0.020 0.000 1.044 72 V CA 1.401 63.763 62.300 0.103 0.000 1.036 72 V CB -1.085 30.731 31.823 -0.011 0.000 0.664 72 V HN -0.053 nan 8.190 nan 0.000 0.453 73 V N -0.046 119.866 119.914 -0.003 0.000 2.287 73 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 73 V C 2.453 178.506 176.094 -0.068 0.000 1.053 73 V CA 2.007 64.243 62.300 -0.106 0.000 1.027 73 V CB -0.559 31.201 31.823 -0.106 0.000 0.646 73 V HN 0.405 nan 8.190 nan 0.000 0.447 74 V N -0.098 119.829 119.914 0.022 0.000 2.287 74 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 74 V C 2.605 178.703 176.094 0.007 0.000 1.053 74 V CA 2.257 64.561 62.300 0.007 0.000 1.027 74 V CB -0.801 30.925 31.823 -0.162 0.000 0.646 74 V HN 0.470 nan 8.190 nan 0.000 0.447 75 R N -0.428 120.061 120.500 -0.018 0.000 2.075 75 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 75 R C 2.447 178.742 176.300 -0.008 0.000 1.126 75 R CA 1.885 57.990 56.100 0.007 0.000 0.963 75 R CB -0.813 29.504 30.300 0.028 0.000 0.858 75 R HN 0.504 nan 8.270 nan 0.000 0.435 76 T N 1.853 116.358 114.554 -0.080 0.000 2.665 76 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 76 T C 1.892 176.518 174.700 -0.122 0.000 1.035 76 T CA 1.246 63.266 62.100 -0.133 0.000 1.151 76 T CB -0.174 68.584 68.868 -0.184 0.000 0.862 76 T HN 0.141 nan 8.240 nan 0.000 0.438 77 L N 0.115 121.272 121.223 -0.110 0.000 2.109 77 L HA 0.004 4.344 4.340 -0.000 0.000 0.207 77 L C 2.411 179.214 176.870 -0.112 0.000 1.086 77 L CA 0.526 55.239 54.840 -0.213 0.000 0.760 77 L CB -0.452 41.468 42.059 -0.231 0.000 0.910 77 L HN 0.212 nan 8.230 nan 0.000 0.437 78 L N 0.314 121.647 121.223 0.183 0.000 2.046 78 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 78 L C 2.593 179.490 176.870 0.045 0.000 1.077 78 L CA 2.008 56.970 54.840 0.204 0.000 0.747 78 L CB -0.603 41.587 42.059 0.220 0.000 0.896 78 L HN 0.146 nan 8.230 nan 0.000 0.432 79 A N -1.339 121.493 122.820 0.020 0.000 2.015 79 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 79 A C 2.097 179.660 177.584 -0.035 0.000 1.163 79 A CA 1.341 53.388 52.037 0.017 0.000 0.646 79 A CB -0.466 18.568 19.000 0.058 0.000 0.806 79 A HN 0.492 nan 8.150 nan 0.000 0.448 80 E N -1.301 118.822 120.200 -0.128 0.000 2.358 80 E HA 0.093 4.443 4.350 -0.000 0.000 0.195 80 E C 1.306 177.807 176.600 -0.165 0.000 1.010 80 E CA 0.823 57.114 56.400 -0.182 0.000 0.856 80 E CB -0.067 29.382 29.700 -0.418 0.000 0.795 80 E HN 0.797 nan 8.360 nan 0.000 0.504 81 G N 0.496 109.194 108.800 -0.170 0.000 2.148 81 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.203 81 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.203 81 G C 0.443 175.251 174.900 -0.154 0.000 0.993 81 G CA 0.144 45.190 45.100 -0.091 0.000 0.661 81 G HN 0.490 nan 8.290 nan 0.000 0.518 82 A N -0.067 122.511 122.820 -0.404 0.000 2.366 82 A HA 0.833 5.153 4.320 -0.000 0.000 0.249 82 A C 0.885 178.127 177.584 -0.571 0.000 1.084 82 A CA 1.035 52.764 52.037 -0.514 0.000 0.794 82 A CB 0.595 19.084 19.000 -0.852 0.000 1.034 82 A HN 1.076 nan 8.150 nan 0.000 0.491 83 S N -1.015 114.291 115.700 -0.657 0.000 2.768 83 S HA 0.852 5.322 4.470 -0.000 0.000 0.300 83 S C -1.056 172.956 174.600 -0.979 0.000 1.122 83 S CA -0.229 57.532 58.200 -0.732 0.000 0.995 83 S CB 0.652 63.299 63.200 -0.922 0.000 1.195 83 S HN 0.475 nan 8.310 nan 0.000 0.547 84 F N 0.742 120.700 119.950 0.014 0.000 2.578 84 F HA 0.444 4.970 4.527 -0.000 0.000 0.311 84 F C -0.536 175.401 175.800 0.227 0.000 1.094 84 F CA -0.963 57.129 58.000 0.154 0.000 0.923 84 F CB 1.604 40.679 39.000 0.124 0.000 1.230 84 F HN 0.439 nan 8.300 nan 0.000 0.450 85 D N 3.238 123.806 120.400 0.281 0.000 2.425 85 D HA 0.576 5.216 4.640 -0.000 0.000 0.240 85 D C -1.341 174.972 176.300 0.022 0.000 1.080 85 D CA -0.133 53.940 54.000 0.122 0.000 0.836 85 D CB 0.882 41.717 40.800 0.059 0.000 1.125 85 D HN 0.448 nan 8.370 nan 0.000 0.525 86 L N 2.520 123.715 121.223 -0.047 0.000 2.334 86 L HA 0.807 5.147 4.340 -0.000 0.000 0.273 86 L C 0.750 177.372 176.870 -0.413 0.000 1.013 86 L CA -0.984 53.757 54.840 -0.165 0.000 0.816 86 L CB 1.943 43.938 42.059 -0.106 0.000 1.278 86 L HN 0.575 nan 8.230 nan 0.000 0.431 87 A N 0.621 123.210 122.820 -0.384 0.000 2.427 87 A HA 0.391 4.711 4.320 -0.000 0.000 0.225 87 A C 0.432 177.915 177.584 -0.168 0.000 1.257 87 A CA 0.602 52.438 52.037 -0.334 0.000 0.985 87 A CB 0.509 19.436 19.000 -0.123 0.000 1.136 87 A HN 0.754 nan 8.150 nan 0.000 0.538 88 T N -5.475 109.021 114.554 -0.098 0.000 2.802 88 T HA 0.362 4.712 4.350 -0.000 0.000 0.311 88 T C 0.627 175.396 174.700 0.115 0.000 1.405 88 T CA 0.478 62.642 62.100 0.107 0.000 1.016 88 T CB 0.766 69.672 68.868 0.064 0.000 1.352 88 T HN -0.134 nan 8.240 nan 0.000 0.498 89 T N 0.951 115.574 114.554 0.115 0.000 2.759 89 T HA 0.010 4.360 4.350 -0.000 0.000 0.269 89 T C 2.216 176.917 174.700 0.003 0.000 1.042 89 T CA 2.043 64.180 62.100 0.062 0.000 1.140 89 T CB -0.955 67.939 68.868 0.043 0.000 0.864 89 T HN 0.905 nan 8.240 nan 0.000 0.455 90 G N 1.142 109.940 108.800 -0.003 0.000 2.402 90 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 90 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 90 G C 1.461 176.326 174.900 -0.057 0.000 1.162 90 G CA 0.584 45.667 45.100 -0.029 0.000 0.777 90 G HN 0.511 nan 8.290 nan 0.000 0.539 91 E N 0.050 120.218 120.200 -0.053 0.000 2.051 91 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 91 E C 2.759 179.278 176.600 -0.136 0.000 0.991 91 E CA 1.006 57.356 56.400 -0.083 0.000 0.799 91 E CB -0.231 29.424 29.700 -0.075 0.000 0.748 91 E HN 0.261 nan 8.360 nan 0.000 0.449 92 V N 1.766 121.603 119.914 -0.129 0.000 2.231 92 V HA -0.344 3.776 4.120 -0.000 0.000 0.250 92 V C 2.124 177.997 176.094 -0.368 0.000 1.058 92 V CA 2.307 64.448 62.300 -0.266 0.000 1.022 92 V CB -0.615 31.147 31.823 -0.102 0.000 0.640 92 V HN 0.274 nan 8.190 nan 0.000 0.445 93 E N -0.504 119.574 120.200 -0.203 0.000 2.118 93 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 93 E C 2.063 178.558 176.600 -0.174 0.000 0.992 93 E CA 1.527 57.828 56.400 -0.166 0.000 0.804 93 E CB -0.263 29.384 29.700 -0.089 0.000 0.741 93 E HN 0.452 nan 8.360 nan 0.000 0.458 94 L N 0.722 121.845 121.223 -0.166 0.000 1.976 94 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 94 L C 2.473 179.219 176.870 -0.206 0.000 1.071 94 L CA 1.638 56.384 54.840 -0.156 0.000 0.746 94 L CB -0.676 41.306 42.059 -0.128 0.000 0.890 94 L HN 0.142 nan 8.230 nan 0.000 0.432 95 V N -1.986 117.760 119.914 -0.280 0.000 2.392 95 V HA -0.201 3.919 4.120 -0.000 0.000 0.249 95 V C 2.518 178.456 176.094 -0.261 0.000 1.059 95 V CA 1.614 63.714 62.300 -0.334 0.000 1.051 95 V CB -2.066 29.533 31.823 -0.374 0.000 0.658 95 V HN 0.471 nan 8.190 nan 0.000 0.455 96 A N 1.712 124.322 122.820 -0.350 0.000 1.902 96 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 96 A C 2.593 180.144 177.584 -0.055 0.000 1.181 96 A CA 2.581 54.522 52.037 -0.159 0.000 0.623 96 A CB -1.095 17.779 19.000 -0.211 0.000 0.818 96 A HN 0.995 nan 8.150 nan 0.000 0.443 97 S N -0.506 115.139 115.700 -0.090 0.000 2.447 97 S HA -0.073 4.397 4.470 -0.000 0.000 0.233 97 S C 1.030 175.604 174.600 -0.043 0.000 1.006 97 S CA 1.224 59.392 58.200 -0.053 0.000 0.957 97 S CB -0.158 63.005 63.200 -0.061 0.000 0.773 97 S HN 0.495 nan 8.310 nan 0.000 0.507 98 E N 0.922 121.081 120.200 -0.068 0.000 2.444 98 E HA 0.270 4.619 4.350 -0.000 0.000 0.191 98 E C 1.197 177.779 176.600 -0.030 0.000 1.041 98 E CA 0.366 56.733 56.400 -0.055 0.000 0.883 98 E CB -0.129 29.512 29.700 -0.098 0.000 1.024 98 E HN 0.668 nan 8.360 nan 0.000 0.470 99 G N 1.107 109.905 108.800 -0.004 0.000 2.153 99 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.252 99 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.252 99 G C 0.491 175.419 174.900 0.046 0.000 0.994 99 G CA 0.417 45.536 45.100 0.031 0.000 0.698 99 G HN 0.209 nan 8.290 nan 0.000 0.521 100 V N 1.990 121.918 119.914 0.025 0.000 2.529 100 V HA 0.284 4.404 4.120 -0.000 0.000 0.292 100 V C -1.048 175.150 176.094 0.174 0.000 1.028 100 V CA -0.781 61.555 62.300 0.060 0.000 1.074 100 V CB 0.878 32.643 31.823 -0.097 0.000 0.958 100 V HN 0.227 nan 8.190 nan 0.000 0.481 101 P HA 0.198 nan 4.420 nan 0.000 0.271 101 P C 0.451 177.779 177.300 0.048 0.000 1.218 101 P CA -0.230 62.911 63.100 0.068 0.000 0.780 101 P CB 0.884 32.613 31.700 0.048 0.000 0.901 102 A N 2.721 125.426 122.820 -0.191 0.000 2.067 102 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 102 A C 1.405 178.928 177.584 -0.101 0.000 1.158 102 A CA 1.540 53.330 52.037 -0.412 0.000 0.661 102 A CB -1.075 17.411 19.000 -0.858 0.000 0.801 102 A HN 0.622 nan 8.150 nan 0.000 0.452 103 D N -0.127 120.251 120.400 -0.036 0.000 2.363 103 D HA -0.037 4.603 4.640 -0.000 0.000 0.226 103 D C 1.169 177.524 176.300 0.091 0.000 1.020 103 D CA 0.370 54.386 54.000 0.026 0.000 0.892 103 D CB -0.454 40.358 40.800 0.019 0.000 0.900 103 D HN 0.473 nan 8.370 nan 0.000 0.531 104 L N 0.352 121.652 121.223 0.127 0.000 2.628 104 L HA 0.179 4.519 4.340 -0.000 0.000 0.229 104 L C 0.632 177.648 176.870 0.243 0.000 1.137 104 L CA 0.110 55.043 54.840 0.154 0.000 0.909 104 L CB -0.096 42.076 42.059 0.189 0.000 1.137 104 L HN 0.083 nan 8.230 nan 0.000 0.470 105 T N -1.155 113.565 114.554 0.278 0.000 2.908 105 T HA 0.692 5.041 4.350 -0.000 0.000 0.290 105 T C -0.405 174.425 174.700 0.216 0.000 1.034 105 T CA -0.674 61.626 62.100 0.334 0.000 1.010 105 T CB 2.515 71.602 68.868 0.363 0.000 1.068 105 T HN 0.127 nan 8.240 nan 0.000 0.481 106 I N -0.764 119.901 120.570 0.157 0.000 2.892 106 I HA 0.612 4.782 4.170 -0.000 0.000 0.306 106 I C -1.003 175.098 176.117 -0.026 0.000 1.078 106 I CA -1.168 60.108 61.300 -0.040 0.000 1.032 106 I CB 2.483 40.362 38.000 -0.201 0.000 1.229 106 I HN 0.725 nan 8.210 nan 0.000 0.435 107 H N 3.388 122.327 119.070 -0.219 0.000 2.539 107 H HA 0.365 4.921 4.556 -0.000 0.000 0.332 107 H C -0.464 174.828 175.328 -0.059 0.000 1.031 107 H CA -0.050 55.915 56.048 -0.139 0.000 1.206 107 H CB 2.004 31.602 29.762 -0.273 0.000 1.446 107 H HN 0.912 nan 8.280 nan 0.000 0.496 108 T N 0.783 115.316 114.554 -0.035 0.000 3.084 108 T HA 0.010 4.360 4.350 -0.000 0.000 0.270 108 T C 0.516 175.204 174.700 -0.019 0.000 1.008 108 T CA -0.375 61.717 62.100 -0.014 0.000 0.900 108 T CB -0.221 68.589 68.868 -0.097 0.000 1.084 108 T HN 0.478 nan 8.240 nan 0.000 0.538 109 H N 3.432 122.498 119.070 -0.008 0.000 2.955 109 H HA 0.231 4.787 4.556 -0.000 0.000 0.290 109 H C -2.069 173.269 175.328 0.017 0.000 1.047 109 H CA -1.848 54.176 56.048 -0.040 0.000 1.484 109 H CB 1.729 31.540 29.762 0.082 0.000 1.501 109 H HN 0.062 nan 8.280 nan 0.000 0.521 110 P HA -0.007 nan 4.420 nan 0.000 0.229 110 P C -0.197 177.261 177.300 0.264 0.000 1.160 110 P CA 0.856 64.010 63.100 0.089 0.000 0.777 110 P CB 0.483 32.080 31.700 -0.170 0.000 0.814 111 I N 0.134 120.947 120.570 0.405 0.000 2.439 111 I HA 0.302 4.472 4.170 -0.000 0.000 0.283 111 I C -0.126 175.973 176.117 -0.031 0.000 1.023 111 I CA -0.854 60.580 61.300 0.225 0.000 1.100 111 I CB 1.695 39.884 38.000 0.316 0.000 1.238 111 I HN -0.186 nan 8.210 nan 0.000 0.445 112 K N 5.577 125.954 120.400 -0.039 0.000 2.427 112 K HA 0.600 4.919 4.320 -0.000 0.000 0.252 112 K C -0.427 176.095 176.600 -0.129 0.000 0.931 112 K CA -0.872 55.336 56.287 -0.131 0.000 0.793 112 K CB 3.018 35.449 32.500 -0.115 0.000 1.211 112 K HN 0.408 nan 8.250 nan 0.000 0.426 113 R N 0.870 121.294 120.500 -0.127 0.000 2.679 113 R HA -0.031 4.309 4.340 -0.000 0.000 0.269 113 R C 0.747 176.954 176.300 -0.155 0.000 1.076 113 R CA -0.087 55.948 56.100 -0.109 0.000 1.160 113 R CB 0.301 30.555 30.300 -0.077 0.000 1.054 113 R HN 0.722 nan 8.270 nan 0.000 0.507 114 D N 1.744 122.063 120.400 -0.135 0.000 2.116 114 D HA -0.228 4.412 4.640 -0.000 0.000 0.193 114 D C 1.678 177.891 176.300 -0.144 0.000 0.998 114 D CA 2.148 56.062 54.000 -0.143 0.000 0.836 114 D CB 0.078 40.839 40.800 -0.066 0.000 0.951 114 D HN 0.622 nan 8.370 nan 0.000 0.449 115 A N 0.179 122.942 122.820 -0.095 0.000 1.986 115 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 115 A C 1.841 179.369 177.584 -0.094 0.000 1.171 115 A CA 1.991 53.984 52.037 -0.074 0.000 0.640 115 A CB -0.508 18.466 19.000 -0.042 0.000 0.811 115 A HN 0.275 nan 8.150 nan 0.000 0.451 116 D N -0.228 120.099 120.400 -0.121 0.000 2.183 116 D HA -0.038 4.602 4.640 -0.000 0.000 0.203 116 D C 1.837 178.024 176.300 -0.188 0.000 0.969 116 D CA 0.923 54.859 54.000 -0.106 0.000 0.842 116 D CB -0.269 40.473 40.800 -0.097 0.000 0.957 116 D HN 0.544 nan 8.370 nan 0.000 0.484 117 I N 0.849 121.209 120.570 -0.349 0.000 2.163 117 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 117 I C 2.553 178.433 176.117 -0.395 0.000 1.081 117 I CA 1.035 61.983 61.300 -0.588 0.000 1.353 117 I CB -0.100 37.289 38.000 -1.017 0.000 1.054 117 I HN -0.148 nan 8.210 nan 0.000 0.407 118 R N 0.663 120.970 120.500 -0.322 0.000 2.081 118 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 118 R C 1.943 178.220 176.300 -0.039 0.000 1.131 118 R CA 1.664 57.665 56.100 -0.165 0.000 0.960 118 R CB -0.472 29.784 30.300 -0.073 0.000 0.856 118 R HN 0.384 nan 8.270 nan 0.000 0.436 119 D N 0.670 121.059 120.400 -0.018 0.000 2.123 119 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 119 D C 1.815 178.181 176.300 0.110 0.000 0.992 119 D CA 1.617 55.642 54.000 0.041 0.000 0.833 119 D CB -0.300 40.520 40.800 0.033 0.000 0.954 119 D HN 0.259 nan 8.370 nan 0.000 0.455 120 A N 0.713 123.616 122.820 0.138 0.000 1.873 120 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 120 A C 2.426 180.176 177.584 0.278 0.000 1.186 120 A CA 0.840 53.032 52.037 0.259 0.000 0.616 120 A CB -0.841 18.333 19.000 0.290 0.000 0.823 120 A HN 0.186 nan 8.150 nan 0.000 0.442 121 L N -0.666 120.697 121.223 0.233 0.000 2.042 121 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 121 L C 3.096 180.034 176.870 0.114 0.000 1.076 121 L CA 1.097 56.033 54.840 0.160 0.000 0.749 121 L CB -0.498 41.594 42.059 0.056 0.000 0.893 121 L HN 0.457 nan 8.230 nan 0.000 0.432 122 A N -0.691 122.193 122.820 0.107 0.000 1.940 122 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 122 A C 2.177 179.845 177.584 0.139 0.000 1.176 122 A CA 1.791 53.889 52.037 0.102 0.000 0.631 122 A CB -0.863 18.188 19.000 0.084 0.000 0.814 122 A HN 0.545 nan 8.150 nan 0.000 0.446 123 Y N -0.188 120.138 120.300 0.043 0.000 2.263 123 Y HA 0.208 4.758 4.550 -0.000 0.000 0.292 123 Y C 1.548 177.472 175.900 0.041 0.000 1.130 123 Y CA 1.505 59.627 58.100 0.038 0.000 1.179 123 Y CB -0.175 38.309 38.460 0.039 0.000 0.998 123 Y HN 0.499 nan 8.280 nan 0.000 0.532 124 G N -1.381 107.334 108.800 -0.142 0.000 2.234 124 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.153 124 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.153 124 G C -0.371 174.429 174.900 -0.167 0.000 1.013 124 G CA -0.310 44.675 45.100 -0.191 0.000 0.712 124 G HN 0.555 nan 8.290 nan 0.000 0.491 125 C N 2.467 121.727 119.300 -0.066 0.000 2.566 125 C HA 0.653 5.113 4.460 -0.000 0.000 0.393 125 C C 1.254 176.188 174.990 -0.092 0.000 1.309 125 C CA 0.373 59.366 59.018 -0.041 0.000 1.801 125 C CB -0.403 27.396 27.740 0.098 0.000 2.493 125 C HN 0.598 nan 8.230 nan 0.000 0.575 126 N N 3.816 122.453 118.700 -0.105 0.000 2.194 126 N HA 0.138 4.878 4.740 -0.000 0.000 0.231 126 N C -0.915 174.565 175.510 -0.050 0.000 1.247 126 N CA -0.179 52.891 53.050 0.033 0.000 0.884 126 N CB 0.105 38.659 38.487 0.112 0.000 1.146 126 N HN 0.370 nan 8.380 nan 0.000 0.516 127 V N 1.545 121.288 119.914 -0.286 0.000 2.370 127 V HA 0.532 4.651 4.120 -0.000 0.000 0.279 127 V C -0.746 175.049 176.094 -0.498 0.000 1.029 127 V CA -0.444 61.718 62.300 -0.231 0.000 0.870 127 V CB 0.030 31.769 31.823 -0.141 0.000 0.984 127 V HN 0.037 nan 8.190 nan 0.000 0.451 128 F N 2.831 122.748 119.950 -0.056 0.000 2.654 128 F HA 0.758 5.285 4.527 -0.000 0.000 0.334 128 F C -0.050 175.705 175.800 -0.076 0.000 1.078 128 F CA -1.120 56.863 58.000 -0.028 0.000 0.986 128 F CB 1.993 40.971 39.000 -0.037 0.000 1.362 128 F HN 0.138 nan 8.300 nan 0.000 0.498 129 V N 1.943 121.988 119.914 0.219 0.000 2.628 129 V HA 0.762 4.882 4.120 -0.000 0.000 0.306 129 V C -0.817 175.353 176.094 0.127 0.000 1.045 129 V CA -0.751 61.610 62.300 0.102 0.000 0.905 129 V CB 1.942 33.801 31.823 0.059 0.000 0.997 129 V HN 0.648 nan 8.190 nan 0.000 0.436 130 V N 1.057 121.017 119.914 0.077 0.000 3.078 130 V HA 0.839 4.959 4.120 -0.000 0.000 0.311 130 V C -0.523 175.625 176.094 0.089 0.000 1.138 130 V CA -0.527 61.843 62.300 0.116 0.000 1.007 130 V CB 2.331 34.229 31.823 0.124 0.000 1.045 130 V HN 0.863 nan 8.190 nan 0.000 0.432 131 D N -0.002 120.465 120.400 0.110 0.000 2.563 131 D HA 0.207 4.847 4.640 -0.000 0.000 0.256 131 D C -0.221 176.132 176.300 0.087 0.000 1.400 131 D CA 0.476 54.530 54.000 0.090 0.000 0.800 131 D CB -0.469 40.397 40.800 0.111 0.000 1.145 131 D HN 0.963 nan 8.370 nan 0.000 0.501 132 N N -1.174 117.587 118.700 0.102 0.000 2.927 132 N HA 0.281 5.021 4.740 -0.000 0.000 0.248 132 N C -0.280 175.296 175.510 0.111 0.000 1.443 132 N CA -0.931 52.174 53.050 0.091 0.000 0.870 132 N CB 0.825 39.370 38.487 0.097 0.000 1.444 132 N HN -0.147 nan 8.380 nan 0.000 0.519 133 L N -0.294 120.990 121.223 0.101 0.000 2.240 133 L HA 0.102 4.442 4.340 -0.000 0.000 0.211 133 L C 2.153 179.150 176.870 0.211 0.000 1.106 133 L CA 0.458 55.380 54.840 0.138 0.000 0.793 133 L CB -0.509 41.602 42.059 0.088 0.000 0.927 133 L HN 0.738 nan 8.230 nan 0.000 0.446 134 N N 0.719 119.514 118.700 0.158 0.000 2.104 134 N HA -0.261 4.479 4.740 -0.000 0.000 0.190 134 N C 1.819 177.418 175.510 0.148 0.000 1.024 134 N CA 1.722 54.856 53.050 0.139 0.000 0.853 134 N CB 0.246 38.792 38.487 0.099 0.000 1.008 134 N HN 0.301 nan 8.380 nan 0.000 0.424 135 E N 0.610 120.912 120.200 0.169 0.000 2.046 135 E HA -0.078 4.272 4.350 -0.000 0.000 0.190 135 E C 2.043 178.832 176.600 0.316 0.000 0.982 135 E CA 0.447 56.969 56.400 0.204 0.000 0.800 135 E CB -0.524 29.309 29.700 0.222 0.000 0.756 135 E HN 0.280 nan 8.360 nan 0.000 0.449 136 L N 1.449 122.865 121.223 0.323 0.000 2.051 136 L HA -0.238 4.102 4.340 -0.000 0.000 0.214 136 L C 2.205 179.366 176.870 0.486 0.000 1.076 136 L CA 2.593 57.677 54.840 0.408 0.000 0.758 136 L CB -0.657 41.586 42.059 0.306 0.000 0.890 136 L HN 0.333 nan 8.230 nan 0.000 0.433 137 E N -0.619 119.821 120.200 0.399 0.000 2.268 137 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 137 E C 1.896 178.511 176.600 0.026 0.000 0.995 137 E CA 1.118 57.622 56.400 0.174 0.000 0.836 137 E CB -0.144 29.604 29.700 0.079 0.000 0.763 137 E HN 0.529 nan 8.360 nan 0.000 0.491 138 K N -0.514 119.904 120.400 0.030 0.000 2.442 138 K HA -0.077 4.243 4.320 -0.000 0.000 0.198 138 K C 0.622 177.092 176.600 -0.216 0.000 1.042 138 K CA 0.650 56.848 56.287 -0.148 0.000 0.958 138 K CB 0.002 32.340 32.500 -0.269 0.000 0.766 138 K HN 0.233 nan 8.250 nan 0.000 0.474 139 F N 0.779 120.786 119.950 0.095 0.000 2.727 139 F HA 0.141 4.668 4.527 -0.000 0.000 0.302 139 F C 1.634 177.470 175.800 0.060 0.000 1.097 139 F CA 0.038 58.138 58.000 0.166 0.000 1.330 139 F CB 0.257 39.335 39.000 0.131 0.000 1.084 139 F HN -0.171 nan 8.300 nan 0.000 0.578 140 K N 0.603 121.032 120.400 0.049 0.000 2.063 140 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 140 K C 2.258 178.746 176.600 -0.187 0.000 1.048 140 K CA 1.393 57.630 56.287 -0.084 0.000 0.928 140 K CB -0.319 32.041 32.500 -0.235 0.000 0.713 140 K HN 0.239 nan 8.250 nan 0.000 0.442 141 A N 0.004 122.573 122.820 -0.419 0.000 2.121 141 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 141 A C 0.802 177.967 177.584 -0.698 0.000 1.154 141 A CA 1.132 52.763 52.037 -0.677 0.000 0.679 141 A CB -0.318 18.066 19.000 -1.028 0.000 0.795 141 A HN 0.366 nan 8.150 nan 0.000 0.458 142 Y N -0.854 119.464 120.300 0.030 0.000 2.641 142 Y HA 0.175 4.725 4.550 -0.000 0.000 0.248 142 Y C 1.739 177.710 175.900 0.118 0.000 1.170 142 Y CA -0.244 57.903 58.100 0.078 0.000 1.201 142 Y CB -0.243 38.281 38.460 0.106 0.000 1.232 142 Y HN 0.462 nan 8.280 nan 0.000 0.537 143 R N -0.282 120.320 120.500 0.171 0.000 2.249 143 R HA -0.133 4.206 4.340 -0.000 0.000 0.230 143 R C 0.073 176.447 176.300 0.125 0.000 1.121 143 R CA 1.989 58.180 56.100 0.152 0.000 0.997 143 R CB -0.250 30.116 30.300 0.109 0.000 0.867 143 R HN 0.109 nan 8.270 nan 0.000 0.465 144 D N 0.274 120.743 120.400 0.115 0.000 2.350 144 D HA -0.010 4.630 4.640 -0.000 0.000 0.213 144 D C 0.529 176.896 176.300 0.111 0.000 1.031 144 D CA 0.513 54.570 54.000 0.094 0.000 0.861 144 D CB 0.259 41.101 40.800 0.071 0.000 0.926 144 D HN 0.341 nan 8.370 nan 0.000 0.520 145 D N -0.096 120.399 120.400 0.158 0.000 2.469 145 D HA 0.032 4.672 4.640 -0.000 0.000 0.240 145 D C 0.964 177.374 176.300 0.183 0.000 1.087 145 D CA 0.266 54.368 54.000 0.169 0.000 0.876 145 D CB 1.699 42.627 40.800 0.213 0.000 1.160 145 D HN 0.100 nan 8.370 nan 0.000 0.497 146 V N 0.059 120.095 119.914 0.204 0.000 2.881 146 V HA 0.710 4.830 4.120 -0.000 0.000 0.316 146 V C -0.896 175.264 176.094 0.110 0.000 1.070 146 V CA -0.857 61.566 62.300 0.206 0.000 0.976 146 V CB 2.293 34.273 31.823 0.262 0.000 1.038 146 V HN 0.042 nan 8.190 nan 0.000 0.446 147 E N 3.406 123.654 120.200 0.080 0.000 2.272 147 E HA 0.720 5.070 4.350 -0.000 0.000 0.269 147 E C -1.532 175.060 176.600 -0.013 0.000 0.877 147 E CA -0.952 55.463 56.400 0.025 0.000 0.755 147 E CB 2.549 32.266 29.700 0.028 0.000 1.192 147 E HN 0.672 nan 8.360 nan 0.000 0.422 148 L N 2.827 124.019 121.223 -0.051 0.000 2.334 148 L HA 0.496 4.836 4.340 -0.000 0.000 0.276 148 L C -0.476 176.368 176.870 -0.044 0.000 1.014 148 L CA -1.203 53.584 54.840 -0.088 0.000 0.815 148 L CB 1.336 43.293 42.059 -0.169 0.000 1.268 148 L HN 0.481 nan 8.230 nan 0.000 0.428 149 L N 2.799 124.001 121.223 -0.035 0.000 2.289 149 L HA 0.436 4.776 4.340 -0.000 0.000 0.285 149 L C -0.439 176.430 176.870 -0.002 0.000 1.049 149 L CA -0.721 54.108 54.840 -0.019 0.000 0.804 149 L CB 1.943 43.981 42.059 -0.034 0.000 1.195 149 L HN 0.271 nan 8.230 nan 0.000 0.428 150 V N 4.117 124.039 119.914 0.014 0.000 2.383 150 V HA 0.316 4.436 4.120 -0.000 0.000 0.275 150 V C 0.273 176.394 176.094 0.044 0.000 1.036 150 V CA -0.544 61.772 62.300 0.026 0.000 0.889 150 V CB 1.221 33.057 31.823 0.023 0.000 0.985 150 V HN 0.668 nan 8.190 nan 0.000 0.459 151 R N 4.503 125.029 120.500 0.044 0.000 2.221 151 R HA 0.582 4.922 4.340 -0.000 0.000 0.327 151 R C -1.336 174.984 176.300 0.034 0.000 1.033 151 R CA -0.593 55.543 56.100 0.059 0.000 0.887 151 R CB 0.771 31.101 30.300 0.049 0.000 1.057 151 R HN 0.558 nan 8.270 nan 0.000 0.455 152 L N 2.867 124.099 121.223 0.016 0.000 2.331 152 L HA 0.452 4.792 4.340 -0.000 0.000 0.275 152 L C -0.169 176.470 176.870 -0.385 0.000 1.022 152 L CA -0.016 54.703 54.840 -0.202 0.000 0.812 152 L CB 2.005 43.907 42.059 -0.261 0.000 1.257 152 L HN 0.816 nan 8.230 nan 0.000 0.435 153 S N 0.573 115.962 115.700 -0.518 0.000 2.607 153 S HA 0.851 5.321 4.470 -0.000 0.000 0.303 153 S C -0.697 173.393 174.600 -0.850 0.000 1.086 153 S CA -0.641 57.239 58.200 -0.534 0.000 0.995 153 S CB 1.376 64.478 63.200 -0.164 0.000 1.084 153 S HN 0.233 nan 8.310 nan 0.000 0.507 166 K N -0.573 119.710 120.400 -0.194 0.000 2.387 166 K HA 0.283 4.603 4.320 -0.000 0.000 0.197 166 K C -0.459 175.809 176.600 -0.554 0.000 1.127 166 K CA 0.119 56.139 56.287 -0.444 0.000 0.950 166 K CB 0.628 32.721 32.500 -0.678 0.000 1.017 166 K HN -0.065 nan 8.250 nan 0.000 0.519 167 F N 0.028 119.970 119.950 -0.012 0.000 2.593 167 F HA 0.603 5.130 4.527 -0.000 0.000 0.320 167 F C 0.056 175.847 175.800 -0.015 0.000 1.060 167 F CA -0.511 57.486 58.000 -0.005 0.000 0.940 167 F CB 2.299 41.294 39.000 -0.008 0.000 1.268 167 F HN 0.150 nan 8.300 nan 0.000 0.475 168 G N 0.384 109.309 108.800 0.208 0.000 3.067 168 G HA2 0.147 4.107 3.960 -0.000 0.000 0.686 168 G HA3 0.147 4.107 3.960 -0.000 0.000 0.686 168 G C -0.768 174.131 174.900 -0.002 0.000 1.119 168 G CA -1.125 44.016 45.100 0.068 0.000 0.790 168 G HN 1.327 nan 8.290 nan 0.000 0.605 169 C N 1.668 120.952 119.300 -0.027 0.000 2.347 169 C HA 0.969 5.428 4.460 -0.000 0.000 0.366 169 C C 1.467 176.392 174.990 -0.109 0.000 1.241 169 C CA 0.076 59.069 59.018 -0.041 0.000 2.360 169 C CB 0.951 28.685 27.740 -0.011 0.000 2.290 169 C HN 2.227 nan 8.230 nan 0.000 0.587 170 S N 0.765 116.415 115.700 -0.084 0.000 2.600 170 S HA 0.343 4.813 4.470 -0.000 0.000 0.265 170 S C -1.750 172.810 174.600 -0.066 0.000 1.325 170 S CA -0.448 57.694 58.200 -0.096 0.000 1.002 170 S CB 0.259 63.429 63.200 -0.050 0.000 0.921 170 S HN 0.705 nan 8.310 nan 0.000 0.554 171 P HA -0.142 nan 4.420 nan 0.000 0.216 171 P C 1.223 178.542 177.300 0.032 0.000 1.153 171 P CA 1.499 64.617 63.100 0.030 0.000 0.858 171 P CB 0.009 31.767 31.700 0.096 0.000 0.789 172 E N -0.460 119.753 120.200 0.022 0.000 2.047 172 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 172 E C 2.177 178.777 176.600 0.001 0.000 0.987 172 E CA 1.062 57.472 56.400 0.017 0.000 0.799 172 E CB -0.444 29.263 29.700 0.012 0.000 0.752 172 E HN 0.400 nan 8.360 nan 0.000 0.449 173 Q N 0.374 120.170 119.800 -0.007 0.000 2.170 173 Q HA -0.135 4.205 4.340 -0.000 0.000 0.203 173 Q C 2.161 178.153 176.000 -0.013 0.000 0.976 173 Q CA 1.330 57.126 55.803 -0.011 0.000 0.858 173 Q CB -0.177 28.554 28.738 -0.011 0.000 0.907 173 Q HN 0.231 nan 8.270 nan 0.000 0.433 174 A N 0.744 123.559 122.820 -0.009 0.000 1.972 174 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 174 A C 2.014 179.593 177.584 -0.009 0.000 1.169 174 A CA 1.077 53.111 52.037 -0.004 0.000 0.635 174 A CB -0.536 18.469 19.000 0.008 0.000 0.810 174 A HN 0.299 nan 8.150 nan 0.000 0.446 175 L N -0.624 120.594 121.223 -0.009 0.000 2.109 175 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 175 L C 2.472 179.318 176.870 -0.040 0.000 1.086 175 L CA 0.797 55.625 54.840 -0.019 0.000 0.760 175 L CB -0.583 41.470 42.059 -0.011 0.000 0.910 175 L HN 0.232 nan 8.230 nan 0.000 0.437 176 V N 0.373 120.261 119.914 -0.042 0.000 2.287 176 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 176 V C 2.331 178.365 176.094 -0.099 0.000 1.053 176 V CA 2.027 64.287 62.300 -0.067 0.000 1.027 176 V CB -0.442 31.349 31.823 -0.052 0.000 0.646 176 V HN 0.313 nan 8.190 nan 0.000 0.447 177 I N -0.357 120.170 120.570 -0.072 0.000 2.226 177 I HA -0.240 3.929 4.170 -0.000 0.000 0.245 177 I C 2.265 178.327 176.117 -0.091 0.000 1.100 177 I CA 1.784 63.038 61.300 -0.078 0.000 1.374 177 I CB -0.318 37.667 38.000 -0.024 0.000 1.057 177 I HN 0.227 nan 8.210 nan 0.000 0.413 178 I N 0.348 120.881 120.570 -0.062 0.000 2.286 178 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 178 I C 2.378 178.447 176.117 -0.080 0.000 1.115 178 I CA 1.426 62.693 61.300 -0.055 0.000 1.392 178 I CB -0.464 37.519 38.000 -0.029 0.000 1.065 178 I HN 0.249 nan 8.210 nan 0.000 0.418 179 E N 0.448 120.589 120.200 -0.098 0.000 2.072 179 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 179 E C 2.156 178.643 176.600 -0.189 0.000 0.985 179 E CA 1.758 58.090 56.400 -0.114 0.000 0.801 179 E CB -0.170 29.471 29.700 -0.099 0.000 0.750 179 E HN 0.456 nan 8.360 nan 0.000 0.452 180 T N 1.043 115.424 114.554 -0.288 0.000 2.867 180 T HA -0.092 4.257 4.350 -0.000 0.000 0.268 180 T C 2.009 176.368 174.700 -0.568 0.000 1.057 180 T CA 1.011 62.771 62.100 -0.567 0.000 1.136 180 T CB -0.141 68.302 68.868 -0.707 0.000 0.874 180 T HN 0.221 nan 8.240 nan 0.000 0.466 181 A N 1.596 124.256 122.820 -0.266 0.000 1.933 181 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 181 A C 2.273 179.848 177.584 -0.016 0.000 1.175 181 A CA 1.449 53.444 52.037 -0.070 0.000 0.628 181 A CB -0.351 18.637 19.000 -0.021 0.000 0.814 181 A HN 0.208 nan 8.150 nan 0.000 0.444 182 K N 0.468 120.832 120.400 -0.059 0.000 1.985 182 K HA -0.106 4.214 4.320 -0.000 0.000 0.210 182 K C 1.862 178.465 176.600 0.005 0.000 1.047 182 K CA 1.748 58.024 56.287 -0.018 0.000 0.932 182 K CB -0.489 31.992 32.500 -0.033 0.000 0.716 182 K HN 0.678 nan 8.250 nan 0.000 0.439 183 E N -0.953 119.211 120.200 -0.060 0.000 2.171 183 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 183 E C 1.322 178.046 176.600 0.207 0.000 0.997 183 E CA 1.106 57.507 56.400 0.002 0.000 0.810 183 E CB -0.189 29.440 29.700 -0.118 0.000 0.738 183 E HN 0.414 nan 8.360 nan 0.000 0.467 184 W N 0.361 121.673 121.300 0.021 0.000 3.278 184 W HA 0.208 4.868 4.660 -0.000 0.000 0.308 184 W C 0.070 176.604 176.519 0.025 0.000 1.253 184 W CA -0.477 56.882 57.345 0.023 0.000 1.759 184 W CB -0.772 28.707 29.460 0.031 0.000 1.093 184 W HN 0.095 nan 8.180 nan 0.000 0.648 185 N N -0.051 118.780 118.700 0.218 0.000 2.815 185 N HA -0.206 4.534 4.740 -0.000 0.000 0.248 185 N C -0.851 174.740 175.510 0.135 0.000 1.110 185 N CA 0.310 53.443 53.050 0.139 0.000 0.699 185 N CB -1.647 36.907 38.487 0.112 0.000 1.040 185 N HN -0.018 nan 8.380 nan 0.000 0.555 186 I N 0.875 121.533 120.570 0.147 0.000 2.378 186 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 186 I C 0.457 176.619 176.117 0.073 0.000 0.992 186 I CA -0.674 60.703 61.300 0.129 0.000 1.154 186 I CB 1.282 39.391 38.000 0.181 0.000 1.315 186 I HN 0.012 nan 8.210 nan 0.000 0.448 187 R N 6.049 126.584 120.500 0.058 0.000 2.442 187 R HA 0.399 4.739 4.340 -0.000 0.000 0.291 187 R C -0.766 175.543 176.300 0.015 0.000 1.069 187 R CA -0.362 55.760 56.100 0.036 0.000 1.022 187 R CB 0.543 30.867 30.300 0.040 0.000 0.976 187 R HN 0.394 nan 8.270 nan 0.000 0.443 188 I N 3.490 124.066 120.570 0.010 0.000 2.312 188 I HA 0.074 4.244 4.170 -0.000 0.000 0.290 188 I C 1.233 177.354 176.117 0.007 0.000 1.008 188 I CA -0.184 61.117 61.300 0.000 0.000 1.226 188 I CB 1.415 39.414 38.000 -0.001 0.000 1.371 188 I HN 0.736 nan 8.210 nan 0.000 0.468 189 K N 4.306 124.708 120.400 0.002 0.000 2.116 189 K HA 0.135 4.455 4.320 -0.000 0.000 0.203 189 K C 0.859 177.467 176.600 0.013 0.000 1.052 189 K CA 1.061 57.354 56.287 0.010 0.000 0.952 189 K CB 0.517 33.017 32.500 -0.000 0.000 0.729 189 K HN 0.919 nan 8.250 nan 0.000 0.446 190 G N -0.506 108.298 108.800 0.007 0.000 2.441 190 G HA2 0.231 4.191 3.960 -0.000 0.000 0.225 190 G HA3 0.231 4.191 3.960 -0.000 0.000 0.225 190 G C -1.813 173.102 174.900 0.025 0.000 1.200 190 G CA -0.861 44.250 45.100 0.019 0.000 0.947 190 G HN 0.032 nan 8.290 nan 0.000 0.484 191 L N 0.927 122.177 121.223 0.044 0.000 2.333 191 L HA 0.786 5.126 4.340 -0.000 0.000 0.269 191 L C 0.251 177.159 176.870 0.063 0.000 1.010 191 L CA -0.839 54.049 54.840 0.079 0.000 0.818 191 L CB 2.115 44.261 42.059 0.144 0.000 1.306 191 L HN 0.873 nan 8.230 nan 0.000 0.430 192 S N 1.113 116.863 115.700 0.083 0.000 2.595 192 S HA 0.873 5.343 4.470 -0.000 0.000 0.281 192 S C -1.016 173.691 174.600 0.177 0.000 1.117 192 S CA -0.620 57.589 58.200 0.015 0.000 0.873 192 S CB 2.290 65.460 63.200 -0.051 0.000 1.108 192 S HN 0.494 nan 8.310 nan 0.000 0.477 193 F N -1.045 118.975 119.950 0.117 0.000 2.662 193 F HA 0.685 5.212 4.527 -0.000 0.000 0.312 193 F C -1.023 174.857 175.800 0.132 0.000 1.113 193 F CA -0.918 57.175 58.000 0.155 0.000 0.951 193 F CB 1.254 40.464 39.000 0.351 0.000 1.344 193 F HN 0.845 nan 8.300 nan 0.000 0.462 194 H N 2.051 121.280 119.070 0.265 0.000 2.823 194 H HA 0.414 4.970 4.556 -0.000 0.000 0.332 194 H C 0.217 175.638 175.328 0.154 0.000 0.980 194 H CA -0.381 55.749 56.048 0.136 0.000 1.286 194 H CB 2.456 32.247 29.762 0.049 0.000 1.541 194 H HN 0.799 nan 8.280 nan 0.000 0.521 195 V N 2.289 122.123 119.914 -0.133 0.000 3.380 195 V HA 0.352 4.472 4.120 -0.000 0.000 0.268 195 V C 0.832 176.896 176.094 -0.050 0.000 1.168 195 V CA 0.803 63.021 62.300 -0.137 0.000 1.156 195 V CB -0.618 30.920 31.823 -0.474 0.000 0.785 195 V HN 0.935 nan 8.190 nan 0.000 0.487 196 G N -0.733 108.121 108.800 0.091 0.000 2.525 196 G HA2 0.080 4.040 3.960 -0.000 0.000 0.685 196 G HA3 0.080 4.040 3.960 -0.000 0.000 0.685 196 G C -0.613 174.396 174.900 0.182 0.000 1.285 196 G CA -0.210 45.003 45.100 0.189 0.000 0.849 196 G HN 0.552 nan 8.290 nan 0.000 0.653 197 S N -0.069 115.758 115.700 0.210 0.000 2.565 197 S HA 0.488 4.958 4.470 -0.000 0.000 0.276 197 S C 0.830 175.496 174.600 0.110 0.000 1.326 197 S CA 1.235 59.542 58.200 0.178 0.000 1.045 197 S CB 0.966 64.204 63.200 0.062 0.000 0.918 197 S HN 2.049 nan 8.310 nan 0.000 0.505 198 Q N 1.955 121.841 119.800 0.144 0.000 2.459 198 Q HA -0.155 4.184 4.340 -0.000 0.000 0.322 198 Q C -0.585 175.487 176.000 0.120 0.000 1.427 198 Q CA 0.758 56.643 55.803 0.137 0.000 0.861 198 Q CB -2.040 26.767 28.738 0.115 0.000 1.137 198 Q HN 0.665 nan 8.270 nan 0.000 0.394 199 T N 0.365 115.004 114.554 0.142 0.000 2.794 199 T HA 0.344 4.694 4.350 -0.000 0.000 0.296 199 T C 1.359 176.247 174.700 0.313 0.000 0.949 199 T CA 0.202 62.427 62.100 0.208 0.000 1.101 199 T CB 0.995 70.010 68.868 0.245 0.000 0.905 199 T HN 0.481 nan 8.240 nan 0.000 0.516 200 T N -0.401 114.325 114.554 0.287 0.000 3.040 200 T HA 0.155 4.505 4.350 -0.000 0.000 0.250 200 T C 0.590 175.528 174.700 0.396 0.000 1.058 200 T CA -0.394 61.910 62.100 0.339 0.000 0.988 200 T CB 0.028 69.013 68.868 0.194 0.000 0.993 200 T HN 0.372 nan 8.240 nan 0.000 0.519 201 N N 2.648 121.524 118.700 0.293 0.000 2.511 201 N HA 0.362 5.102 4.740 -0.000 0.000 0.249 201 N C -2.011 173.515 175.510 0.028 0.000 0.971 201 N CA -2.642 50.479 53.050 0.118 0.000 0.938 201 N CB 2.052 40.575 38.487 0.060 0.000 1.131 201 N HN -0.098 nan 8.380 nan 0.000 0.505 202 P HA -0.059 nan 4.420 nan 0.000 0.225 202 P C 0.348 177.565 177.300 -0.137 0.000 1.148 202 P CA 0.769 63.533 63.100 -0.560 0.000 0.779 202 P CB 0.465 31.537 31.700 -1.046 0.000 0.780 203 N N 0.439 119.072 118.700 -0.112 0.000 2.381 203 N HA -0.082 4.657 4.740 -0.000 0.000 0.182 203 N C 1.559 177.014 175.510 -0.091 0.000 1.025 203 N CA 0.802 53.801 53.050 -0.084 0.000 0.888 203 N CB -0.329 38.116 38.487 -0.069 0.000 0.965 203 N HN 0.307 nan 8.380 nan 0.000 0.438 204 K N -0.005 120.346 120.400 -0.081 0.000 2.063 204 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 204 K C 1.711 178.135 176.600 -0.294 0.000 1.048 204 K CA 1.191 57.367 56.287 -0.186 0.000 0.928 204 K CB -0.251 32.133 32.500 -0.194 0.000 0.713 204 K HN 0.292 nan 8.250 nan 0.000 0.442 205 Y N 0.680 120.877 120.300 -0.171 0.000 2.163 205 Y HA -0.227 4.323 4.550 -0.000 0.000 0.288 205 Y C 2.427 178.177 175.900 -0.249 0.000 1.136 205 Y CA 0.731 58.758 58.100 -0.122 0.000 1.147 205 Y CB -0.585 37.883 38.460 0.014 0.000 0.987 205 Y HN -0.210 nan 8.280 nan 0.000 0.509 206 V N 0.402 120.272 119.914 -0.074 0.000 2.252 206 V HA -0.361 3.759 4.120 -0.000 0.000 0.249 206 V C 2.271 178.152 176.094 -0.355 0.000 1.056 206 V CA 2.373 64.531 62.300 -0.237 0.000 1.022 206 V CB -0.771 30.955 31.823 -0.161 0.000 0.641 206 V HN 0.439 nan 8.190 nan 0.000 0.445 207 E N 0.499 120.540 120.200 -0.266 0.000 2.085 207 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 207 E C 2.126 178.403 176.600 -0.537 0.000 0.994 207 E CA 1.594 57.833 56.400 -0.269 0.000 0.801 207 E CB -0.366 29.186 29.700 -0.247 0.000 0.743 207 E HN 0.549 nan 8.360 nan 0.000 0.453 208 A N 0.596 122.876 122.820 -0.901 0.000 1.902 208 A HA -0.127 4.192 4.320 -0.000 0.000 0.217 208 A C 2.200 179.239 177.584 -0.909 0.000 1.181 208 A CA 1.416 52.476 52.037 -1.628 0.000 0.623 208 A CB -0.585 17.020 19.000 -2.324 0.000 0.818 208 A HN 0.368 nan 8.150 nan 0.000 0.443 209 I N -1.145 119.131 120.570 -0.490 0.000 2.252 209 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 209 I C 2.401 178.453 176.117 -0.108 0.000 1.102 209 I CA 1.189 62.402 61.300 -0.145 0.000 1.385 209 I CB -0.465 37.476 38.000 -0.098 0.000 1.064 209 I HN 0.354 nan 8.210 nan 0.000 0.414 210 H N 0.288 119.290 119.070 -0.113 0.000 2.387 210 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 210 H C 2.411 177.718 175.328 -0.033 0.000 1.099 210 H CA 1.932 57.941 56.048 -0.066 0.000 1.315 210 H CB -0.717 28.991 29.762 -0.091 0.000 1.380 210 H HN 0.313 nan 8.280 nan 0.000 0.513 211 T N -0.118 114.450 114.554 0.023 0.000 2.812 211 T HA -0.101 4.249 4.350 -0.000 0.000 0.264 211 T C 2.525 177.336 174.700 0.186 0.000 1.042 211 T CA 1.122 63.275 62.100 0.087 0.000 1.140 211 T CB -0.493 68.410 68.868 0.059 0.000 0.870 211 T HN 0.399 nan 8.240 nan 0.000 0.445 212 C N 1.278 120.670 119.300 0.152 0.000 2.429 212 C HA 0.019 4.479 4.460 -0.000 0.000 0.277 212 C C 2.884 177.971 174.990 0.161 0.000 1.262 212 C CA 0.216 59.356 59.018 0.204 0.000 1.733 212 C CB -0.948 26.948 27.740 0.259 0.000 2.010 212 C HN 0.513 nan 8.230 nan 0.000 0.483 213 R N -0.185 120.403 120.500 0.147 0.000 2.133 213 R HA -0.221 4.119 4.340 -0.000 0.000 0.245 213 R C 2.334 178.714 176.300 0.132 0.000 1.137 213 R CA 2.055 58.236 56.100 0.135 0.000 0.947 213 R CB -0.941 29.453 30.300 0.157 0.000 0.865 213 R HN 0.715 nan 8.270 nan 0.000 0.437 214 H N 0.156 119.267 119.070 0.068 0.000 2.319 214 H HA -0.102 4.454 4.556 -0.000 0.000 0.299 214 H C 2.022 177.382 175.328 0.053 0.000 1.092 214 H CA 1.984 58.063 56.048 0.051 0.000 1.302 214 H CB 0.127 29.917 29.762 0.046 0.000 1.373 214 H HN 0.016 nan 8.280 nan 0.000 0.497 215 V N 1.449 121.421 119.914 0.098 0.000 2.343 215 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 215 V C 2.889 178.973 176.094 -0.017 0.000 1.051 215 V CA 1.952 64.272 62.300 0.034 0.000 1.036 215 V CB -0.566 31.326 31.823 0.116 0.000 0.654 215 V HN 0.411 nan 8.190 nan 0.000 0.451 216 M N -0.621 118.993 119.600 0.023 0.000 2.149 216 M HA -0.231 4.249 4.480 -0.000 0.000 0.261 216 M C 2.160 178.447 176.300 -0.021 0.000 1.064 216 M CA 1.900 57.209 55.300 0.015 0.000 1.102 216 M CB -0.557 32.070 32.600 0.045 0.000 1.369 216 M HN 0.381 nan 8.290 nan 0.000 0.408 217 E N 0.066 120.233 120.200 -0.055 0.000 2.072 217 E HA -0.185 4.165 4.350 -0.000 0.000 0.190 217 E C 2.111 178.643 176.600 -0.114 0.000 0.982 217 E CA 0.910 57.263 56.400 -0.077 0.000 0.803 217 E CB -0.047 29.601 29.700 -0.088 0.000 0.755 217 E HN 0.543 nan 8.360 nan 0.000 0.453 218 Q N 0.218 119.901 119.800 -0.195 0.000 2.124 218 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 218 Q C 2.280 178.228 176.000 -0.086 0.000 0.977 218 Q CA 1.049 56.747 55.803 -0.175 0.000 0.850 218 Q CB 0.104 28.706 28.738 -0.228 0.000 0.901 218 Q HN 0.152 nan 8.270 nan 0.000 0.429 219 V N -0.199 119.677 119.914 -0.064 0.000 2.343 219 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 219 V C 2.147 178.224 176.094 -0.029 0.000 1.051 219 V CA 1.385 63.664 62.300 -0.035 0.000 1.036 219 V CB -0.287 31.525 31.823 -0.019 0.000 0.654 219 V HN 0.199 nan 8.190 nan 0.000 0.451 220 V N -0.428 119.469 119.914 -0.029 0.000 2.307 220 V HA -0.236 3.883 4.120 -0.000 0.000 0.245 220 V C 2.390 178.471 176.094 -0.022 0.000 1.045 220 V CA 1.993 64.281 62.300 -0.020 0.000 1.024 220 V CB -0.549 31.266 31.823 -0.014 0.000 0.651 220 V HN 0.601 nan 8.190 nan 0.000 0.449 221 E N -0.255 119.926 120.200 -0.032 0.000 2.204 221 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 221 E C 2.230 178.816 176.600 -0.023 0.000 0.990 221 E CA 0.726 57.109 56.400 -0.028 0.000 0.821 221 E CB -0.096 29.582 29.700 -0.036 0.000 0.750 221 E HN 0.512 nan 8.360 nan 0.000 0.477 222 R N -0.342 120.142 120.500 -0.027 0.000 2.323 222 R HA 0.024 4.364 4.340 -0.000 0.000 0.198 222 R C 0.945 177.235 176.300 -0.017 0.000 0.988 222 R CA 0.454 56.541 56.100 -0.022 0.000 1.041 222 R CB 0.222 30.506 30.300 -0.026 0.000 0.926 222 R HN 0.162 nan 8.270 nan 0.000 0.476 223 G N 1.546 110.337 108.800 -0.015 0.000 2.273 223 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.280 223 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.280 223 G C -0.037 174.857 174.900 -0.010 0.000 1.047 223 G CA 0.039 45.133 45.100 -0.010 0.000 0.869 223 G HN 0.171 nan 8.290 nan 0.000 0.502 224 L N -0.289 120.926 121.223 -0.012 0.000 2.387 224 L HA 0.533 4.873 4.340 -0.000 0.000 0.266 224 L C -1.597 175.270 176.870 -0.005 0.000 1.059 224 L CA -2.532 52.301 54.840 -0.011 0.000 0.801 224 L CB 0.787 42.836 42.059 -0.017 0.000 1.223 224 L HN -0.109 nan 8.230 nan 0.000 0.456 225 P HA 0.053 nan 4.420 nan 0.000 0.264 225 P C -0.774 176.530 177.300 0.006 0.000 1.193 225 P CA -0.221 62.882 63.100 0.006 0.000 0.763 225 P CB 0.504 32.210 31.700 0.010 0.000 0.810 226 A N 4.427 127.252 122.820 0.009 0.000 2.498 226 A HA 0.180 4.500 4.320 -0.000 0.000 0.239 226 A C 0.242 177.836 177.584 0.018 0.000 1.068 226 A CA -0.186 51.858 52.037 0.012 0.000 0.766 226 A CB -0.462 18.546 19.000 0.013 0.000 1.003 226 A HN 0.536 nan 8.150 nan 0.000 0.497 227 L N 2.770 124.006 121.223 0.021 0.000 2.349 227 L HA 0.204 4.544 4.340 -0.000 0.000 0.275 227 L C 1.510 178.402 176.870 0.037 0.000 1.115 227 L CA 0.145 55.002 54.840 0.028 0.000 0.820 227 L CB 1.284 43.362 42.059 0.032 0.000 1.135 227 L HN 0.983 nan 8.230 nan 0.000 0.445 228 S N -0.113 115.612 115.700 0.041 0.000 2.486 228 S HA 0.074 4.544 4.470 -0.000 0.000 0.220 228 S C 0.719 175.362 174.600 0.073 0.000 1.011 228 S CA -0.111 58.121 58.200 0.055 0.000 0.921 228 S CB 0.278 63.511 63.200 0.055 0.000 0.785 228 S HN 0.662 nan 8.310 nan 0.000 0.517 229 T N 2.401 116.986 114.554 0.052 0.000 2.861 229 T HA 0.658 5.008 4.350 -0.000 0.000 0.287 229 T C -1.692 173.017 174.700 0.016 0.000 1.003 229 T CA -0.496 61.622 62.100 0.031 0.000 0.977 229 T CB 1.896 70.764 68.868 0.000 0.000 0.996 229 T HN 0.206 nan 8.240 nan 0.000 0.448 230 L N 3.283 124.505 121.223 -0.001 0.000 2.349 230 L HA 0.629 4.969 4.340 -0.000 0.000 0.278 230 L C -1.173 175.647 176.870 -0.083 0.000 0.996 230 L CA -0.502 54.340 54.840 0.003 0.000 0.825 230 L CB 1.504 43.602 42.059 0.064 0.000 1.243 230 L HN 0.526 nan 8.230 nan 0.000 0.412 231 D N 4.681 124.997 120.400 -0.139 0.000 2.441 231 D HA 0.217 4.857 4.640 -0.000 0.000 0.231 231 D C 0.885 176.902 176.300 -0.473 0.000 1.073 231 D CA -0.380 53.483 54.000 -0.228 0.000 0.850 231 D CB 0.872 41.554 40.800 -0.197 0.000 1.062 231 D HN 0.611 nan 8.370 nan 0.000 0.524 232 I N 1.184 121.488 120.570 -0.443 0.000 3.646 232 I HA 0.359 4.529 4.170 -0.000 0.000 0.301 232 I C 1.115 176.893 176.117 -0.565 0.000 1.276 232 I CA -0.091 60.743 61.300 -0.777 0.000 1.254 232 I CB -0.489 37.449 38.000 -0.103 0.000 1.020 232 I HN 0.423 nan 8.210 nan 0.000 0.473 233 G N 0.977 109.578 108.800 -0.332 0.000 2.601 233 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.261 233 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.261 233 G C 0.137 175.031 174.900 -0.010 0.000 1.289 233 G CA -0.289 44.747 45.100 -0.106 0.000 0.920 233 G HN 0.778 nan 8.290 nan 0.000 0.571 234 G N -2.974 105.778 108.800 -0.079 0.000 2.940 234 G HA2 0.694 4.654 3.960 -0.000 0.000 0.164 234 G HA3 0.694 4.654 3.960 -0.000 0.000 0.164 234 G C 1.430 176.030 174.900 -0.500 0.000 1.326 234 G CA 1.176 46.251 45.100 -0.041 0.000 1.020 234 G HN 2.609 nan 8.290 nan 0.000 0.586 235 G N -1.976 106.733 108.800 -0.152 0.000 2.179 235 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.220 235 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.220 235 G C 0.276 175.127 174.900 -0.082 0.000 0.990 235 G CA 0.061 45.105 45.100 -0.095 0.000 0.646 235 G HN 0.630 nan 8.290 nan 0.000 0.517 236 F N 2.935 122.955 119.950 0.116 0.000 2.623 236 F HA 0.377 4.904 4.527 -0.000 0.000 0.383 236 F C -0.924 174.857 175.800 -0.033 0.000 1.077 236 F CA -1.107 56.780 58.000 -0.189 0.000 1.268 236 F CB 0.114 38.893 39.000 -0.369 0.000 1.053 236 F HN -0.018 nan 8.300 nan 0.000 0.571 237 P HA 0.384 nan 4.420 nan 0.000 0.284 237 P C -0.963 176.459 177.300 0.203 0.000 1.258 237 P CA -0.405 62.743 63.100 0.081 0.000 0.824 237 P CB 1.931 33.609 31.700 -0.036 0.000 1.038 238 V N -0.835 119.183 119.914 0.173 0.000 3.046 238 V HA 0.579 4.699 4.120 -0.000 0.000 0.316 238 V C -0.144 175.930 176.094 -0.032 0.000 1.104 238 V CA -1.192 61.105 62.300 -0.004 0.000 1.006 238 V CB 1.550 33.252 31.823 -0.203 0.000 1.058 238 V HN 0.300 nan 8.190 nan 0.000 0.440 239 N N 1.668 120.293 118.700 -0.125 0.000 2.452 239 N HA 0.337 5.077 4.740 -0.000 0.000 0.266 239 N C -0.564 174.799 175.510 -0.245 0.000 1.175 239 N CA 0.264 53.263 53.050 -0.085 0.000 0.945 239 N CB 0.655 39.101 38.487 -0.068 0.000 1.063 239 N HN 0.824 nan 8.380 nan 0.000 0.472 240 Y N 0.484 120.802 120.300 0.030 0.000 2.776 240 Y HA 0.064 4.614 4.550 -0.000 0.000 0.151 240 Y C 2.371 178.288 175.900 0.029 0.000 0.896 240 Y CA 0.225 58.348 58.100 0.037 0.000 1.592 240 Y CB -0.436 38.028 38.460 0.006 0.000 1.111 240 Y HN 0.497 nan 8.280 nan 0.000 0.408 241 T N -1.849 112.827 114.554 0.203 0.000 3.057 241 T HA 0.173 4.522 4.350 -0.000 0.000 0.254 241 T C 0.185 174.932 174.700 0.078 0.000 1.094 241 T CA 0.129 62.293 62.100 0.106 0.000 1.088 241 T CB -0.079 68.835 68.868 0.077 0.000 0.934 241 T HN 0.212 nan 8.240 nan 0.000 0.497 242 Q N 1.486 121.341 119.800 0.092 0.000 2.322 242 Q HA 0.344 4.684 4.340 -0.000 0.000 0.265 242 Q C -0.663 175.384 176.000 0.077 0.000 0.985 242 Q CA -0.684 55.161 55.803 0.071 0.000 0.849 242 Q CB 1.767 30.543 28.738 0.062 0.000 1.274 242 Q HN 0.284 nan 8.270 nan 0.000 0.449 243 Q N 2.018 121.853 119.800 0.058 0.000 2.286 243 Q HA 0.080 4.420 4.340 -0.000 0.000 0.290 243 Q C -0.104 175.940 176.000 0.073 0.000 1.049 243 Q CA 0.220 56.056 55.803 0.056 0.000 0.923 243 Q CB 0.904 29.669 28.738 0.044 0.000 1.183 243 Q HN 0.546 nan 8.270 nan 0.000 0.383 244 V N 0.785 120.747 119.914 0.080 0.000 3.096 244 V HA 0.472 4.592 4.120 -0.000 0.000 0.319 244 V C 0.334 176.496 176.094 0.113 0.000 1.082 244 V CA -1.165 61.198 62.300 0.105 0.000 1.022 244 V CB 1.481 33.370 31.823 0.110 0.000 1.103 244 V HN 0.853 nan 8.190 nan 0.000 0.455 245 M N 3.111 122.808 119.600 0.162 0.000 2.284 245 M HA 0.255 4.735 4.480 -0.000 0.000 0.351 245 M C -2.135 174.265 176.300 0.167 0.000 1.443 245 M CA -1.029 54.383 55.300 0.186 0.000 1.031 245 M CB 0.516 33.300 32.600 0.307 0.000 1.893 245 M HN 0.616 nan 8.290 nan 0.000 0.456 246 P HA -0.075 nan 4.420 nan 0.000 0.266 246 P C 0.430 177.812 177.300 0.137 0.000 1.193 246 P CA 0.039 63.207 63.100 0.113 0.000 0.770 246 P CB 0.391 32.139 31.700 0.079 0.000 0.836 247 I N 2.143 122.785 120.570 0.120 0.000 2.361 247 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 247 I C 1.370 177.512 176.117 0.041 0.000 1.133 247 I CA 1.763 63.090 61.300 0.045 0.000 1.413 247 I CB -0.516 37.438 38.000 -0.077 0.000 1.073 247 I HN 0.241 nan 8.210 nan 0.000 0.424 248 D N 0.087 120.507 120.400 0.033 0.000 2.084 248 D HA -0.201 4.439 4.640 -0.000 0.000 0.194 248 D C 2.214 178.532 176.300 0.030 0.000 0.990 248 D CA 1.394 55.400 54.000 0.010 0.000 0.826 248 D CB -0.304 40.499 40.800 0.005 0.000 0.971 248 D HN 0.491 nan 8.370 nan 0.000 0.453 249 Q N -0.613 119.221 119.800 0.057 0.000 2.084 249 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 249 Q C 2.169 178.206 176.000 0.063 0.000 0.978 249 Q CA 0.752 56.585 55.803 0.051 0.000 0.844 249 Q CB -0.282 28.492 28.738 0.061 0.000 0.898 249 Q HN 0.298 nan 8.270 nan 0.000 0.426 250 F N 0.751 120.688 119.950 -0.020 0.000 2.095 250 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 250 F C 1.998 177.759 175.800 -0.065 0.000 1.104 250 F CA 1.298 59.284 58.000 -0.023 0.000 1.232 250 F CB -0.105 38.892 39.000 -0.004 0.000 0.987 250 F HN 0.054 nan 8.300 nan 0.000 0.475 251 C N 0.140 119.510 119.300 0.117 0.000 2.514 251 C HA 0.219 4.678 4.460 -0.000 0.000 0.271 251 C C 2.981 177.928 174.990 -0.072 0.000 1.399 251 C CA 0.404 59.420 59.018 -0.004 0.000 1.765 251 C CB -1.771 25.943 27.740 -0.044 0.000 1.893 251 C HN 0.628 nan 8.230 nan 0.000 0.531 252 A N 2.751 125.535 122.820 -0.060 0.000 1.873 252 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 252 A C 0.378 177.920 177.584 -0.071 0.000 1.193 252 A CA 2.193 54.196 52.037 -0.057 0.000 0.629 252 A CB -1.829 17.148 19.000 -0.039 0.000 0.826 252 A HN 0.503 nan 8.150 nan 0.000 0.447 253 P HA -0.024 nan 4.420 nan 0.000 0.233 253 P C 1.338 178.577 177.300 -0.101 0.000 1.167 253 P CA 0.708 63.753 63.100 -0.092 0.000 0.770 253 P CB -0.126 31.509 31.700 -0.109 0.000 0.837 254 I N 0.127 120.626 120.570 -0.118 0.000 2.233 254 I HA -0.210 3.960 4.170 -0.000 0.000 0.243 254 I C 2.079 178.161 176.117 -0.058 0.000 1.093 254 I CA 1.358 62.604 61.300 -0.090 0.000 1.380 254 I CB -0.896 37.045 38.000 -0.099 0.000 1.067 254 I HN -0.056 nan 8.210 nan 0.000 0.413 255 N N 0.546 119.213 118.700 -0.055 0.000 2.104 255 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 255 N C 1.849 177.344 175.510 -0.026 0.000 1.024 255 N CA 1.004 54.031 53.050 -0.038 0.000 0.853 255 N CB -0.032 38.431 38.487 -0.041 0.000 1.008 255 N HN 0.267 nan 8.380 nan 0.000 0.424 256 E N 0.941 121.124 120.200 -0.028 0.000 2.049 256 E HA -0.220 4.130 4.350 -0.000 0.000 0.198 256 E C 2.087 178.687 176.600 0.000 0.000 1.007 256 E CA 1.249 57.643 56.400 -0.010 0.000 0.809 256 E CB -0.321 29.374 29.700 -0.008 0.000 0.749 256 E HN 0.413 nan 8.360 nan 0.000 0.450 257 A N 0.934 123.728 122.820 -0.044 0.000 1.902 257 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 257 A C 2.407 179.967 177.584 -0.040 0.000 1.181 257 A CA 1.184 53.158 52.037 -0.106 0.000 0.623 257 A CB -0.683 18.119 19.000 -0.330 0.000 0.818 257 A HN 0.212 nan 8.150 nan 0.000 0.443 258 L N 0.497 121.708 121.223 -0.021 0.000 2.141 258 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 258 L C 2.787 179.671 176.870 0.024 0.000 1.094 258 L CA 1.375 56.222 54.840 0.012 0.000 0.763 258 L CB -0.431 41.637 42.059 0.014 0.000 0.908 258 L HN 0.599 nan 8.230 nan 0.000 0.437 259 S N -0.397 115.314 115.700 0.019 0.000 2.547 259 S HA -0.056 4.414 4.470 -0.000 0.000 0.235 259 S C 1.642 176.263 174.600 0.035 0.000 0.980 259 S CA 0.577 58.791 58.200 0.023 0.000 0.941 259 S CB -0.371 62.838 63.200 0.015 0.000 0.763 259 S HN 0.433 nan 8.310 nan 0.000 0.532 260 L N 0.361 121.615 121.223 0.050 0.000 2.592 260 L HA 0.386 4.726 4.340 -0.000 0.000 0.227 260 L C 0.501 177.408 176.870 0.063 0.000 1.127 260 L CA -0.045 54.834 54.840 0.065 0.000 0.884 260 L CB -0.127 41.995 42.059 0.106 0.000 1.065 260 L HN 0.272 nan 8.230 nan 0.000 0.457 261 L N 0.216 121.473 121.223 0.057 0.000 2.399 261 L HA 0.299 4.639 4.340 -0.000 0.000 0.266 261 L C -1.924 174.973 176.870 0.046 0.000 1.114 261 L CA -2.018 52.856 54.840 0.057 0.000 0.804 261 L CB 0.288 42.383 42.059 0.059 0.000 1.146 261 L HN -0.214 nan 8.230 nan 0.000 0.451 262 P HA -0.038 nan 4.420 nan 0.000 0.264 262 P C -0.110 177.212 177.300 0.036 0.000 1.183 262 P CA 0.057 63.178 63.100 0.035 0.000 0.763 262 P CB 0.517 32.236 31.700 0.033 0.000 0.807 263 E N 0.614 120.831 120.200 0.029 0.000 2.472 263 E HA -0.093 4.257 4.350 -0.000 0.000 0.200 263 E C 1.693 178.309 176.600 0.027 0.000 1.046 263 E CA 0.974 57.391 56.400 0.027 0.000 0.871 263 E CB -0.703 29.008 29.700 0.018 0.000 0.806 263 E HN 0.384 nan 8.360 nan 0.000 0.533 264 T N -0.575 113.996 114.554 0.028 0.000 2.867 264 T HA -0.032 4.318 4.350 -0.000 0.000 0.268 264 T C 0.553 175.282 174.700 0.048 0.000 1.057 264 T CA 0.376 62.494 62.100 0.029 0.000 1.136 264 T CB 0.115 68.999 68.868 0.026 0.000 0.874 264 T HN -0.100 nan 8.240 nan 0.000 0.466 265 V N 2.256 122.206 119.914 0.061 0.000 2.508 265 V HA 0.125 4.245 4.120 -0.000 0.000 0.281 265 V C 0.242 176.418 176.094 0.136 0.000 1.041 265 V CA -0.474 61.877 62.300 0.085 0.000 1.016 265 V CB 0.482 32.348 31.823 0.072 0.000 0.984 265 V HN 0.466 nan 8.190 nan 0.000 0.478 266 H N 4.171 123.255 119.070 0.022 0.000 2.580 266 H HA 0.483 5.039 4.556 -0.000 0.000 0.322 266 H C -0.894 174.448 175.328 0.024 0.000 1.082 266 H CA -0.763 55.299 56.048 0.023 0.000 1.383 266 H CB 1.385 31.163 29.762 0.026 0.000 1.450 266 H HN 0.464 nan 8.280 nan 0.000 0.505 267 V N 7.589 127.523 119.914 0.033 0.000 2.398 267 V HA 0.238 4.358 4.120 -0.000 0.000 0.286 267 V C 0.074 176.031 176.094 -0.228 0.000 1.026 267 V CA -0.619 61.631 62.300 -0.082 0.000 0.868 267 V CB 1.294 33.120 31.823 0.006 0.000 0.982 267 V HN 0.585 nan 8.190 nan 0.000 0.443 268 L N 3.809 124.902 121.223 -0.218 0.000 2.319 268 L HA 0.990 5.330 4.340 -0.000 0.000 0.267 268 L C 0.090 176.920 176.870 -0.066 0.000 1.011 268 L CA -0.625 54.120 54.840 -0.159 0.000 0.818 268 L CB 1.978 43.896 42.059 -0.236 0.000 1.316 268 L HN 0.733 nan 8.230 nan 0.000 0.432 269 A N 0.963 123.800 122.820 0.029 0.000 2.527 269 A HA 0.686 5.006 4.320 -0.000 0.000 0.293 269 A C -0.888 176.786 177.584 0.149 0.000 1.117 269 A CA -0.508 51.587 52.037 0.098 0.000 0.723 269 A CB 1.669 20.762 19.000 0.153 0.000 1.313 269 A HN 0.791 nan 8.150 nan 0.000 0.411 270 E N 1.464 121.783 120.200 0.199 0.000 3.659 270 E HA 0.224 4.574 4.350 -0.000 0.000 0.217 270 E C -2.621 174.142 176.600 0.272 0.000 1.141 270 E CA -1.630 54.883 56.400 0.190 0.000 1.340 270 E CB 0.766 30.537 29.700 0.119 0.000 1.295 270 E HN 0.447 nan 8.360 nan 0.000 0.434 271 P HA -0.007 nan 4.420 nan 0.000 0.267 271 P C 0.257 177.742 177.300 0.309 0.000 1.205 271 P CA 0.375 63.722 63.100 0.412 0.000 0.765 271 P CB 1.912 33.798 31.700 0.310 0.000 0.828 272 G N 3.611 112.588 108.800 0.295 0.000 2.534 272 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.220 272 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.220 272 G C 1.410 176.488 174.900 0.297 0.000 1.699 272 G CA -0.073 45.124 45.100 0.161 0.000 0.769 272 G HN 0.437 nan 8.290 nan 0.000 0.632 273 R N -0.530 120.142 120.500 0.287 0.000 2.119 273 R HA -0.168 4.172 4.340 -0.000 0.000 0.246 273 R C 2.257 178.716 176.300 0.264 0.000 1.146 273 R CA 1.973 58.242 56.100 0.283 0.000 0.962 273 R CB -0.582 29.975 30.300 0.428 0.000 0.863 273 R HN 0.305 nan 8.270 nan 0.000 0.442 274 F N 0.830 120.900 119.950 0.200 0.000 2.202 274 F HA -0.156 4.371 4.527 -0.000 0.000 0.301 274 F C 1.921 177.768 175.800 0.078 0.000 1.082 274 F CA 1.542 59.615 58.000 0.122 0.000 1.313 274 F CB 0.006 39.081 39.000 0.125 0.000 1.024 274 F HN 0.018 nan 8.300 nan 0.000 0.495 275 I N -0.721 120.014 120.570 0.274 0.000 2.400 275 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 275 I C 2.494 178.615 176.117 0.007 0.000 1.109 275 I CA 1.103 62.490 61.300 0.145 0.000 1.425 275 I CB -0.443 37.703 38.000 0.243 0.000 1.094 275 I HN 0.383 nan 8.210 nan 0.000 0.425 276 C N -0.226 119.123 119.300 0.082 0.000 2.527 276 C HA 0.364 4.824 4.460 -0.000 0.000 0.280 276 C C 2.982 177.943 174.990 -0.048 0.000 1.353 276 C CA -0.059 58.966 59.018 0.011 0.000 1.749 276 C CB -0.942 26.861 27.740 0.105 0.000 2.088 276 C HN 0.391 nan 8.230 nan 0.000 0.508 277 A N 2.891 125.692 122.820 -0.032 0.000 1.883 277 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 277 A C 0.192 177.697 177.584 -0.131 0.000 1.186 277 A CA 2.226 54.237 52.037 -0.043 0.000 0.624 277 A CB -1.871 17.144 19.000 0.026 0.000 0.822 277 A HN 0.568 nan 8.150 nan 0.000 0.444 278 P HA 0.114 nan 4.420 nan 0.000 0.237 278 P C 0.984 178.187 177.300 -0.161 0.000 1.178 278 P CA 1.151 64.127 63.100 -0.207 0.000 0.766 278 P CB 0.082 31.624 31.700 -0.264 0.000 0.876 279 A N -1.020 121.710 122.820 -0.149 0.000 2.218 279 A HA 0.175 4.495 4.320 -0.000 0.000 0.209 279 A C 0.753 178.253 177.584 -0.140 0.000 1.168 279 A CA 0.562 52.514 52.037 -0.142 0.000 0.804 279 A CB -0.213 18.699 19.000 -0.147 0.000 0.834 279 A HN 0.051 nan 8.150 nan 0.000 0.482 280 V N 0.204 120.037 119.914 -0.135 0.000 2.604 280 V HA 0.494 4.613 4.120 -0.000 0.000 0.305 280 V C -0.483 175.534 176.094 -0.128 0.000 1.043 280 V CA -0.410 61.807 62.300 -0.139 0.000 0.888 280 V CB 1.894 33.628 31.823 -0.147 0.000 0.995 280 V HN 0.196 nan 8.190 nan 0.000 0.429 281 T N 2.713 117.197 114.554 -0.116 0.000 2.841 281 T HA 0.457 4.807 4.350 -0.000 0.000 0.285 281 T C -0.091 174.553 174.700 -0.094 0.000 0.991 281 T CA -0.515 61.529 62.100 -0.093 0.000 0.966 281 T CB 1.485 70.314 68.868 -0.066 0.000 0.962 281 T HN 0.854 nan 8.240 nan 0.000 0.438 282 S N 1.957 117.597 115.700 -0.099 0.000 2.585 282 S HA 0.750 5.220 4.470 -0.000 0.000 0.277 282 S C -0.365 174.234 174.600 -0.002 0.000 1.241 282 S CA -0.679 57.469 58.200 -0.086 0.000 1.041 282 S CB 0.950 64.039 63.200 -0.184 0.000 0.987 282 S HN 0.471 nan 8.310 nan 0.000 0.512 283 V N 1.567 121.491 119.914 0.016 0.000 2.525 283 V HA 0.807 4.927 4.120 -0.000 0.000 0.299 283 V C 0.125 176.258 176.094 0.065 0.000 1.034 283 V CA -0.508 61.815 62.300 0.038 0.000 0.863 283 V CB 0.873 32.709 31.823 0.023 0.000 0.999 283 V HN 1.267 nan 8.190 nan 0.000 0.423 284 A N 3.523 126.390 122.820 0.078 0.000 2.384 284 A HA 1.016 5.336 4.320 -0.000 0.000 0.312 284 A C -0.122 177.488 177.584 0.043 0.000 1.113 284 A CA -0.362 51.722 52.037 0.079 0.000 0.779 284 A CB 2.092 21.159 19.000 0.112 0.000 1.307 284 A HN 1.169 nan 8.150 nan 0.000 0.436 285 S N -0.192 115.535 115.700 0.046 0.000 2.566 285 S HA 0.630 5.099 4.470 -0.000 0.000 0.298 285 S C -0.695 173.933 174.600 0.045 0.000 1.083 285 S CA -0.640 57.581 58.200 0.034 0.000 0.978 285 S CB 1.299 64.525 63.200 0.044 0.000 1.073 285 S HN 0.947 nan 8.310 nan 0.000 0.491 286 V N 4.312 124.248 119.914 0.037 0.000 2.415 286 V HA 0.101 4.221 4.120 -0.000 0.000 0.267 286 V C 1.212 177.381 176.094 0.125 0.000 1.042 286 V CA 0.082 62.435 62.300 0.089 0.000 1.000 286 V CB -0.129 31.739 31.823 0.076 0.000 1.015 286 V HN 0.982 nan 8.190 nan 0.000 0.478 287 M N 3.375 123.069 119.600 0.157 0.000 2.334 287 M HA 0.244 4.723 4.480 -0.000 0.000 0.266 287 M C 0.986 177.385 176.300 0.165 0.000 1.082 287 M CA 1.123 56.513 55.300 0.151 0.000 1.141 287 M CB 0.169 32.861 32.600 0.154 0.000 1.380 287 M HN 0.774 nan 8.290 nan 0.000 0.440 288 G N 0.347 109.292 108.800 0.242 0.000 2.506 288 G HA2 0.558 4.518 3.960 -0.000 0.000 0.292 288 G HA3 0.558 4.518 3.960 -0.000 0.000 0.292 288 G C -2.043 173.102 174.900 0.409 0.000 1.425 288 G CA -0.745 44.504 45.100 0.250 0.000 0.788 288 G HN 0.315 nan 8.290 nan 0.000 0.490 289 Q N -1.574 118.429 119.800 0.339 0.000 2.594 289 Q HA 0.730 5.070 4.340 -0.000 0.000 0.278 289 Q C -1.265 174.849 176.000 0.190 0.000 0.961 289 Q CA -1.006 54.961 55.803 0.272 0.000 0.844 289 Q CB 1.792 30.612 28.738 0.136 0.000 1.475 289 Q HN 2.042 nan 8.270 nan 0.000 0.389 290 A N 1.176 124.084 122.820 0.147 0.000 2.574 290 A HA 0.558 4.878 4.320 -0.000 0.000 0.297 290 A C -1.508 176.097 177.584 0.036 0.000 1.062 290 A CA -0.810 51.278 52.037 0.084 0.000 0.686 290 A CB 1.788 20.849 19.000 0.101 0.000 1.285 290 A HN 0.702 nan 8.150 nan 0.000 0.403 291 E N 1.321 121.530 120.200 0.014 0.000 2.180 291 E HA 0.388 4.738 4.350 -0.000 0.000 0.283 291 E C -0.556 176.054 176.600 0.016 0.000 1.061 291 E CA 0.026 56.441 56.400 0.024 0.000 0.861 291 E CB 0.758 30.466 29.700 0.013 0.000 1.056 291 E HN 0.430 nan 8.360 nan 0.000 0.407 292 R N 3.021 123.557 120.500 0.059 0.000 2.439 292 R HA 0.171 4.511 4.340 -0.000 0.000 0.310 292 R C -0.624 175.724 176.300 0.080 0.000 0.955 292 R CA -0.764 55.315 56.100 -0.034 0.000 0.853 292 R CB 1.354 31.432 30.300 -0.369 0.000 1.171 292 R HN 0.511 nan 8.270 nan 0.000 0.449 293 E N 1.574 121.796 120.200 0.036 0.000 2.183 293 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 293 E C 0.477 177.124 176.600 0.078 0.000 1.364 293 E CA 0.965 57.398 56.400 0.055 0.000 0.700 293 E CB -1.055 28.683 29.700 0.063 0.000 1.106 293 E HN 1.190 nan 8.360 nan 0.000 0.347 294 G N 0.420 109.255 108.800 0.059 0.000 2.148 294 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.254 294 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.254 294 G C 0.071 175.003 174.900 0.052 0.000 0.981 294 G CA 0.849 45.977 45.100 0.047 0.000 0.670 294 G HN 0.407 nan 8.290 nan 0.000 0.528 295 Q N -0.967 118.886 119.800 0.089 0.000 2.389 295 Q HA 0.613 4.953 4.340 -0.000 0.000 0.277 295 Q C -0.165 175.883 176.000 0.080 0.000 1.082 295 Q CA -0.992 54.847 55.803 0.061 0.000 0.810 295 Q CB 2.108 30.866 28.738 0.034 0.000 1.374 295 Q HN 0.304 nan 8.270 nan 0.000 0.422 296 I N 1.675 122.217 120.570 -0.047 0.000 2.379 296 I HA 0.147 4.317 4.170 -0.000 0.000 0.290 296 I C -0.758 175.156 176.117 -0.338 0.000 1.063 296 I CA -0.166 61.020 61.300 -0.190 0.000 1.351 296 I CB 0.294 38.096 38.000 -0.329 0.000 1.410 296 I HN 0.410 nan 8.210 nan 0.000 0.505 297 W N 6.756 127.780 121.300 -0.461 0.000 2.331 297 W HA 0.322 4.982 4.660 -0.000 0.000 0.306 297 W C -0.555 175.540 176.519 -0.706 0.000 1.162 297 W CA -0.136 56.893 57.345 -0.526 0.000 1.232 297 W CB 0.292 29.481 29.460 -0.452 0.000 1.235 297 W HN 0.273 nan 8.180 nan 0.000 0.479 298 Y N 3.317 123.494 120.300 -0.205 0.000 2.331 298 Y HA 0.292 4.842 4.550 -0.000 0.000 0.338 298 Y C -0.546 175.199 175.900 -0.260 0.000 0.976 298 Y CA -1.421 56.594 58.100 -0.142 0.000 1.137 298 Y CB 0.451 38.861 38.460 -0.084 0.000 1.172 298 Y HN 0.244 nan 8.280 nan 0.000 0.478 299 Y N 4.139 124.569 120.300 0.216 0.000 2.425 299 Y HA 0.406 4.956 4.550 -0.000 0.000 0.347 299 Y C 0.034 175.988 175.900 0.090 0.000 0.976 299 Y CA -0.553 57.632 58.100 0.141 0.000 1.190 299 Y CB 0.277 38.812 38.460 0.125 0.000 1.136 299 Y HN 0.408 nan 8.280 nan 0.000 0.517 300 L N 2.906 124.206 121.223 0.128 0.000 2.431 300 L HA 0.308 4.648 4.340 -0.000 0.000 0.260 300 L C 0.635 177.517 176.870 0.019 0.000 1.098 300 L CA -0.820 54.057 54.840 0.062 0.000 0.800 300 L CB 0.932 42.992 42.059 0.002 0.000 1.210 300 L HN 0.570 nan 8.230 nan 0.000 0.465 301 D N -2.135 118.275 120.400 0.018 0.000 2.325 301 D HA 0.079 4.719 4.640 -0.000 0.000 0.225 301 D C -0.248 176.035 176.300 -0.027 0.000 1.096 301 D CA 0.027 54.008 54.000 -0.032 0.000 0.844 301 D CB 0.066 40.902 40.800 0.060 0.000 0.925 301 D HN 0.277 nan 8.370 nan 0.000 0.513 302 D N -1.260 119.160 120.400 0.034 0.000 2.645 302 D HA 0.670 5.310 4.640 -0.000 0.000 0.228 302 D C -0.074 176.326 176.300 0.166 0.000 1.148 302 D CA -0.622 53.461 54.000 0.137 0.000 0.860 302 D CB 2.193 43.140 40.800 0.244 0.000 1.548 302 D HN 0.101 nan 8.370 nan 0.000 0.460 303 G N 0.471 109.429 108.800 0.263 0.000 2.604 303 G HA2 0.189 4.149 3.960 -0.000 0.000 0.242 303 G HA3 0.189 4.149 3.960 -0.000 0.000 0.242 303 G C 0.711 175.799 174.900 0.314 0.000 1.208 303 G CA -0.050 45.184 45.100 0.224 0.000 0.912 303 G HN 0.535 nan 8.290 nan 0.000 0.502 304 I N -1.988 118.687 120.570 0.175 0.000 2.830 304 I HA 0.191 4.361 4.170 -0.000 0.000 0.263 304 I C 1.571 177.645 176.117 -0.071 0.000 1.230 304 I CA 1.100 62.425 61.300 0.042 0.000 1.480 304 I CB -0.106 37.805 38.000 -0.148 0.000 1.095 304 I HN 0.311 nan 8.210 nan 0.000 0.455 305 Y N 1.758 122.174 120.300 0.193 0.000 2.466 305 Y HA 0.432 4.981 4.550 -0.000 0.000 0.272 305 Y C 1.874 177.908 175.900 0.223 0.000 1.169 305 Y CA 0.168 58.402 58.100 0.223 0.000 1.285 305 Y CB 0.184 38.830 38.460 0.309 0.000 1.078 305 Y HN 0.237 nan 8.280 nan 0.000 0.523 306 G N -1.273 107.713 108.800 0.309 0.000 3.414 306 G HA2 0.067 4.026 3.960 -0.000 0.000 0.189 306 G HA3 0.067 4.026 3.960 -0.000 0.000 0.189 306 G C 1.106 176.097 174.900 0.152 0.000 1.329 306 G CA 0.075 45.314 45.100 0.232 0.000 0.851 306 G HN 0.018 nan 8.290 nan 0.000 0.671 307 S N 0.106 115.846 115.700 0.066 0.000 2.447 307 S HA 0.029 4.499 4.470 -0.000 0.000 0.233 307 S C 1.364 175.753 174.600 -0.352 0.000 1.006 307 S CA 0.898 58.986 58.200 -0.187 0.000 0.957 307 S CB -0.276 62.694 63.200 -0.384 0.000 0.773 307 S HN 0.320 nan 8.310 nan 0.000 0.507 308 F N 1.774 121.752 119.950 0.046 0.000 2.645 308 F HA 0.167 4.694 4.527 -0.000 0.000 0.300 308 F C 2.033 177.904 175.800 0.119 0.000 1.115 308 F CA -0.267 57.789 58.000 0.092 0.000 1.355 308 F CB -0.410 38.640 39.000 0.083 0.000 1.026 308 F HN 0.135 nan 8.300 nan 0.000 0.536 309 S N -0.757 115.072 115.700 0.215 0.000 2.442 309 S HA -0.129 4.341 4.470 -0.000 0.000 0.236 309 S C 2.452 177.201 174.600 0.250 0.000 1.007 309 S CA 0.946 59.266 58.200 0.199 0.000 0.965 309 S CB -0.992 62.390 63.200 0.304 0.000 0.773 309 S HN 0.427 nan 8.310 nan 0.000 0.504 310 G N 2.292 111.271 108.800 0.299 0.000 2.475 310 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.220 310 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.220 310 G C 1.328 176.336 174.900 0.181 0.000 1.125 310 G CA 0.929 46.218 45.100 0.314 0.000 0.755 310 G HN 0.545 nan 8.290 nan 0.000 0.565 311 L N -0.434 120.906 121.223 0.195 0.000 2.187 311 L HA -0.089 4.251 4.340 -0.000 0.000 0.213 311 L C 2.956 179.794 176.870 -0.053 0.000 1.100 311 L CA 0.778 55.651 54.840 0.055 0.000 0.765 311 L CB -0.297 41.820 42.059 0.096 0.000 0.904 311 L HN 0.212 nan 8.230 nan 0.000 0.437 312 M N -1.833 117.704 119.600 -0.106 0.000 2.556 312 M HA 0.032 4.512 4.480 -0.000 0.000 0.259 312 M C 2.066 178.191 176.300 -0.292 0.000 1.175 312 M CA 1.485 56.607 55.300 -0.296 0.000 1.202 312 M CB -0.664 31.602 32.600 -0.557 0.000 1.298 312 M HN 0.069 nan 8.290 nan 0.000 0.492 313 F N 0.195 120.132 119.950 -0.021 0.000 2.569 313 F HA -0.006 4.521 4.527 -0.000 0.000 0.295 313 F C 1.516 177.280 175.800 -0.060 0.000 1.115 313 F CA 0.711 58.692 58.000 -0.031 0.000 1.450 313 F CB -0.236 38.762 39.000 -0.004 0.000 1.107 313 F HN 0.187 nan 8.300 nan 0.000 0.563 314 D N -0.741 119.728 120.400 0.115 0.000 2.479 314 D HA 0.021 4.661 4.640 -0.000 0.000 0.218 314 D C -0.078 176.175 176.300 -0.079 0.000 1.177 314 D CA 0.126 54.124 54.000 -0.004 0.000 0.830 314 D CB -0.199 40.627 40.800 0.044 0.000 1.014 314 D HN -0.007 nan 8.370 nan 0.000 0.503 315 D N -0.223 120.133 120.400 -0.073 0.000 2.702 315 D HA -0.233 4.407 4.640 -0.000 0.000 0.233 315 D C -0.431 175.758 176.300 -0.184 0.000 1.164 315 D CA 0.890 54.823 54.000 -0.112 0.000 0.638 315 D CB -1.037 39.706 40.800 -0.096 0.000 1.041 315 D HN 0.332 nan 8.370 nan 0.000 0.422 316 A N 0.878 123.561 122.820 -0.228 0.000 2.252 316 A HA 0.787 5.107 4.320 -0.000 0.000 0.305 316 A C 0.375 177.645 177.584 -0.523 0.000 1.097 316 A CA -0.233 51.514 52.037 -0.483 0.000 0.849 316 A CB 0.990 19.615 19.000 -0.624 0.000 1.142 316 A HN 0.375 nan 8.150 nan 0.000 0.499 317 R N 0.452 120.514 120.500 -0.730 0.000 2.549 317 R HA 0.459 4.799 4.340 -0.000 0.000 0.291 317 R C -2.251 173.813 176.300 -0.393 0.000 1.164 317 R CA -0.323 55.512 56.100 -0.443 0.000 0.973 317 R CB 0.793 30.967 30.300 -0.210 0.000 1.210 317 R HN 0.716 nan 8.270 nan 0.000 0.422 318 Y N 3.604 124.005 120.300 0.169 0.000 2.387 318 Y HA 0.466 5.016 4.550 -0.000 0.000 0.336 318 Y C -1.850 174.153 175.900 0.173 0.000 1.067 318 Y CA -2.810 55.442 58.100 0.253 0.000 1.114 318 Y CB 1.006 39.631 38.460 0.276 0.000 1.208 318 Y HN 0.484 nan 8.280 nan 0.000 0.458 319 P HA 0.191 nan 4.420 nan 0.000 0.268 319 P C -1.015 176.388 177.300 0.171 0.000 1.204 319 P CA 0.173 63.376 63.100 0.171 0.000 0.768 319 P CB 0.544 32.314 31.700 0.117 0.000 0.842 320 L N 1.714 123.005 121.223 0.113 0.000 2.388 320 L HA 0.768 5.108 4.340 -0.000 0.000 0.264 320 L C 0.404 177.299 176.870 0.041 0.000 0.998 320 L CA -0.404 54.490 54.840 0.089 0.000 0.817 320 L CB 2.522 44.623 42.059 0.070 0.000 1.338 320 L HN 0.334 nan 8.230 nan 0.000 0.414 321 T N -0.321 114.249 114.554 0.026 0.000 2.754 321 T HA 0.730 5.080 4.350 -0.000 0.000 0.296 321 T C -1.268 173.422 174.700 -0.017 0.000 1.205 321 T CA -0.166 61.935 62.100 0.003 0.000 1.009 321 T CB 2.039 70.912 68.868 0.007 0.000 1.368 321 T HN 0.794 nan 8.240 nan 0.000 0.509 322 T N -0.084 114.453 114.554 -0.027 0.000 2.906 322 T HA 0.571 4.921 4.350 -0.000 0.000 0.295 322 T C 1.309 175.992 174.700 -0.028 0.000 1.061 322 T CA -0.833 61.242 62.100 -0.043 0.000 1.000 322 T CB 1.124 69.946 68.868 -0.078 0.000 1.103 322 T HN 0.490 nan 8.240 nan 0.000 0.486 323 I N 0.581 121.135 120.570 -0.027 0.000 2.493 323 I HA -0.102 4.068 4.170 -0.000 0.000 0.254 323 I C 2.388 178.494 176.117 -0.018 0.000 1.160 323 I CA 0.760 62.050 61.300 -0.016 0.000 1.445 323 I CB -0.166 37.827 38.000 -0.012 0.000 1.086 323 I HN 0.606 nan 8.210 nan 0.000 0.433 324 K N 0.671 121.053 120.400 -0.030 0.000 1.973 324 K HA -0.094 4.225 4.320 -0.000 0.000 0.212 324 K C 0.569 177.158 176.600 -0.019 0.000 1.047 324 K CA 0.737 57.008 56.287 -0.027 0.000 0.937 324 K CB -0.493 31.983 32.500 -0.041 0.000 0.721 324 K HN 0.265 nan 8.250 nan 0.000 0.440 325 Q N 0.020 119.806 119.800 -0.023 0.000 2.368 325 Q HA -0.204 4.136 4.340 -0.000 0.000 0.354 325 Q C 0.548 176.544 176.000 -0.007 0.000 1.260 325 Q CA 0.839 56.634 55.803 -0.013 0.000 1.081 325 Q CB -1.281 27.451 28.738 -0.010 0.000 1.196 325 Q HN 0.639 nan 8.270 nan 0.000 0.299 326 G N 0.124 108.922 108.800 -0.005 0.000 2.508 326 G HA2 0.476 4.436 3.960 -0.000 0.000 0.167 326 G HA3 0.476 4.436 3.960 -0.000 0.000 0.167 326 G C 0.391 175.293 174.900 0.004 0.000 1.534 326 G CA 0.570 45.670 45.100 -0.000 0.000 0.707 326 G HN 0.607 nan 8.290 nan 0.000 0.717 327 G N -0.080 108.725 108.800 0.007 0.000 3.434 327 G HA2 0.446 4.406 3.960 -0.000 0.000 0.197 327 G HA3 0.446 4.406 3.960 -0.000 0.000 0.197 327 G C -0.596 174.311 174.900 0.012 0.000 1.559 327 G CA -0.045 45.061 45.100 0.010 0.000 0.852 327 G HN 0.343 nan 8.290 nan 0.000 0.682 328 E N 0.321 120.530 120.200 0.016 0.000 2.417 328 E HA 0.272 4.622 4.350 -0.000 0.000 0.261 328 E C -0.257 176.355 176.600 0.021 0.000 1.000 328 E CA 0.120 56.531 56.400 0.018 0.000 0.919 328 E CB 0.338 30.050 29.700 0.020 0.000 0.955 328 E HN 0.162 nan 8.360 nan 0.000 0.455 329 L N 6.043 127.277 121.223 0.018 0.000 2.264 329 L HA 0.426 4.765 4.340 -0.000 0.000 0.289 329 L C -0.232 176.652 176.870 0.023 0.000 1.044 329 L CA -0.593 54.259 54.840 0.020 0.000 0.807 329 L CB 0.667 42.733 42.059 0.011 0.000 1.192 329 L HN 0.480 nan 8.230 nan 0.000 0.425 330 I N 4.903 125.494 120.570 0.035 0.000 2.441 330 I HA 0.348 4.518 4.170 -0.000 0.000 0.295 330 I C -2.175 173.959 176.117 0.027 0.000 0.994 330 I CA -2.251 59.070 61.300 0.035 0.000 1.144 330 I CB 1.980 40.011 38.000 0.051 0.000 1.314 330 I HN 0.320 nan 8.210 nan 0.000 0.445 331 P HA 0.090 nan 4.420 nan 0.000 0.261 331 P C -0.972 176.309 177.300 -0.032 0.000 1.203 331 P CA 0.259 63.351 63.100 -0.014 0.000 0.767 331 P CB 0.469 32.161 31.700 -0.014 0.000 0.785 332 S N 1.447 117.114 115.700 -0.056 0.000 2.704 332 S HA 0.685 5.155 4.470 -0.000 0.000 0.296 332 S C -0.576 173.876 174.600 -0.247 0.000 1.138 332 S CA -0.740 57.401 58.200 -0.099 0.000 0.875 332 S CB 1.582 64.838 63.200 0.093 0.000 1.151 332 S HN 0.111 nan 8.310 nan 0.000 0.500 333 V N 1.723 121.371 119.914 -0.443 0.000 2.588 333 V HA 0.465 4.585 4.120 -0.000 0.000 0.304 333 V C -1.103 174.699 176.094 -0.487 0.000 1.042 333 V CA -0.587 61.293 62.300 -0.700 0.000 0.877 333 V CB 1.460 32.290 31.823 -1.656 0.000 0.996 333 V HN 0.681 nan 8.190 nan 0.000 0.425 334 L N 3.957 124.963 121.223 -0.362 0.000 2.262 334 L HA 0.598 4.938 4.340 -0.000 0.000 0.288 334 L C 0.303 177.001 176.870 -0.286 0.000 1.035 334 L CA 0.071 54.765 54.840 -0.244 0.000 0.820 334 L CB 1.601 43.536 42.059 -0.206 0.000 1.204 334 L HN 0.733 nan 8.230 nan 0.000 0.424 335 S N 2.173 117.739 115.700 -0.223 0.000 2.549 335 S HA 0.757 5.227 4.470 -0.000 0.000 0.297 335 S C 0.272 174.865 174.600 -0.012 0.000 1.115 335 S CA -0.365 57.780 58.200 -0.092 0.000 1.059 335 S CB 1.738 64.949 63.200 0.018 0.000 1.046 335 S HN 0.636 nan 8.310 nan 0.000 0.506 336 G N 2.140 110.964 108.800 0.040 0.000 2.588 336 G HA2 0.415 4.375 3.960 -0.000 0.000 0.278 336 G HA3 0.415 4.375 3.960 -0.000 0.000 0.278 336 G C -1.681 173.261 174.900 0.069 0.000 1.307 336 G CA -1.117 44.012 45.100 0.048 0.000 1.016 336 G HN 0.611 nan 8.290 nan 0.000 0.503 337 P HA 0.015 nan 4.420 nan 0.000 0.227 337 P C 1.153 178.327 177.300 -0.210 0.000 1.161 337 P CA 0.842 63.728 63.100 -0.356 0.000 0.788 337 P CB -0.178 30.824 31.700 -1.163 0.000 0.822 338 T N -2.101 112.439 114.554 -0.024 0.000 2.868 338 T HA 0.116 4.466 4.350 -0.000 0.000 0.292 338 T C 1.027 175.809 174.700 0.137 0.000 1.028 338 T CA -0.485 61.671 62.100 0.094 0.000 1.059 338 T CB 0.123 69.050 68.868 0.099 0.000 0.991 338 T HN 0.038 nan 8.240 nan 0.000 0.531 339 C N 1.377 120.727 119.300 0.084 0.000 2.507 339 C HA 0.205 4.664 4.460 -0.000 0.000 0.301 339 C C 0.881 175.952 174.990 0.136 0.000 1.351 339 C CA -0.508 58.561 59.018 0.084 0.000 1.650 339 C CB -2.096 25.655 27.740 0.019 0.000 1.676 339 C HN 0.808 nan 8.230 nan 0.000 0.594 340 D N 0.470 121.003 120.400 0.222 0.000 2.249 340 D HA 0.154 4.794 4.640 -0.000 0.000 0.246 340 D C 0.806 177.258 176.300 0.253 0.000 1.114 340 D CA 0.244 54.410 54.000 0.278 0.000 0.854 340 D CB 1.468 42.546 40.800 0.464 0.000 1.132 340 D HN 0.073 nan 8.370 nan 0.000 0.461 341 S N 1.765 117.582 115.700 0.194 0.000 2.481 341 S HA -0.096 4.373 4.470 -0.000 0.000 0.231 341 S C 1.886 176.586 174.600 0.168 0.000 0.996 341 S CA -0.003 58.307 58.200 0.183 0.000 0.942 341 S CB 0.227 63.508 63.200 0.133 0.000 0.768 341 S HN 0.501 nan 8.310 nan 0.000 0.520 342 V N 1.917 121.923 119.914 0.152 0.000 2.626 342 V HA -0.084 4.036 4.120 -0.000 0.000 0.252 342 V C 0.675 176.814 176.094 0.075 0.000 1.067 342 V CA 1.354 63.706 62.300 0.086 0.000 1.081 342 V CB -0.259 31.589 31.823 0.042 0.000 0.686 342 V HN 0.316 nan 8.190 nan 0.000 0.468 343 D N 0.934 121.434 120.400 0.167 0.000 2.600 343 D HA 0.166 4.806 4.640 -0.000 0.000 0.226 343 D C -0.618 175.748 176.300 0.110 0.000 1.119 343 D CA 0.381 54.475 54.000 0.158 0.000 1.051 343 D CB -0.191 40.808 40.800 0.331 0.000 1.106 343 D HN 0.225 nan 8.370 nan 0.000 0.491 344 V N 4.558 124.486 119.914 0.024 0.000 2.577 344 V HA 0.215 4.335 4.120 -0.000 0.000 0.303 344 V C 1.297 177.320 176.094 -0.118 0.000 1.042 344 V CA -0.777 61.487 62.300 -0.060 0.000 0.872 344 V CB 1.867 33.645 31.823 -0.074 0.000 0.998 344 V HN 0.393 nan 8.190 nan 0.000 0.423 345 I N 1.510 121.961 120.570 -0.198 0.000 3.645 345 I HA 0.779 4.949 4.170 -0.000 0.000 0.300 345 I C 0.617 176.618 176.117 -0.194 0.000 1.260 345 I CA 0.498 61.655 61.300 -0.239 0.000 1.365 345 I CB 0.593 38.259 38.000 -0.557 0.000 1.077 345 I HN 0.575 nan 8.210 nan 0.000 0.439 346 A N 1.259 123.951 122.820 -0.212 0.000 2.555 346 A HA 0.566 4.886 4.320 -0.000 0.000 0.297 346 A C -1.367 176.074 177.584 -0.237 0.000 1.060 346 A CA -0.512 51.418 52.037 -0.179 0.000 0.710 346 A CB 1.200 20.113 19.000 -0.145 0.000 1.282 346 A HN 0.220 nan 8.150 nan 0.000 0.399 347 E N 1.923 122.002 120.200 -0.201 0.000 2.187 347 E HA 0.434 4.784 4.350 -0.000 0.000 0.268 347 E C -0.233 176.269 176.600 -0.164 0.000 0.896 347 E CA -0.367 55.891 56.400 -0.237 0.000 0.766 347 E CB 1.156 30.743 29.700 -0.188 0.000 1.142 347 E HN 0.823 nan 8.360 nan 0.000 0.408 348 N N 2.590 121.187 118.700 -0.172 0.000 2.758 348 N HA -0.223 4.517 4.740 -0.000 0.000 0.248 348 N C -0.791 174.672 175.510 -0.078 0.000 1.076 348 N CA 0.616 53.604 53.050 -0.104 0.000 0.696 348 N CB -1.463 36.982 38.487 -0.070 0.000 0.979 348 N HN 0.623 nan 8.380 nan 0.000 0.550 349 I N 0.243 120.760 120.570 -0.089 0.000 2.365 349 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 349 I C 0.042 176.139 176.117 -0.033 0.000 1.004 349 I CA -0.759 60.506 61.300 -0.058 0.000 1.311 349 I CB 0.419 38.379 38.000 -0.067 0.000 1.401 349 I HN 0.015 nan 8.210 nan 0.000 0.491 350 L N 8.892 130.104 121.223 -0.019 0.000 2.268 350 L HA 0.396 4.736 4.340 -0.000 0.000 0.289 350 L C -0.505 176.366 176.870 0.002 0.000 1.064 350 L CA -0.121 54.716 54.840 -0.004 0.000 0.824 350 L CB 0.413 42.470 42.059 -0.004 0.000 1.202 350 L HN 0.610 nan 8.230 nan 0.000 0.433 351 L N 5.747 126.982 121.223 0.020 0.000 2.323 351 L HA 0.627 4.967 4.340 -0.000 0.000 0.265 351 L C -2.168 174.720 176.870 0.029 0.000 1.012 351 L CA -1.956 52.891 54.840 0.011 0.000 0.820 351 L CB 2.489 44.544 42.059 -0.006 0.000 1.334 351 L HN 0.334 nan 8.230 nan 0.000 0.427 352 P HA 0.055 nan 4.420 nan 0.000 0.273 352 P C -1.154 176.172 177.300 0.044 0.000 1.250 352 P CA -0.575 62.537 63.100 0.019 0.000 0.793 352 P CB 0.581 32.281 31.700 -0.001 0.000 1.011 353 K N 0.874 121.314 120.400 0.067 0.000 2.416 353 K HA 0.216 4.536 4.320 -0.000 0.000 0.283 353 K C -0.712 175.928 176.600 0.067 0.000 1.037 353 K CA 0.473 56.831 56.287 0.120 0.000 0.995 353 K CB -0.895 31.663 32.500 0.097 0.000 0.938 353 K HN 0.334 nan 8.250 nan 0.000 0.475 354 L N 4.093 125.364 121.223 0.081 0.000 2.334 354 L HA 0.447 4.787 4.340 -0.000 0.000 0.276 354 L C 0.080 177.004 176.870 0.089 0.000 1.014 354 L CA -1.048 53.762 54.840 -0.049 0.000 0.815 354 L CB 2.044 43.856 42.059 -0.412 0.000 1.268 354 L HN 0.710 nan 8.230 nan 0.000 0.428 355 N N 0.765 119.494 118.700 0.048 0.000 2.463 355 N HA 0.227 4.967 4.740 -0.000 0.000 0.270 355 N C -0.637 174.921 175.510 0.080 0.000 1.205 355 N CA -0.850 52.247 53.050 0.079 0.000 0.974 355 N CB 0.467 38.984 38.487 0.050 0.000 1.197 355 N HN 0.498 nan 8.380 nan 0.000 0.504 356 N N 0.367 119.128 118.700 0.102 0.000 2.407 356 N HA 0.121 4.861 4.740 -0.000 0.000 0.250 356 N C 1.258 176.805 175.510 0.062 0.000 1.236 356 N CA 1.010 54.120 53.050 0.099 0.000 0.879 356 N CB 0.538 39.086 38.487 0.102 0.000 1.088 356 N HN 0.880 nan 8.380 nan 0.000 0.450 357 G N 0.669 109.502 108.800 0.055 0.000 2.217 357 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.246 357 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.246 357 G C -0.048 174.861 174.900 0.015 0.000 0.990 357 G CA -0.006 45.117 45.100 0.037 0.000 0.627 357 G HN 0.592 nan 8.290 nan 0.000 0.522 358 D N 0.378 120.777 120.400 -0.003 0.000 2.357 358 D HA 0.520 5.160 4.640 -0.000 0.000 0.242 358 D C 0.955 177.228 176.300 -0.045 0.000 1.153 358 D CA 0.086 54.066 54.000 -0.034 0.000 0.918 358 D CB 0.774 41.533 40.800 -0.068 0.000 1.181 358 D HN 0.290 nan 8.370 nan 0.000 0.435 359 L N 1.056 122.251 121.223 -0.045 0.000 2.309 359 L HA 0.423 4.763 4.340 -0.000 0.000 0.282 359 L C -0.309 176.528 176.870 -0.054 0.000 1.036 359 L CA -0.959 53.862 54.840 -0.032 0.000 0.806 359 L CB 1.758 43.810 42.059 -0.012 0.000 1.220 359 L HN -0.046 nan 8.230 nan 0.000 0.429 360 V N 4.493 124.384 119.914 -0.039 0.000 2.409 360 V HA 0.423 4.543 4.120 -0.000 0.000 0.291 360 V C -0.062 176.045 176.094 0.022 0.000 1.020 360 V CA -0.474 61.804 62.300 -0.036 0.000 0.848 360 V CB 1.956 33.738 31.823 -0.068 0.000 0.990 360 V HN 0.411 nan 8.190 nan 0.000 0.430 361 I N 4.244 124.830 120.570 0.027 0.000 2.378 361 I HA 0.593 4.763 4.170 -0.000 0.000 0.291 361 I C 0.690 176.856 176.117 0.082 0.000 0.992 361 I CA -0.218 61.108 61.300 0.045 0.000 1.154 361 I CB 1.462 39.472 38.000 0.018 0.000 1.315 361 I HN 0.667 nan 8.210 nan 0.000 0.448 362 G N 6.582 115.444 108.800 0.104 0.000 2.415 362 G HA2 0.648 4.608 3.960 -0.000 0.000 0.327 362 G HA3 0.648 4.608 3.960 -0.000 0.000 0.327 362 G C -0.248 174.673 174.900 0.036 0.000 1.182 362 G CA -0.659 44.519 45.100 0.130 0.000 0.924 362 G HN 0.496 nan 8.290 nan 0.000 0.470 363 R N 1.106 121.648 120.500 0.071 0.000 2.758 363 R HA 0.578 4.918 4.340 -0.000 0.000 0.265 363 R C 0.052 176.370 176.300 0.031 0.000 1.016 363 R CA -0.441 55.671 56.100 0.021 0.000 1.040 363 R CB 0.908 31.218 30.300 0.018 0.000 1.152 363 R HN 0.628 nan 8.270 nan 0.000 0.503 364 T N 0.812 115.335 114.554 -0.052 0.000 3.946 364 T HA -0.113 4.237 4.350 -0.000 0.000 0.356 364 T C 0.520 175.232 174.700 0.019 0.000 0.758 364 T CA 0.735 62.777 62.100 -0.096 0.000 1.911 364 T CB -0.743 67.932 68.868 -0.323 0.000 1.835 364 T HN 0.506 nan 8.240 nan 0.000 0.807 365 M N -0.024 119.508 119.600 -0.113 0.000 2.475 365 M HA 0.265 4.744 4.480 -0.000 0.000 0.261 365 M C 2.050 178.240 176.300 -0.183 0.000 1.177 365 M CA 0.528 55.662 55.300 -0.276 0.000 0.979 365 M CB -0.176 32.201 32.600 -0.371 0.000 1.482 365 M HN 0.512 nan 8.290 nan 0.000 0.484 366 G N 0.327 109.073 108.800 -0.089 0.000 2.426 366 G HA2 0.232 4.192 3.960 -0.000 0.000 0.214 366 G HA3 0.232 4.192 3.960 -0.000 0.000 0.214 366 G C 0.521 175.390 174.900 -0.052 0.000 1.156 366 G CA 0.340 45.393 45.100 -0.079 0.000 0.802 366 G HN 0.501 nan 8.290 nan 0.000 0.534 367 A N -0.794 122.033 122.820 0.012 0.000 2.304 367 A HA 0.622 4.942 4.320 -0.000 0.000 0.323 367 A C -0.322 177.286 177.584 0.041 0.000 1.195 367 A CA -0.776 51.210 52.037 -0.086 0.000 0.826 367 A CB 0.230 19.218 19.000 -0.019 0.000 1.184 367 A HN 0.730 nan 8.150 nan 0.000 0.496 368 Y N 1.019 121.382 120.300 0.105 0.000 3.234 368 Y HA -0.307 4.243 4.550 -0.000 0.000 0.207 368 Y C 1.418 177.379 175.900 0.103 0.000 1.316 368 Y CA 1.114 59.272 58.100 0.096 0.000 1.309 368 Y CB -2.555 35.973 38.460 0.114 0.000 1.408 368 Y HN 0.986 nan 8.280 nan 0.000 0.544 369 T N -6.150 108.466 114.554 0.103 0.000 3.257 369 T HA 0.095 4.445 4.350 -0.000 0.000 0.176 369 T C 1.800 176.505 174.700 0.009 0.000 0.892 369 T CA 0.450 62.558 62.100 0.013 0.000 1.147 369 T CB -0.578 68.194 68.868 -0.160 0.000 1.840 369 T HN 0.298 nan 8.240 nan 0.000 0.375 370 S N 2.580 118.259 115.700 -0.035 0.000 2.400 370 S HA -0.008 4.462 4.470 -0.000 0.000 0.232 370 S C 2.416 177.034 174.600 0.030 0.000 1.025 370 S CA 1.174 59.373 58.200 -0.000 0.000 0.993 370 S CB -1.262 61.931 63.200 -0.011 0.000 0.808 370 S HN 0.873 nan 8.310 nan 0.000 0.478 371 A N 1.935 124.767 122.820 0.020 0.000 2.024 371 A HA -0.054 4.266 4.320 -0.000 0.000 0.220 371 A C 2.284 179.885 177.584 0.029 0.000 1.164 371 A CA 1.897 53.946 52.037 0.019 0.000 0.643 371 A CB -1.183 17.814 19.000 -0.004 0.000 0.806 371 A HN 0.819 nan 8.150 nan 0.000 0.451 372 T N -3.235 111.354 114.554 0.059 0.000 3.174 372 T HA 0.644 4.994 4.350 -0.000 0.000 0.269 372 T C 0.464 175.250 174.700 0.144 0.000 1.017 372 T CA 0.248 62.370 62.100 0.037 0.000 0.899 372 T CB -0.195 68.675 68.868 0.003 0.000 1.077 372 T HN 0.591 nan 8.240 nan 0.000 0.552 373 A N 2.083 124.984 122.820 0.136 0.000 2.425 373 A HA 0.591 4.911 4.320 -0.000 0.000 0.242 373 A C 0.879 178.585 177.584 0.203 0.000 1.077 373 A CA -0.113 52.032 52.037 0.179 0.000 0.781 373 A CB 0.125 19.207 19.000 0.137 0.000 1.020 373 A HN 0.676 nan 8.150 nan 0.000 0.494 374 T N -1.760 112.961 114.554 0.278 0.000 2.927 374 T HA 0.531 4.881 4.350 -0.000 0.000 0.286 374 T C -0.343 174.540 174.700 0.305 0.000 1.040 374 T CA -0.560 61.719 62.100 0.299 0.000 1.010 374 T CB 1.490 70.597 68.868 0.398 0.000 1.177 374 T HN 0.438 nan 8.240 nan 0.000 0.546 375 D N 0.287 120.873 120.400 0.310 0.000 2.463 375 D HA 0.183 4.823 4.640 -0.000 0.000 0.224 375 D C -0.185 176.348 176.300 0.389 0.000 1.174 375 D CA -0.233 53.973 54.000 0.342 0.000 0.829 375 D CB -0.123 40.872 40.800 0.325 0.000 0.993 375 D HN 0.381 nan 8.370 nan 0.000 0.497 376 F N 2.093 122.133 119.950 0.149 0.000 2.607 376 F HA -0.044 4.483 4.527 -0.000 0.000 0.374 376 F C 1.223 177.021 175.800 -0.003 0.000 1.104 376 F CA 0.067 58.049 58.000 -0.030 0.000 1.296 376 F CB 0.277 39.108 39.000 -0.282 0.000 1.085 376 F HN -0.068 nan 8.300 nan 0.000 0.584 377 N N 3.440 121.760 118.700 -0.633 0.000 2.900 377 N HA -0.288 4.452 4.740 -0.000 0.000 0.240 377 N C 0.229 175.595 175.510 -0.240 0.000 0.953 377 N CA 1.545 54.274 53.050 -0.536 0.000 0.950 377 N CB -1.329 36.962 38.487 -0.325 0.000 1.102 377 N HN 0.602 nan 8.380 nan 0.000 0.593 378 F N -3.683 116.221 119.950 -0.076 0.000 3.034 378 F HA -0.248 4.279 4.527 -0.000 0.000 0.286 378 F C 0.363 176.131 175.800 -0.054 0.000 0.804 378 F CA 0.045 58.017 58.000 -0.047 0.000 1.161 378 F CB -2.467 36.477 39.000 -0.093 0.000 1.317 378 F HN 0.065 nan 8.300 nan 0.000 0.453 379 F N 1.749 121.790 119.950 0.151 0.000 2.572 379 F HA 0.173 4.700 4.527 -0.000 0.000 0.370 379 F C 1.307 177.183 175.800 0.128 0.000 1.103 379 F CA -0.100 57.968 58.000 0.113 0.000 1.286 379 F CB 0.467 39.522 39.000 0.091 0.000 1.105 379 F HN 0.056 nan 8.300 nan 0.000 0.583 380 K N 5.205 125.808 120.400 0.340 0.000 2.368 380 K HA 0.282 4.602 4.320 -0.000 0.000 0.282 380 K C -0.269 176.460 176.600 0.214 0.000 1.035 380 K CA -0.534 55.883 56.287 0.216 0.000 0.973 380 K CB 0.604 33.193 32.500 0.149 0.000 0.957 380 K HN 0.540 nan 8.250 nan 0.000 0.474 381 R N 1.754 122.352 120.500 0.163 0.000 2.623 381 R HA 0.061 4.401 4.340 -0.000 0.000 0.271 381 R C 0.213 176.573 176.300 0.101 0.000 1.043 381 R CA -0.006 56.173 56.100 0.133 0.000 1.083 381 R CB 0.348 30.711 30.300 0.105 0.000 0.974 381 R HN 0.842 nan 8.270 nan 0.000 0.436 382 A N 2.513 125.384 122.820 0.084 0.000 2.587 382 A HA -0.110 4.210 4.320 -0.000 0.000 0.233 382 A C 0.287 177.888 177.584 0.029 0.000 1.049 382 A CA 0.251 52.320 52.037 0.053 0.000 0.754 382 A CB 0.101 19.115 19.000 0.024 0.000 0.977 382 A HN 0.751 nan 8.150 nan 0.000 0.509 383 Q N 1.316 121.125 119.800 0.015 0.000 2.256 383 Q HA 0.330 4.670 4.340 -0.000 0.000 0.254 383 Q C -0.657 175.303 176.000 -0.067 0.000 0.916 383 Q CA -0.251 55.539 55.803 -0.022 0.000 0.932 383 Q CB 0.687 29.408 28.738 -0.028 0.000 1.207 383 Q HN 0.710 nan 8.270 nan 0.000 0.426 384 T N 5.320 119.836 114.554 -0.064 0.000 2.749 384 T HA 0.324 4.674 4.350 -0.000 0.000 0.295 384 T C -0.204 174.387 174.700 -0.183 0.000 0.936 384 T CA -0.386 61.659 62.100 -0.092 0.000 1.060 384 T CB 0.220 69.083 68.868 -0.008 0.000 0.904 384 T HN 0.411 nan 8.240 nan 0.000 0.500 385 I N 3.181 123.604 120.570 -0.245 0.000 2.330 385 I HA 0.452 4.622 4.170 -0.000 0.000 0.289 385 I C 0.493 176.436 176.117 -0.290 0.000 1.001 385 I CA -1.325 59.771 61.300 -0.339 0.000 1.193 385 I CB 0.465 38.232 38.000 -0.387 0.000 1.345 385 I HN 0.609 nan 8.210 nan 0.000 0.461 386 A N 7.894 130.523 122.820 -0.317 0.000 2.276 386 A HA 0.687 5.007 4.320 -0.000 0.000 0.300 386 A C -0.550 176.840 177.584 -0.323 0.000 1.235 386 A CA -0.361 51.474 52.037 -0.336 0.000 0.867 386 A CB 0.445 19.230 19.000 -0.357 0.000 1.137 386 A HN 0.514 nan 8.150 nan 0.000 0.527 387 L N 2.429 123.496 121.223 -0.259 0.000 2.346 387 L HA 0.503 4.843 4.340 -0.000 0.000 0.274 387 L C 0.307 177.063 176.870 -0.190 0.000 1.007 387 L CA -0.136 54.585 54.840 -0.199 0.000 0.818 387 L CB 0.920 42.899 42.059 -0.134 0.000 1.284 387 L HN 0.845 nan 8.230 nan 0.000 0.424 388 N N 1.042 119.654 118.700 -0.146 0.000 2.776 388 N HA -0.215 4.525 4.740 -0.000 0.000 0.250 388 N C 1.221 176.636 175.510 -0.158 0.000 1.112 388 N CA 1.265 54.252 53.050 -0.104 0.000 0.733 388 N CB -0.726 37.710 38.487 -0.085 0.000 1.097 388 N HN 0.817 nan 8.380 nan 0.000 0.558 389 E N -0.927 119.117 120.200 -0.260 0.000 2.058 389 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 389 E C 0.104 176.386 176.600 -0.530 0.000 0.997 389 E CA 1.168 57.285 56.400 -0.470 0.000 0.801 389 E CB 0.192 29.491 29.700 -0.668 0.000 0.746 389 E HN 0.413 nan 8.360 nan 0.000 0.450 390 F N 0.000 120.015 119.950 0.108 0.000 2.286 390 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 390 F CA 0.000 58.056 58.000 0.093 0.000 1.383 390 F CB 0.000 39.075 39.000 0.125 0.000 1.145 390 F HN 0.000 nan 8.300 nan 0.000 0.574