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 1z7q_1_d DATA FIRST_RESID 1002 DATA SEQUENCE PPKRAALIQN LRDSYTETSS FAVIEEWAAG TLQEIEGIAK AAAEAHGVIR DATA SEQUENCE NSTYGRAQAE KSPEQLLGVL QRYQDLCHNV YCQAETIRTV IAIRIPEHKE DATA SEQUENCE EDNLGVAVQH AVLKIIDELE IKTLGSGEKS GSGGAPTPIG MYALREYLSA DATA SEQUENCE RSTVEDKLLG VDAESGKTKG GGSQSPSLLL ELRQIDADFM LKVELATTHL DATA SEQUENCE STMVRAVINA YLLNWKKLIQ PRTGSDHMVS 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 1002 P HA 0.000 nan 4.420 nan 0.000 0.216 1002 P C 0.000 177.303 177.300 0.005 0.000 1.155 1002 P CA 0.000 63.103 63.100 0.005 0.000 0.800 1002 P CB 0.000 31.703 31.700 0.004 0.000 0.726 1003 P HA 0.056 nan 4.420 nan 0.000 0.230 1003 P C 1.321 178.625 177.300 0.007 0.000 1.168 1003 P CA 0.652 63.755 63.100 0.005 0.000 0.793 1003 P CB 0.971 32.674 31.700 0.005 0.000 0.851 1004 K N 0.558 120.962 120.400 0.007 0.000 2.137 1004 K HA 0.032 4.352 4.320 -0.000 0.000 0.202 1004 K C 2.282 178.887 176.600 0.008 0.000 1.052 1004 K CA 0.408 56.700 56.287 0.008 0.000 0.961 1004 K CB 0.060 32.564 32.500 0.007 0.000 0.741 1004 K HN -0.121 nan 8.250 nan 0.000 0.452 1005 R N 0.068 120.573 120.500 0.008 0.000 2.148 1005 R HA -0.037 4.303 4.340 -0.000 0.000 0.227 1005 R C 2.212 178.517 176.300 0.009 0.000 1.103 1005 R CA 1.137 57.241 56.100 0.008 0.000 0.983 1005 R CB -0.175 30.130 30.300 0.007 0.000 0.874 1005 R HN 0.194 nan 8.270 nan 0.000 0.451 1006 A N 1.066 123.891 122.820 0.008 0.000 1.929 1006 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 1006 A C 2.316 179.906 177.584 0.011 0.000 1.176 1006 A CA 1.318 53.360 52.037 0.009 0.000 0.628 1006 A CB -0.487 18.518 19.000 0.007 0.000 0.816 1006 A HN 0.357 nan 8.150 nan 0.000 0.444 1007 A N 0.223 123.049 122.820 0.011 0.000 1.845 1007 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 1007 A C 2.151 179.744 177.584 0.015 0.000 1.195 1007 A CA 1.540 53.585 52.037 0.013 0.000 0.616 1007 A CB -0.822 18.185 19.000 0.012 0.000 0.832 1007 A HN 0.458 nan 8.150 nan 0.000 0.443 1008 L N -0.488 120.744 121.223 0.014 0.000 1.997 1008 L HA -0.266 4.074 4.340 -0.000 0.000 0.216 1008 L C 2.553 179.433 176.870 0.018 0.000 1.074 1008 L CA 1.806 56.655 54.840 0.016 0.000 0.763 1008 L CB -0.631 41.436 42.059 0.013 0.000 0.890 1008 L HN 0.414 nan 8.230 nan 0.000 0.434 1009 I N -0.878 119.701 120.570 0.015 0.000 2.361 1009 I HA -0.282 3.888 4.170 -0.000 0.000 0.251 1009 I C 2.629 178.758 176.117 0.021 0.000 1.133 1009 I CA 0.888 62.197 61.300 0.015 0.000 1.413 1009 I CB -0.195 37.812 38.000 0.012 0.000 1.073 1009 I HN 0.355 nan 8.210 nan 0.000 0.424 1010 Q N 1.574 121.387 119.800 0.021 0.000 2.016 1010 Q HA -0.169 4.170 4.340 -0.000 0.000 0.200 1010 Q C 1.918 177.938 176.000 0.032 0.000 0.978 1010 Q CA 1.798 57.615 55.803 0.024 0.000 0.833 1010 Q CB -0.204 28.546 28.738 0.020 0.000 0.895 1010 Q HN 0.398 nan 8.270 nan 0.000 0.427 1011 N N 0.140 118.859 118.700 0.032 0.000 2.149 1011 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 1011 N C 1.787 177.333 175.510 0.059 0.000 1.019 1011 N CA 1.117 54.191 53.050 0.040 0.000 0.857 1011 N CB -0.363 38.145 38.487 0.035 0.000 0.997 1011 N HN 0.281 nan 8.380 nan 0.000 0.426 1012 L N 1.002 122.257 121.223 0.054 0.000 1.989 1012 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 1012 L C 2.269 179.197 176.870 0.097 0.000 1.071 1012 L CA 1.382 56.261 54.840 0.066 0.000 0.749 1012 L CB -0.168 41.907 42.059 0.028 0.000 0.890 1012 L HN 0.143 nan 8.230 nan 0.000 0.431 1013 R N -0.533 120.010 120.500 0.072 0.000 2.280 1013 R HA -0.093 4.247 4.340 -0.000 0.000 0.207 1013 R C 1.306 177.661 176.300 0.091 0.000 1.043 1013 R CA 0.645 56.794 56.100 0.082 0.000 1.006 1013 R CB -0.111 30.221 30.300 0.054 0.000 0.885 1013 R HN 0.434 nan 8.270 nan 0.000 0.467 1014 D N -0.452 119.996 120.400 0.079 0.000 2.305 1014 D HA 0.023 4.663 4.640 -0.000 0.000 0.206 1014 D C 1.419 177.753 176.300 0.057 0.000 0.974 1014 D CA 0.771 54.806 54.000 0.057 0.000 0.871 1014 D CB 0.321 41.145 40.800 0.039 0.000 0.947 1014 D HN 0.014 nan 8.370 nan 0.000 0.516 1015 S N -0.172 115.591 115.700 0.106 0.000 2.414 1015 S HA -0.073 4.397 4.470 -0.000 0.000 0.227 1015 S C 0.239 174.828 174.600 -0.017 0.000 1.022 1015 S CA 0.568 58.818 58.200 0.083 0.000 0.958 1015 S CB 0.093 63.431 63.200 0.230 0.000 0.797 1015 S HN 0.236 nan 8.310 nan 0.000 0.493 1016 Y N 2.245 122.550 120.300 0.008 0.000 2.787 1016 Y HA 0.322 4.872 4.550 -0.000 0.000 0.352 1016 Y C 0.738 176.648 175.900 0.017 0.000 1.027 1016 Y CA -1.321 56.783 58.100 0.007 0.000 1.219 1016 Y CB 0.011 38.474 38.460 0.006 0.000 1.110 1016 Y HN 0.067 nan 8.280 nan 0.000 0.614 1017 T N -3.213 111.398 114.554 0.094 0.000 2.771 1017 T HA 0.099 4.449 4.350 -0.000 0.000 0.290 1017 T C 1.261 176.017 174.700 0.093 0.000 1.005 1017 T CA -0.501 61.648 62.100 0.083 0.000 0.944 1017 T CB 1.142 70.037 68.868 0.045 0.000 1.147 1017 T HN 0.475 nan 8.240 nan 0.000 0.534 1018 E N 0.019 120.277 120.200 0.098 0.000 2.204 1018 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 1018 E C 1.963 178.623 176.600 0.099 0.000 0.989 1018 E CA 1.210 57.686 56.400 0.126 0.000 0.824 1018 E CB -0.708 29.071 29.700 0.131 0.000 0.756 1018 E HN 0.782 nan 8.360 nan 0.000 0.477 1019 T N 0.359 114.949 114.554 0.061 0.000 2.788 1019 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 1019 T C 2.015 176.731 174.700 0.027 0.000 1.044 1019 T CA 1.377 63.516 62.100 0.064 0.000 1.139 1019 T CB -0.127 68.758 68.868 0.028 0.000 0.867 1019 T HN 0.110 nan 8.240 nan 0.000 0.454 1020 S N 1.873 117.568 115.700 -0.007 0.000 2.356 1020 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 1020 S C 2.530 177.075 174.600 -0.091 0.000 1.032 1020 S CA 1.517 59.679 58.200 -0.064 0.000 1.005 1020 S CB -0.439 62.715 63.200 -0.075 0.000 0.867 1020 S HN 0.762 nan 8.310 nan 0.000 0.449 1021 S N 1.114 116.785 115.700 -0.049 0.000 2.414 1021 S HA 0.022 4.491 4.470 -0.000 0.000 0.227 1021 S C 1.624 176.045 174.600 -0.298 0.000 1.022 1021 S CA 0.428 58.528 58.200 -0.166 0.000 0.958 1021 S CB -0.624 62.542 63.200 -0.057 0.000 0.797 1021 S HN 0.422 nan 8.310 nan 0.000 0.493 1022 F N 3.242 123.019 119.950 -0.289 0.000 2.234 1022 F HA 0.262 4.789 4.527 -0.000 0.000 0.299 1022 F C 2.406 178.015 175.800 -0.317 0.000 1.087 1022 F CA 0.210 58.016 58.000 -0.323 0.000 1.340 1022 F CB -0.989 37.889 39.000 -0.203 0.000 1.031 1022 F HN 0.281 nan 8.300 nan 0.000 0.500 1023 A N -0.045 122.539 122.820 -0.394 0.000 1.902 1023 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 1023 A C 2.322 179.617 177.584 -0.483 0.000 1.181 1023 A CA 1.987 53.754 52.037 -0.450 0.000 0.623 1023 A CB -1.380 17.467 19.000 -0.256 0.000 0.818 1023 A HN 0.239 nan 8.150 nan 0.000 0.443 1024 V N 0.579 120.193 119.914 -0.500 0.000 2.407 1024 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 1024 V C 2.380 177.890 176.094 -0.974 0.000 1.055 1024 V CA 1.673 63.567 62.300 -0.677 0.000 1.049 1024 V CB -0.700 30.684 31.823 -0.731 0.000 0.662 1024 V HN 0.517 nan 8.190 nan 0.000 0.455 1025 I N 0.026 120.089 120.570 -0.846 0.000 2.353 1025 I HA -0.152 4.017 4.170 -0.000 0.000 0.248 1025 I C 2.506 178.371 176.117 -0.420 0.000 1.119 1025 I CA 1.403 62.303 61.300 -0.665 0.000 1.417 1025 I CB -1.150 36.545 38.000 -0.507 0.000 1.078 1025 I HN 0.453 nan 8.210 nan 0.000 0.421 1026 E N 0.527 120.396 120.200 -0.552 0.000 2.077 1026 E HA -0.272 4.078 4.350 -0.000 0.000 0.193 1026 E C 2.024 178.499 176.600 -0.209 0.000 0.989 1026 E CA 1.268 57.423 56.400 -0.409 0.000 0.800 1026 E CB -0.030 29.335 29.700 -0.558 0.000 0.746 1026 E HN 0.331 nan 8.360 nan 0.000 0.452 1027 E N 0.450 120.526 120.200 -0.207 0.000 2.058 1027 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 1027 E C 1.523 178.206 176.600 0.139 0.000 0.997 1027 E CA 1.339 57.713 56.400 -0.043 0.000 0.801 1027 E CB -0.272 29.409 29.700 -0.032 0.000 0.746 1027 E HN 0.291 nan 8.360 nan 0.000 0.450 1028 W N 0.534 121.758 121.300 -0.128 0.000 2.425 1028 W HA 0.156 4.816 4.660 -0.000 0.000 0.277 1028 W C 2.366 178.838 176.519 -0.078 0.000 1.231 1028 W CA 0.899 58.187 57.345 -0.095 0.000 1.248 1028 W CB -1.235 28.168 29.460 -0.095 0.000 1.117 1028 W HN 0.249 nan 8.180 nan 0.000 0.568 1029 A N 0.038 122.935 122.820 0.129 0.000 1.902 1029 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 1029 A C 2.100 179.705 177.584 0.035 0.000 1.181 1029 A CA 2.768 54.841 52.037 0.059 0.000 0.623 1029 A CB -0.831 18.171 19.000 0.003 0.000 0.818 1029 A HN 0.122 nan 8.150 nan 0.000 0.443 1030 A N -1.528 121.303 122.820 0.018 0.000 2.417 1030 A HA 0.487 4.807 4.320 -0.000 0.000 0.224 1030 A C 2.329 179.918 177.584 0.009 0.000 2.273 1030 A CA 1.091 53.131 52.037 0.005 0.000 1.018 1030 A CB -1.360 17.631 19.000 -0.014 0.000 1.400 1030 A HN 0.753 nan 8.150 nan 0.000 0.580 1031 G N -0.285 108.519 108.800 0.005 0.000 2.672 1031 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.218 1031 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.218 1031 G C 1.497 176.399 174.900 0.005 0.000 1.238 1031 G CA 2.213 47.316 45.100 0.004 0.000 0.791 1031 G HN 0.462 nan 8.290 nan 0.000 0.606 1032 T N 1.073 115.642 114.554 0.026 0.000 2.778 1032 T HA -0.042 4.308 4.350 -0.000 0.000 0.269 1032 T C 2.367 177.031 174.700 -0.060 0.000 1.050 1032 T CA 1.002 63.087 62.100 -0.024 0.000 1.137 1032 T CB -0.144 68.698 68.868 -0.043 0.000 0.860 1032 T HN 0.134 nan 8.240 nan 0.000 0.468 1033 L N 0.328 121.534 121.223 -0.028 0.000 2.109 1033 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 1033 L C 2.828 179.682 176.870 -0.027 0.000 1.086 1033 L CA 1.246 56.064 54.840 -0.037 0.000 0.760 1033 L CB -0.384 41.669 42.059 -0.011 0.000 0.910 1033 L HN 0.311 nan 8.230 nan 0.000 0.437 1034 Q N -0.592 119.199 119.800 -0.015 0.000 2.167 1034 Q HA -0.258 4.082 4.340 -0.000 0.000 0.202 1034 Q C 1.956 177.948 176.000 -0.014 0.000 0.970 1034 Q CA 1.410 57.206 55.803 -0.012 0.000 0.855 1034 Q CB -0.010 28.724 28.738 -0.008 0.000 0.911 1034 Q HN 0.281 nan 8.270 nan 0.000 0.438 1035 E N 1.290 121.478 120.200 -0.020 0.000 2.077 1035 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 1035 E C 1.627 178.218 176.600 -0.015 0.000 0.989 1035 E CA 1.201 57.590 56.400 -0.019 0.000 0.800 1035 E CB -0.184 29.499 29.700 -0.028 0.000 0.746 1035 E HN 0.365 nan 8.360 nan 0.000 0.452 1036 I N 0.524 121.077 120.570 -0.028 0.000 2.252 1036 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 1036 I C 2.528 178.642 176.117 -0.004 0.000 1.102 1036 I CA 1.583 62.873 61.300 -0.016 0.000 1.385 1036 I CB -0.382 37.591 38.000 -0.045 0.000 1.064 1036 I HN 0.261 nan 8.210 nan 0.000 0.414 1037 E N 1.295 121.488 120.200 -0.012 0.000 2.204 1037 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 1037 E C 2.183 178.781 176.600 -0.003 0.000 0.990 1037 E CA 1.231 57.627 56.400 -0.008 0.000 0.821 1037 E CB -0.099 29.596 29.700 -0.009 0.000 0.750 1037 E HN 0.485 nan 8.360 nan 0.000 0.477 1038 G N 1.088 109.887 108.800 -0.001 0.000 2.394 1038 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.214 1038 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.214 1038 G C 1.557 176.462 174.900 0.008 0.000 1.176 1038 G CA 0.563 45.665 45.100 0.002 0.000 0.786 1038 G HN 0.263 nan 8.290 nan 0.000 0.533 1039 I N 1.560 122.140 120.570 0.017 0.000 2.567 1039 I HA -0.135 4.035 4.170 -0.000 0.000 0.257 1039 I C 3.153 179.276 176.117 0.010 0.000 1.184 1039 I CA 0.564 61.882 61.300 0.030 0.000 1.451 1039 I CB -0.089 37.957 38.000 0.077 0.000 1.089 1039 I HN 0.250 nan 8.210 nan 0.000 0.441 1040 A N 2.233 125.055 122.820 0.003 0.000 1.845 1040 A HA -0.232 4.088 4.320 -0.000 0.000 0.215 1040 A C 2.331 179.904 177.584 -0.018 0.000 1.195 1040 A CA 2.022 54.051 52.037 -0.013 0.000 0.616 1040 A CB -0.486 18.507 19.000 -0.011 0.000 0.832 1040 A HN 0.519 nan 8.150 nan 0.000 0.443 1041 K N -0.614 119.780 120.400 -0.009 0.000 2.365 1041 K HA 0.325 4.645 4.320 -0.000 0.000 0.197 1041 K C 1.872 178.472 176.600 0.000 0.000 1.042 1041 K CA 0.950 57.233 56.287 -0.006 0.000 0.987 1041 K CB -0.270 32.228 32.500 -0.003 0.000 0.779 1041 K HN 0.259 nan 8.250 nan 0.000 0.484 1042 A N 1.907 124.728 122.820 0.001 0.000 1.933 1042 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 1042 A C 2.340 179.928 177.584 0.006 0.000 1.175 1042 A CA 1.677 53.717 52.037 0.006 0.000 0.628 1042 A CB -0.513 18.492 19.000 0.009 0.000 0.814 1042 A HN 0.471 nan 8.150 nan 0.000 0.444 1043 A N -1.202 121.615 122.820 -0.004 0.000 2.238 1043 A HA 0.564 4.884 4.320 -0.000 0.000 0.210 1043 A C 2.133 179.728 177.584 0.019 0.000 1.179 1043 A CA 1.104 53.139 52.037 -0.004 0.000 0.827 1043 A CB -0.450 18.524 19.000 -0.043 0.000 0.856 1043 A HN 0.782 nan 8.150 nan 0.000 0.488 1044 A N 1.247 124.070 122.820 0.005 0.000 1.898 1044 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 1044 A C 1.923 179.537 177.584 0.051 0.000 1.183 1044 A CA 1.419 53.459 52.037 0.004 0.000 0.622 1044 A CB -0.440 18.551 19.000 -0.016 0.000 0.824 1044 A HN 0.683 nan 8.150 nan 0.000 0.444 1045 E N -0.227 119.997 120.200 0.040 0.000 2.216 1045 E HA 0.141 4.491 4.350 -0.000 0.000 0.192 1045 E C 1.813 178.447 176.600 0.057 0.000 0.988 1045 E CA 0.752 57.179 56.400 0.046 0.000 0.834 1045 E CB -0.299 29.418 29.700 0.028 0.000 0.772 1045 E HN 0.433 nan 8.360 nan 0.000 0.479 1046 A N 1.683 124.537 122.820 0.057 0.000 2.066 1046 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 1046 A C 2.081 179.709 177.584 0.074 0.000 1.157 1046 A CA 1.336 53.404 52.037 0.052 0.000 0.670 1046 A CB -0.785 18.237 19.000 0.036 0.000 0.804 1046 A HN 0.419 nan 8.150 nan 0.000 0.453 1047 H N -0.387 118.684 119.070 0.002 0.000 2.482 1047 H HA 0.018 4.574 4.556 -0.000 0.000 0.286 1047 H C 2.093 177.428 175.328 0.013 0.000 1.017 1047 H CA 1.371 57.422 56.048 0.005 0.000 1.322 1047 H CB -0.190 29.566 29.762 -0.010 0.000 1.426 1047 H HN 0.396 nan 8.280 nan 0.000 0.546 1048 G N 0.448 109.340 108.800 0.153 0.000 2.421 1048 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.217 1048 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.217 1048 G C 1.832 176.752 174.900 0.032 0.000 1.143 1048 G CA 0.769 45.929 45.100 0.100 0.000 0.784 1048 G HN 0.306 nan 8.290 nan 0.000 0.541 1049 V N 1.518 121.449 119.914 0.028 0.000 2.261 1049 V HA -0.155 3.964 4.120 -0.000 0.000 0.246 1049 V C 2.757 178.864 176.094 0.021 0.000 1.047 1049 V CA 1.566 63.879 62.300 0.023 0.000 1.015 1049 V CB -0.453 31.386 31.823 0.026 0.000 0.642 1049 V HN 0.388 nan 8.190 nan 0.000 0.446 1050 I N -0.052 120.520 120.570 0.003 0.000 2.567 1050 I HA -0.242 3.928 4.170 -0.000 0.000 0.257 1050 I C 2.657 178.764 176.117 -0.017 0.000 1.184 1050 I CA 1.522 62.840 61.300 0.030 0.000 1.451 1050 I CB -0.471 37.514 38.000 -0.025 0.000 1.089 1050 I HN 0.268 nan 8.210 nan 0.000 0.441 1051 R N 1.447 121.900 120.500 -0.079 0.000 2.148 1051 R HA -0.061 4.279 4.340 -0.000 0.000 0.223 1051 R C 0.747 177.046 176.300 -0.001 0.000 1.088 1051 R CA 1.060 57.122 56.100 -0.062 0.000 0.985 1051 R CB 0.074 30.344 30.300 -0.050 0.000 0.880 1051 R HN 0.354 nan 8.270 nan 0.000 0.451 1052 N N 0.527 119.237 118.700 0.017 0.000 2.380 1052 N HA 0.114 4.854 4.740 -0.000 0.000 0.255 1052 N C -1.108 174.426 175.510 0.040 0.000 1.158 1052 N CA 0.054 53.120 53.050 0.026 0.000 0.878 1052 N CB 1.448 39.948 38.487 0.022 0.000 1.138 1052 N HN -0.008 nan 8.380 nan 0.000 0.509 1053 S N -0.520 115.223 115.700 0.071 0.000 2.599 1053 S HA 0.530 5.000 4.470 -0.000 0.000 0.294 1053 S C -0.125 174.563 174.600 0.148 0.000 1.094 1053 S CA -0.525 57.731 58.200 0.094 0.000 0.931 1053 S CB 2.386 65.656 63.200 0.117 0.000 1.093 1053 S HN -0.008 nan 8.310 nan 0.000 0.488 1054 T N 2.552 117.172 114.554 0.110 0.000 2.770 1054 T HA 0.451 4.800 4.350 -0.000 0.000 0.283 1054 T C -1.287 173.502 174.700 0.149 0.000 0.988 1054 T CA -0.228 61.952 62.100 0.133 0.000 0.957 1054 T CB 0.170 69.074 68.868 0.060 0.000 0.930 1054 T HN 0.386 nan 8.240 nan 0.000 0.443 1055 Y N 1.748 122.043 120.300 -0.008 0.000 2.304 1055 Y HA 0.600 5.150 4.550 -0.000 0.000 0.328 1055 Y C 0.942 176.838 175.900 -0.007 0.000 1.123 1055 Y CA -0.160 57.935 58.100 -0.007 0.000 1.218 1055 Y CB 1.245 39.700 38.460 -0.007 0.000 1.207 1055 Y HN 0.840 nan 8.280 nan 0.000 0.495 1056 G N 2.015 110.844 108.800 0.048 0.000 3.015 1056 G HA2 0.280 4.240 3.960 -0.000 0.000 0.281 1056 G HA3 0.280 4.240 3.960 -0.000 0.000 0.281 1056 G C 0.289 175.202 174.900 0.021 0.000 1.386 1056 G CA -0.916 44.202 45.100 0.031 0.000 0.959 1056 G HN 0.597 nan 8.290 nan 0.000 0.522 1057 R N -0.705 119.802 120.500 0.012 0.000 2.159 1057 R HA -0.097 4.243 4.340 -0.000 0.000 0.237 1057 R C 2.514 178.807 176.300 -0.010 0.000 1.131 1057 R CA 1.893 57.998 56.100 0.008 0.000 0.982 1057 R CB -0.403 29.898 30.300 0.003 0.000 0.868 1057 R HN 0.504 nan 8.270 nan 0.000 0.453 1058 A N 0.619 123.421 122.820 -0.029 0.000 1.940 1058 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 1058 A C 1.882 179.427 177.584 -0.065 0.000 1.176 1058 A CA 1.441 53.450 52.037 -0.046 0.000 0.631 1058 A CB -0.281 18.684 19.000 -0.058 0.000 0.814 1058 A HN 0.407 nan 8.150 nan 0.000 0.446 1059 Q N -0.768 118.974 119.800 -0.097 0.000 2.472 1059 Q HA 0.323 4.663 4.340 -0.000 0.000 0.208 1059 Q C 1.689 177.674 176.000 -0.024 0.000 0.958 1059 Q CA 0.848 56.574 55.803 -0.128 0.000 0.932 1059 Q CB -0.223 28.294 28.738 -0.367 0.000 1.007 1059 Q HN 0.648 nan 8.270 nan 0.000 0.508 1060 A N 0.224 123.045 122.820 0.001 0.000 2.238 1060 A HA 0.038 4.358 4.320 -0.000 0.000 0.210 1060 A C 0.964 178.543 177.584 -0.009 0.000 1.179 1060 A CA 0.141 52.187 52.037 0.014 0.000 0.827 1060 A CB 0.248 19.261 19.000 0.023 0.000 0.856 1060 A HN 0.217 nan 8.150 nan 0.000 0.488 1061 E N -0.129 120.060 120.200 -0.018 0.000 2.437 1061 E HA 0.188 4.538 4.350 -0.000 0.000 0.195 1061 E C -0.224 176.363 176.600 -0.023 0.000 1.029 1061 E CA -0.030 56.358 56.400 -0.020 0.000 0.948 1061 E CB 0.213 29.901 29.700 -0.020 0.000 1.082 1061 E HN 0.410 nan 8.360 nan 0.000 0.456 1062 K N 0.243 120.629 120.400 -0.024 0.000 2.622 1062 K HA 0.207 4.527 4.320 -0.000 0.000 0.273 1062 K C -1.599 174.991 176.600 -0.016 0.000 0.957 1062 K CA -0.408 55.866 56.287 -0.021 0.000 0.861 1062 K CB 1.791 34.277 32.500 -0.024 0.000 1.405 1062 K HN -0.137 nan 8.250 nan 0.000 0.406 1063 S N 3.885 119.579 115.700 -0.009 0.000 2.438 1063 S HA 0.334 4.804 4.470 -0.000 0.000 0.293 1063 S C -2.454 172.167 174.600 0.036 0.000 1.141 1063 S CA -1.127 57.078 58.200 0.007 0.000 1.080 1063 S CB 1.081 64.276 63.200 -0.007 0.000 0.978 1063 S HN 0.399 nan 8.310 nan 0.000 0.479 1064 P HA 0.017 nan 4.420 nan 0.000 0.254 1064 P C 0.157 177.498 177.300 0.068 0.000 1.186 1064 P CA 0.242 63.379 63.100 0.062 0.000 0.868 1064 P CB 0.307 32.062 31.700 0.092 0.000 0.856 1065 E N 2.142 122.367 120.200 0.042 0.000 2.209 1065 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 1065 E C 1.905 178.528 176.600 0.038 0.000 0.993 1065 E CA 0.949 57.373 56.400 0.040 0.000 0.819 1065 E CB 0.009 29.723 29.700 0.025 0.000 0.745 1065 E HN 0.606 nan 8.360 nan 0.000 0.477 1066 Q N 0.831 120.651 119.800 0.033 0.000 2.079 1066 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 1066 Q C 2.147 178.162 176.000 0.025 0.000 0.974 1066 Q CA 1.015 56.834 55.803 0.026 0.000 0.840 1066 Q CB 0.054 28.805 28.738 0.022 0.000 0.898 1066 Q HN 0.314 nan 8.270 nan 0.000 0.430 1067 L N 0.305 121.547 121.223 0.032 0.000 2.093 1067 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 1067 L C 2.375 179.242 176.870 -0.005 0.000 1.085 1067 L CA 0.742 55.580 54.840 -0.003 0.000 0.755 1067 L CB -0.467 41.586 42.059 -0.011 0.000 0.904 1067 L HN 0.317 nan 8.230 nan 0.000 0.435 1068 L N -0.120 121.136 121.223 0.055 0.000 2.265 1068 L HA -0.090 4.250 4.340 -0.000 0.000 0.215 1068 L C 2.577 179.476 176.870 0.049 0.000 1.117 1068 L CA 0.966 55.850 54.840 0.074 0.000 0.782 1068 L CB -0.971 41.145 42.059 0.095 0.000 0.914 1068 L HN 0.297 nan 8.230 nan 0.000 0.441 1069 G N -0.564 108.258 108.800 0.036 0.000 2.421 1069 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.217 1069 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.217 1069 G C 1.548 176.467 174.900 0.032 0.000 1.143 1069 G CA 0.573 45.693 45.100 0.032 0.000 0.784 1069 G HN 0.162 nan 8.290 nan 0.000 0.541 1070 V N 0.890 120.816 119.914 0.021 0.000 2.273 1070 V HA 0.009 4.129 4.120 -0.000 0.000 0.242 1070 V C 2.808 178.932 176.094 0.049 0.000 1.035 1070 V CA 1.012 63.325 62.300 0.022 0.000 1.013 1070 V CB -0.511 31.306 31.823 -0.010 0.000 0.652 1070 V HN 0.292 nan 8.190 nan 0.000 0.452 1071 L N 0.108 121.344 121.223 0.021 0.000 2.263 1071 L HA -0.255 4.085 4.340 -0.000 0.000 0.216 1071 L C 2.547 179.498 176.870 0.134 0.000 1.111 1071 L CA 1.572 56.453 54.840 0.069 0.000 0.773 1071 L CB -0.466 41.606 42.059 0.022 0.000 0.906 1071 L HN 0.425 nan 8.230 nan 0.000 0.439 1072 Q N 0.511 120.367 119.800 0.092 0.000 2.089 1072 Q HA -0.156 4.184 4.340 -0.000 0.000 0.195 1072 Q C 2.258 178.302 176.000 0.073 0.000 0.963 1072 Q CA 1.298 57.148 55.803 0.078 0.000 0.834 1072 Q CB -0.133 28.640 28.738 0.058 0.000 0.906 1072 Q HN 0.224 nan 8.270 nan 0.000 0.452 1073 R N -1.088 119.456 120.500 0.074 0.000 2.159 1073 R HA -0.195 4.145 4.340 -0.000 0.000 0.237 1073 R C 1.913 178.265 176.300 0.087 0.000 1.131 1073 R CA 1.420 57.557 56.100 0.062 0.000 0.982 1073 R CB -0.306 30.026 30.300 0.054 0.000 0.868 1073 R HN 0.426 nan 8.270 nan 0.000 0.453 1074 Y N 0.843 121.134 120.300 -0.016 0.000 2.176 1074 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 1074 Y C 2.377 178.260 175.900 -0.028 0.000 1.122 1074 Y CA 1.784 59.870 58.100 -0.024 0.000 1.128 1074 Y CB -0.435 38.012 38.460 -0.022 0.000 1.005 1074 Y HN 0.067 nan 8.280 nan 0.000 0.509 1075 Q N 0.177 119.962 119.800 -0.025 0.000 2.197 1075 Q HA -0.241 4.099 4.340 -0.000 0.000 0.207 1075 Q C 1.471 177.390 176.000 -0.134 0.000 0.984 1075 Q CA 2.065 57.778 55.803 -0.149 0.000 0.869 1075 Q CB -0.191 28.520 28.738 -0.044 0.000 0.906 1075 Q HN 0.577 nan 8.270 nan 0.000 0.426 1076 D N 0.444 120.809 120.400 -0.060 0.000 2.097 1076 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 1076 D C 2.001 178.258 176.300 -0.072 0.000 0.984 1076 D CA 0.955 54.941 54.000 -0.024 0.000 0.826 1076 D CB -0.157 40.637 40.800 -0.011 0.000 0.973 1076 D HN 0.311 nan 8.370 nan 0.000 0.460 1077 L N 0.625 121.772 121.223 -0.126 0.000 2.017 1077 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 1077 L C 2.449 179.207 176.870 -0.187 0.000 1.073 1077 L CA 1.415 56.163 54.840 -0.152 0.000 0.745 1077 L CB -0.220 41.749 42.059 -0.150 0.000 0.894 1077 L HN 0.024 nan 8.230 nan 0.000 0.432 1078 C N -0.393 118.729 119.300 -0.297 0.000 2.413 1078 C HA -0.248 4.211 4.460 -0.000 0.000 0.276 1078 C C 2.623 177.580 174.990 -0.055 0.000 1.236 1078 C CA 1.308 60.174 59.018 -0.253 0.000 1.735 1078 C CB -1.474 26.029 27.740 -0.396 0.000 2.031 1078 C HN 0.728 nan 8.230 nan 0.000 0.474 1079 H N 1.255 120.224 119.070 -0.169 0.000 2.265 1079 H HA -0.188 4.368 4.556 -0.000 0.000 0.293 1079 H C 2.069 177.399 175.328 0.004 0.000 1.089 1079 H CA 2.049 58.043 56.048 -0.091 0.000 1.244 1079 H CB -0.169 29.535 29.762 -0.098 0.000 1.355 1079 H HN 0.472 nan 8.280 nan 0.000 0.485 1080 N N 0.535 119.204 118.700 -0.052 0.000 2.025 1080 N HA -0.163 4.577 4.740 -0.000 0.000 0.194 1080 N C 2.226 177.770 175.510 0.058 0.000 1.044 1080 N CA 1.398 54.393 53.050 -0.092 0.000 0.851 1080 N CB -0.791 37.626 38.487 -0.117 0.000 1.036 1080 N HN 0.213 nan 8.380 nan 0.000 0.422 1081 V N 1.263 121.186 119.914 0.013 0.000 2.231 1081 V HA -0.293 3.826 4.120 -0.000 0.000 0.250 1081 V C 2.144 178.324 176.094 0.144 0.000 1.058 1081 V CA 1.836 64.138 62.300 0.003 0.000 1.022 1081 V CB -0.832 30.860 31.823 -0.218 0.000 0.640 1081 V HN 0.311 nan 8.190 nan 0.000 0.445 1082 Y N -0.183 120.137 120.300 0.034 0.000 2.241 1082 Y HA -0.326 4.224 4.550 -0.000 0.000 0.286 1082 Y C 2.426 178.398 175.900 0.120 0.000 1.166 1082 Y CA 2.061 60.205 58.100 0.073 0.000 1.203 1082 Y CB -0.308 38.182 38.460 0.051 0.000 0.977 1082 Y HN 0.317 nan 8.280 nan 0.000 0.529 1083 C N -0.187 119.290 119.300 0.296 0.000 2.492 1083 C HA -0.086 4.374 4.460 -0.000 0.000 0.279 1083 C C 2.438 177.503 174.990 0.125 0.000 1.335 1083 C CA 0.848 59.996 59.018 0.218 0.000 1.734 1083 C CB -0.853 27.026 27.740 0.232 0.000 2.027 1083 C HN 0.590 nan 8.230 nan 0.000 0.496 1084 Q N 1.057 120.959 119.800 0.170 0.000 2.230 1084 Q HA -0.022 4.318 4.340 -0.000 0.000 0.202 1084 Q C 2.381 178.471 176.000 0.150 0.000 0.963 1084 Q CA 1.429 57.336 55.803 0.172 0.000 0.866 1084 Q CB -0.208 28.744 28.738 0.355 0.000 0.931 1084 Q HN 0.733 nan 8.270 nan 0.000 0.452 1085 A N 1.434 124.379 122.820 0.209 0.000 1.854 1085 A HA -0.158 4.162 4.320 -0.000 0.000 0.214 1085 A C 1.915 179.489 177.584 -0.017 0.000 1.192 1085 A CA 0.948 53.069 52.037 0.140 0.000 0.611 1085 A CB -0.254 18.803 19.000 0.096 0.000 0.832 1085 A HN 0.117 nan 8.150 nan 0.000 0.442 1086 E N -0.016 120.119 120.200 -0.107 0.000 2.273 1086 E HA -0.150 4.200 4.350 -0.000 0.000 0.198 1086 E C 1.965 178.561 176.600 -0.006 0.000 1.002 1086 E CA 1.579 57.918 56.400 -0.101 0.000 0.828 1086 E CB -0.642 28.991 29.700 -0.112 0.000 0.747 1086 E HN 0.625 nan 8.360 nan 0.000 0.491 1087 T N 0.966 115.542 114.554 0.037 0.000 2.732 1087 T HA -0.007 4.343 4.350 -0.000 0.000 0.261 1087 T C 2.098 176.839 174.700 0.069 0.000 1.040 1087 T CA 0.632 62.798 62.100 0.111 0.000 1.145 1087 T CB -0.108 68.795 68.868 0.058 0.000 0.866 1087 T HN 0.131 nan 8.240 nan 0.000 0.427 1088 I N 0.721 121.278 120.570 -0.021 0.000 2.286 1088 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 1088 I C 2.854 178.983 176.117 0.020 0.000 1.115 1088 I CA 1.233 62.515 61.300 -0.030 0.000 1.392 1088 I CB -0.312 37.619 38.000 -0.114 0.000 1.065 1088 I HN 0.131 nan 8.210 nan 0.000 0.418 1089 R N 0.114 120.613 120.500 -0.002 0.000 2.075 1089 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 1089 R C 2.269 178.544 176.300 -0.042 0.000 1.126 1089 R CA 1.789 57.881 56.100 -0.013 0.000 0.963 1089 R CB -0.641 29.639 30.300 -0.032 0.000 0.858 1089 R HN 0.347 nan 8.270 nan 0.000 0.435 1090 T N 0.926 115.434 114.554 -0.077 0.000 2.833 1090 T HA -0.067 4.283 4.350 -0.000 0.000 0.269 1090 T C 1.973 176.584 174.700 -0.148 0.000 1.054 1090 T CA 0.997 62.973 62.100 -0.206 0.000 1.135 1090 T CB -0.079 68.507 68.868 -0.471 0.000 0.869 1090 T HN -0.001 nan 8.240 nan 0.000 0.466 1091 V N 1.062 120.977 119.914 0.002 0.000 2.427 1091 V HA -0.092 4.028 4.120 -0.000 0.000 0.248 1091 V C 2.240 178.362 176.094 0.046 0.000 1.051 1091 V CA 1.367 63.715 62.300 0.080 0.000 1.048 1091 V CB -0.494 31.412 31.823 0.139 0.000 0.666 1091 V HN 0.499 nan 8.190 nan 0.000 0.456 1092 I N 0.121 120.707 120.570 0.026 0.000 2.270 1092 I HA -0.050 4.120 4.170 -0.000 0.000 0.239 1092 I C 2.730 178.826 176.117 -0.034 0.000 1.080 1092 I CA 1.067 62.370 61.300 0.006 0.000 1.383 1092 I CB -0.752 37.252 38.000 0.007 0.000 1.097 1092 I HN 0.223 nan 8.210 nan 0.000 0.420 1093 A N 1.935 124.726 122.820 -0.049 0.000 1.971 1093 A HA -0.248 4.072 4.320 -0.000 0.000 0.222 1093 A C 2.202 179.755 177.584 -0.052 0.000 1.182 1093 A CA 2.353 54.355 52.037 -0.058 0.000 0.649 1093 A CB -1.246 17.718 19.000 -0.060 0.000 0.818 1093 A HN 0.672 nan 8.150 nan 0.000 0.458 1094 I N -4.772 115.765 120.570 -0.054 0.000 3.564 1094 I HA 0.097 4.267 4.170 -0.000 0.000 0.294 1094 I C 1.333 177.439 176.117 -0.019 0.000 1.289 1094 I CA 0.649 61.924 61.300 -0.041 0.000 1.325 1094 I CB -0.058 37.911 38.000 -0.052 0.000 1.039 1094 I HN 0.086 nan 8.210 nan 0.000 0.474 1095 R N 1.199 121.687 120.500 -0.019 0.000 2.652 1095 R HA 0.485 4.825 4.340 -0.000 0.000 0.372 1095 R C -0.236 176.049 176.300 -0.026 0.000 1.104 1095 R CA -0.265 55.827 56.100 -0.012 0.000 1.072 1095 R CB 0.607 30.907 30.300 0.001 0.000 1.367 1095 R HN 0.321 nan 8.270 nan 0.000 0.577 1096 I N 3.984 124.535 120.570 -0.033 0.000 2.312 1096 I HA 0.185 4.355 4.170 -0.000 0.000 0.291 1096 I C -1.439 174.677 176.117 -0.001 0.000 1.031 1096 I CA -1.908 59.370 61.300 -0.037 0.000 1.293 1096 I CB 0.943 38.913 38.000 -0.050 0.000 1.403 1096 I HN -0.082 nan 8.210 nan 0.000 0.484 1097 P HA -0.001 nan 4.420 nan 0.000 0.274 1097 P C -0.236 177.088 177.300 0.041 0.000 1.264 1097 P CA -0.423 62.686 63.100 0.015 0.000 0.795 1097 P CB 0.563 32.265 31.700 0.003 0.000 1.064 1098 E N -0.008 120.211 120.200 0.033 0.000 2.529 1098 E HA -0.151 4.199 4.350 -0.000 0.000 0.259 1098 E C -0.125 176.518 176.600 0.073 0.000 0.966 1098 E CA -0.008 56.422 56.400 0.050 0.000 0.937 1098 E CB -0.023 29.692 29.700 0.024 0.000 0.923 1098 E HN 0.381 nan 8.360 nan 0.000 0.468 1099 H N 4.613 123.692 119.070 0.015 0.000 3.082 1099 H HA 0.122 4.677 4.556 -0.000 0.000 0.275 1099 H C -0.719 174.616 175.328 0.012 0.000 1.032 1099 H CA 0.653 56.713 56.048 0.020 0.000 1.477 1099 H CB 0.191 29.965 29.762 0.020 0.000 1.520 1099 H HN 0.346 nan 8.280 nan 0.000 0.521 1100 K N 3.148 123.311 120.400 -0.395 0.000 2.378 1100 K HA 0.235 4.555 4.320 -0.000 0.000 0.244 1100 K C 0.184 176.561 176.600 -0.372 0.000 1.039 1100 K CA -0.959 55.143 56.287 -0.307 0.000 0.863 1100 K CB 1.444 33.860 32.500 -0.140 0.000 1.326 1100 K HN 0.540 nan 8.250 nan 0.000 0.460 1101 E N 1.425 121.499 120.200 -0.210 0.000 2.501 1101 E HA 0.048 4.398 4.350 -0.000 0.000 0.200 1101 E C -0.714 175.833 176.600 -0.089 0.000 1.016 1101 E CA 0.248 56.561 56.400 -0.145 0.000 0.921 1101 E CB 0.721 30.365 29.700 -0.094 0.000 1.034 1101 E HN 0.577 nan 8.360 nan 0.000 0.468 1102 E N -0.559 119.590 120.200 -0.086 0.000 2.433 1102 E HA 0.311 4.661 4.350 -0.000 0.000 0.278 1102 E C -0.689 175.879 176.600 -0.052 0.000 0.976 1102 E CA -0.812 55.554 56.400 -0.057 0.000 0.793 1102 E CB 1.038 30.710 29.700 -0.048 0.000 1.311 1102 E HN -0.253 nan 8.360 nan 0.000 0.460 1103 D N 0.495 120.871 120.400 -0.039 0.000 2.723 1103 D HA -0.146 4.494 4.640 -0.000 0.000 0.236 1103 D C -0.692 175.590 176.300 -0.030 0.000 1.138 1103 D CA 0.576 54.555 54.000 -0.034 0.000 0.676 1103 D CB -1.310 39.468 40.800 -0.038 0.000 1.069 1103 D HN 0.571 nan 8.370 nan 0.000 0.430 1104 N N 0.249 118.935 118.700 -0.023 0.000 2.321 1104 N HA 0.138 4.878 4.740 -0.000 0.000 0.242 1104 N C 1.802 177.313 175.510 0.002 0.000 1.141 1104 N CA -0.280 52.767 53.050 -0.006 0.000 0.864 1104 N CB 0.216 38.703 38.487 0.000 0.000 1.100 1104 N HN 0.414 nan 8.380 nan 0.000 0.510 1105 L N -0.273 120.944 121.223 -0.011 0.000 2.093 1105 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 1105 L C 2.348 179.209 176.870 -0.015 0.000 1.085 1105 L CA 1.388 56.220 54.840 -0.013 0.000 0.755 1105 L CB -0.380 41.666 42.059 -0.022 0.000 0.904 1105 L HN 0.221 nan 8.230 nan 0.000 0.435 1106 G N -0.716 108.071 108.800 -0.023 0.000 2.396 1106 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.214 1106 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.214 1106 G C 1.581 176.470 174.900 -0.017 0.000 1.166 1106 G CA 0.562 45.641 45.100 -0.034 0.000 0.793 1106 G HN 0.148 nan 8.290 nan 0.000 0.533 1107 V N 1.927 121.844 119.914 0.004 0.000 2.380 1107 V HA -0.224 3.896 4.120 -0.000 0.000 0.251 1107 V C 3.333 179.485 176.094 0.098 0.000 1.063 1107 V CA 2.072 64.394 62.300 0.037 0.000 1.055 1107 V CB -1.007 30.869 31.823 0.087 0.000 0.657 1107 V HN 0.464 nan 8.190 nan 0.000 0.455 1108 A N -0.154 122.720 122.820 0.090 0.000 1.883 1108 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 1108 A C 2.416 180.048 177.584 0.079 0.000 1.186 1108 A CA 2.217 54.315 52.037 0.102 0.000 0.624 1108 A CB -0.755 18.276 19.000 0.052 0.000 0.822 1108 A HN 0.350 nan 8.150 nan 0.000 0.444 1109 V N 0.152 120.083 119.914 0.029 0.000 2.287 1109 V HA -0.349 3.771 4.120 -0.000 0.000 0.248 1109 V C 2.681 178.779 176.094 0.006 0.000 1.053 1109 V CA 2.312 64.617 62.300 0.008 0.000 1.027 1109 V CB -1.000 30.806 31.823 -0.029 0.000 0.646 1109 V HN 0.652 nan 8.190 nan 0.000 0.447 1110 Q N -0.926 118.859 119.800 -0.026 0.000 2.002 1110 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 1110 Q C 2.336 178.291 176.000 -0.074 0.000 0.988 1110 Q CA 1.891 57.647 55.803 -0.078 0.000 0.843 1110 Q CB -0.400 28.240 28.738 -0.164 0.000 0.908 1110 Q HN 0.690 nan 8.270 nan 0.000 0.420 1111 H N 0.074 119.157 119.070 0.022 0.000 2.387 1111 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 1111 H C 2.092 177.438 175.328 0.030 0.000 1.099 1111 H CA 1.427 57.491 56.048 0.026 0.000 1.315 1111 H CB -0.180 29.597 29.762 0.025 0.000 1.380 1111 H HN 0.347 nan 8.280 nan 0.000 0.513 1112 A N 0.579 123.481 122.820 0.137 0.000 1.858 1112 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 1112 A C 2.888 180.520 177.584 0.081 0.000 1.190 1112 A CA 1.854 53.947 52.037 0.093 0.000 0.617 1112 A CB -0.954 18.087 19.000 0.067 0.000 0.827 1112 A HN 0.217 nan 8.150 nan 0.000 0.443 1113 V N 0.190 120.146 119.914 0.069 0.000 2.343 1113 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 1113 V C 2.567 178.711 176.094 0.084 0.000 1.051 1113 V CA 1.866 64.215 62.300 0.081 0.000 1.036 1113 V CB -0.770 31.102 31.823 0.081 0.000 0.654 1113 V HN 0.558 nan 8.190 nan 0.000 0.451 1114 L N -0.168 121.095 121.223 0.067 0.000 2.081 1114 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 1114 L C 2.606 179.522 176.870 0.077 0.000 1.080 1114 L CA 2.075 56.953 54.840 0.062 0.000 0.754 1114 L CB -0.565 41.521 42.059 0.044 0.000 0.893 1114 L HN 0.361 nan 8.230 nan 0.000 0.433 1115 K N 0.647 121.100 120.400 0.088 0.000 2.057 1115 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 1115 K C 2.158 178.804 176.600 0.077 0.000 1.050 1115 K CA 1.339 57.675 56.287 0.082 0.000 0.935 1115 K CB -0.079 32.469 32.500 0.080 0.000 0.715 1115 K HN 0.259 nan 8.250 nan 0.000 0.439 1116 I N 0.821 121.440 120.570 0.081 0.000 2.361 1116 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 1116 I C 1.867 178.038 176.117 0.089 0.000 1.133 1116 I CA 1.110 62.461 61.300 0.083 0.000 1.413 1116 I CB 0.054 38.108 38.000 0.090 0.000 1.073 1116 I HN 0.259 nan 8.210 nan 0.000 0.424 1117 I N 0.852 121.479 120.570 0.094 0.000 2.252 1117 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 1117 I C 1.935 178.094 176.117 0.071 0.000 1.102 1117 I CA 1.322 62.681 61.300 0.098 0.000 1.385 1117 I CB -0.515 37.540 38.000 0.092 0.000 1.064 1117 I HN 0.258 nan 8.210 nan 0.000 0.414 1118 D N 0.434 120.872 120.400 0.063 0.000 2.178 1118 D HA -0.216 4.424 4.640 -0.000 0.000 0.202 1118 D C 1.951 178.294 176.300 0.071 0.000 0.974 1118 D CA 1.017 55.052 54.000 0.058 0.000 0.841 1118 D CB -0.171 40.666 40.800 0.060 0.000 0.953 1118 D HN 0.433 nan 8.370 nan 0.000 0.478 1119 E N 0.182 120.425 120.200 0.073 0.000 2.150 1119 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 1119 E C 2.090 178.738 176.600 0.080 0.000 0.985 1119 E CA 0.285 56.732 56.400 0.078 0.000 0.814 1119 E CB 0.081 29.828 29.700 0.078 0.000 0.752 1119 E HN 0.101 nan 8.360 nan 0.000 0.466 1120 L N 1.256 122.519 121.223 0.066 0.000 2.023 1120 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 1120 L C 1.866 178.769 176.870 0.056 0.000 1.073 1120 L CA 1.827 56.691 54.840 0.041 0.000 0.745 1120 L CB -0.363 41.714 42.059 0.029 0.000 0.900 1120 L HN 0.026 nan 8.230 nan 0.000 0.435 1121 E N -0.271 119.971 120.200 0.069 0.000 2.160 1121 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 1121 E C 2.274 178.985 176.600 0.185 0.000 0.991 1121 E CA 1.577 58.051 56.400 0.123 0.000 0.810 1121 E CB -0.210 29.517 29.700 0.045 0.000 0.742 1121 E HN 0.595 nan 8.360 nan 0.000 0.466 1122 I N 0.895 121.545 120.570 0.134 0.000 2.252 1122 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 1122 I C 2.216 178.403 176.117 0.117 0.000 1.102 1122 I CA 0.840 62.216 61.300 0.126 0.000 1.385 1122 I CB -0.073 37.988 38.000 0.100 0.000 1.064 1122 I HN 0.029 nan 8.210 nan 0.000 0.414 1123 K N 0.460 120.927 120.400 0.112 0.000 2.002 1123 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 1123 K C 2.155 178.814 176.600 0.099 0.000 1.048 1123 K CA 2.208 58.566 56.287 0.119 0.000 0.930 1123 K CB -1.186 31.399 32.500 0.141 0.000 0.714 1123 K HN 0.445 nan 8.250 nan 0.000 0.438 1124 T N 0.792 115.389 114.554 0.073 0.000 2.684 1124 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 1124 T C 2.045 176.760 174.700 0.025 0.000 1.036 1124 T CA 1.218 63.334 62.100 0.025 0.000 1.148 1124 T CB -0.557 68.330 68.868 0.031 0.000 0.863 1124 T HN 0.045 nan 8.240 nan 0.000 0.436 1125 L N 1.903 123.181 121.223 0.091 0.000 2.187 1125 L HA 0.235 4.575 4.340 -0.000 0.000 0.213 1125 L C 1.418 178.347 176.870 0.099 0.000 1.100 1125 L CA 1.602 56.477 54.840 0.058 0.000 0.765 1125 L CB -1.316 40.811 42.059 0.114 0.000 0.904 1125 L HN 0.925 nan 8.230 nan 0.000 0.437 1126 G N -2.156 106.707 108.800 0.105 0.000 2.741 1126 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.222 1126 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.222 1126 G C 0.609 175.576 174.900 0.111 0.000 1.364 1126 G CA 0.352 45.523 45.100 0.118 0.000 0.866 1126 G HN 0.568 nan 8.290 nan 0.000 0.555 1127 S N -0.448 115.311 115.700 0.098 0.000 2.325 1127 S HA 0.421 4.891 4.470 -0.000 0.000 0.213 1127 S C 2.342 176.984 174.600 0.069 0.000 1.031 1127 S CA 1.766 60.008 58.200 0.071 0.000 0.984 1127 S CB -0.682 62.547 63.200 0.049 0.000 0.939 1127 S HN 2.929 nan 8.310 nan 0.000 0.438 1128 G N 1.151 110.000 108.800 0.082 0.000 2.715 1128 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.221 1128 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.221 1128 G C -0.079 174.831 174.900 0.017 0.000 1.204 1128 G CA 0.119 45.239 45.100 0.033 0.000 1.063 1128 G HN 0.439 nan 8.290 nan 0.000 0.586 1129 E N -0.557 119.638 120.200 -0.009 0.000 2.614 1129 E HA 0.215 4.565 4.350 -0.000 0.000 0.192 1129 E C -0.144 176.452 176.600 -0.007 0.000 0.930 1129 E CA 0.182 56.580 56.400 -0.003 0.000 1.346 1129 E CB 1.019 30.712 29.700 -0.011 0.000 1.252 1129 E HN 0.420 nan 8.360 nan 0.000 0.647 1130 K N 1.377 121.770 120.400 -0.011 0.000 2.443 1130 K HA 0.566 4.886 4.320 -0.000 0.000 0.252 1130 K C -1.042 175.559 176.600 0.000 0.000 0.933 1130 K CA -0.376 55.907 56.287 -0.008 0.000 0.792 1130 K CB 1.691 34.181 32.500 -0.016 0.000 1.185 1130 K HN 0.055 nan 8.250 nan 0.000 0.425 1131 S N 1.347 117.049 115.700 0.004 0.000 2.688 1131 S HA 0.661 5.131 4.470 -0.000 0.000 0.275 1131 S C -0.296 174.310 174.600 0.011 0.000 1.175 1131 S CA -0.813 57.392 58.200 0.009 0.000 0.818 1131 S CB 0.720 63.928 63.200 0.013 0.000 1.157 1131 S HN 0.743 nan 8.310 nan 0.000 0.482 1132 G N 1.132 109.942 108.800 0.016 0.000 2.343 1132 G HA2 0.372 4.332 3.960 -0.000 0.000 0.254 1132 G HA3 0.372 4.332 3.960 -0.000 0.000 0.254 1132 G C 1.117 176.026 174.900 0.015 0.000 1.277 1132 G CA 0.082 45.193 45.100 0.018 0.000 0.909 1132 G HN 1.616 nan 8.290 nan 0.000 0.502 1133 S N 1.608 117.316 115.700 0.013 0.000 2.462 1133 S HA -0.225 4.244 4.470 -0.000 0.000 0.255 1133 S C 2.188 176.794 174.600 0.010 0.000 1.058 1133 S CA 1.649 59.855 58.200 0.010 0.000 1.019 1133 S CB -0.392 62.815 63.200 0.010 0.000 0.801 1133 S HN 0.983 nan 8.310 nan 0.000 0.491 1134 G N 0.412 109.220 108.800 0.013 0.000 2.813 1134 G HA2 0.460 4.420 3.960 -0.000 0.000 0.209 1134 G HA3 0.460 4.420 3.960 -0.000 0.000 0.209 1134 G C 0.944 175.849 174.900 0.007 0.000 1.150 1134 G CA 0.144 45.251 45.100 0.011 0.000 0.785 1134 G HN 1.317 nan 8.290 nan 0.000 0.535 1135 G N -0.469 108.336 108.800 0.008 0.000 2.488 1135 G HA2 0.239 4.199 3.960 -0.000 0.000 0.237 1135 G HA3 0.239 4.199 3.960 -0.000 0.000 0.237 1135 G C 0.485 175.390 174.900 0.008 0.000 1.209 1135 G CA 0.345 45.448 45.100 0.006 0.000 0.929 1135 G HN 1.380 nan 8.290 nan 0.000 0.578 1136 A N 0.532 123.353 122.820 0.002 0.000 2.795 1136 A HA 0.733 5.052 4.320 -0.000 0.000 0.282 1136 A C -0.519 177.058 177.584 -0.012 0.000 0.964 1136 A CA 0.828 52.867 52.037 0.002 0.000 1.045 1136 A CB 0.550 19.553 19.000 0.004 0.000 1.174 1136 A HN 0.671 nan 8.150 nan 0.000 0.493 1137 P HA -0.061 nan 4.420 nan 0.000 0.234 1137 P C 0.651 177.920 177.300 -0.052 0.000 1.167 1137 P CA 0.997 64.075 63.100 -0.037 0.000 0.763 1137 P CB -0.254 31.425 31.700 -0.035 0.000 0.835 1138 T N 0.896 115.433 114.554 -0.028 0.000 2.779 1138 T HA 0.221 4.571 4.350 -0.000 0.000 0.296 1138 T C -1.654 173.033 174.700 -0.022 0.000 0.938 1138 T CA -1.706 60.382 62.100 -0.019 0.000 1.119 1138 T CB 0.352 69.237 68.868 0.028 0.000 0.891 1138 T HN -0.117 nan 8.240 nan 0.000 0.526 1139 P HA -0.085 nan 4.420 nan 0.000 0.224 1139 P C 0.106 177.377 177.300 -0.050 0.000 0.880 1139 P CA 0.864 63.931 63.100 -0.055 0.000 1.070 1139 P CB 0.181 31.858 31.700 -0.039 0.000 0.652 1140 I N -2.267 118.291 120.570 -0.019 0.000 2.545 1140 I HA 0.518 4.688 4.170 -0.000 0.000 0.292 1140 I C 0.636 176.833 176.117 0.133 0.000 1.040 1140 I CA -1.016 60.285 61.300 0.003 0.000 1.068 1140 I CB 1.791 39.730 38.000 -0.102 0.000 1.251 1140 I HN 0.119 nan 8.210 nan 0.000 0.424 1141 G N 5.334 114.223 108.800 0.150 0.000 2.527 1141 G HA2 0.067 4.027 3.960 -0.000 0.000 0.279 1141 G HA3 0.067 4.027 3.960 -0.000 0.000 0.279 1141 G C 0.482 175.493 174.900 0.185 0.000 1.374 1141 G CA -0.144 45.066 45.100 0.183 0.000 1.053 1141 G HN 0.803 nan 8.290 nan 0.000 0.539 1142 M N -1.792 117.813 119.600 0.008 0.000 2.453 1142 M HA 0.433 4.913 4.480 -0.000 0.000 0.239 1142 M C -0.159 175.933 176.300 -0.348 0.000 1.151 1142 M CA 0.324 55.498 55.300 -0.208 0.000 0.989 1142 M CB 0.361 32.716 32.600 -0.409 0.000 1.548 1142 M HN 0.337 nan 8.290 nan 0.000 0.479 1143 Y N 0.356 120.711 120.300 0.093 0.000 2.751 1143 Y HA 0.604 5.154 4.550 -0.000 0.000 0.289 1143 Y C 1.873 177.867 175.900 0.157 0.000 1.110 1143 Y CA -0.331 57.824 58.100 0.092 0.000 1.251 1143 Y CB -0.070 38.424 38.460 0.057 0.000 1.178 1143 Y HN 0.424 nan 8.280 nan 0.000 0.540 1144 A N 0.038 123.023 122.820 0.277 0.000 1.883 1144 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 1144 A C 2.077 179.867 177.584 0.343 0.000 1.186 1144 A CA 1.587 53.824 52.037 0.334 0.000 0.624 1144 A CB -0.588 18.580 19.000 0.281 0.000 0.822 1144 A HN 0.477 nan 8.150 nan 0.000 0.444 1145 L N -0.350 121.024 121.223 0.251 0.000 1.997 1145 L HA -0.222 4.118 4.340 -0.000 0.000 0.216 1145 L C 2.568 179.567 176.870 0.214 0.000 1.074 1145 L CA 2.558 57.532 54.840 0.224 0.000 0.763 1145 L CB -0.763 41.391 42.059 0.158 0.000 0.890 1145 L HN 0.509 nan 8.230 nan 0.000 0.434 1146 R N 0.064 120.688 120.500 0.207 0.000 2.080 1146 R HA -0.179 4.161 4.340 -0.000 0.000 0.236 1146 R C 2.164 178.551 176.300 0.145 0.000 1.137 1146 R CA 2.018 58.214 56.100 0.161 0.000 0.943 1146 R CB -0.505 29.904 30.300 0.182 0.000 0.846 1146 R HN 0.526 nan 8.270 nan 0.000 0.431 1147 E N -1.215 119.120 120.200 0.225 0.000 2.110 1147 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 1147 E C 1.687 178.389 176.600 0.169 0.000 0.988 1147 E CA 1.244 57.792 56.400 0.247 0.000 0.804 1147 E CB -0.321 29.608 29.700 0.382 0.000 0.745 1147 E HN 0.375 nan 8.360 nan 0.000 0.458 1148 Y N 1.576 121.825 120.300 -0.086 0.000 2.089 1148 Y HA -0.188 4.362 4.550 -0.000 0.000 0.282 1148 Y C 1.906 177.586 175.900 -0.367 0.000 1.139 1148 Y CA 1.399 59.111 58.100 -0.647 0.000 1.123 1148 Y CB -0.440 37.704 38.460 -0.527 0.000 0.980 1148 Y HN -0.074 nan 8.280 nan 0.000 0.493 1149 L N -0.756 120.278 121.223 -0.315 0.000 2.079 1149 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 1149 L C 2.771 179.494 176.870 -0.246 0.000 1.081 1149 L CA 1.697 56.325 54.840 -0.353 0.000 0.752 1149 L CB -0.849 41.126 42.059 -0.141 0.000 0.896 1149 L HN 0.252 nan 8.230 nan 0.000 0.433 1150 S N -0.464 115.154 115.700 -0.137 0.000 2.402 1150 S HA -0.094 4.376 4.470 -0.000 0.000 0.229 1150 S C 2.058 176.600 174.600 -0.096 0.000 1.021 1150 S CA 1.072 59.223 58.200 -0.082 0.000 0.974 1150 S CB 0.045 63.235 63.200 -0.016 0.000 0.800 1150 S HN 0.436 nan 8.310 nan 0.000 0.484 1151 A N 1.486 124.224 122.820 -0.136 0.000 1.872 1151 A HA 0.087 4.407 4.320 -0.000 0.000 0.214 1151 A C 2.203 179.691 177.584 -0.160 0.000 1.187 1151 A CA 1.212 53.187 52.037 -0.104 0.000 0.614 1151 A CB -0.655 18.303 19.000 -0.069 0.000 0.826 1151 A HN 0.550 nan 8.150 nan 0.000 0.442 1152 R N -0.405 119.910 120.500 -0.308 0.000 2.075 1152 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 1152 R C 2.552 178.740 176.300 -0.186 0.000 1.126 1152 R CA 1.573 57.501 56.100 -0.288 0.000 0.963 1152 R CB -0.317 29.677 30.300 -0.511 0.000 0.858 1152 R HN 0.528 nan 8.270 nan 0.000 0.435 1153 S N -0.535 115.052 115.700 -0.187 0.000 2.365 1153 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 1153 S C 1.719 176.271 174.600 -0.079 0.000 1.039 1153 S CA 2.152 60.280 58.200 -0.120 0.000 1.033 1153 S CB -0.384 62.753 63.200 -0.106 0.000 0.887 1153 S HN 0.483 nan 8.310 nan 0.000 0.447 1154 T N 1.244 115.756 114.554 -0.070 0.000 2.833 1154 T HA -0.029 4.321 4.350 -0.000 0.000 0.269 1154 T C 1.723 176.400 174.700 -0.038 0.000 1.054 1154 T CA 1.451 63.524 62.100 -0.044 0.000 1.135 1154 T CB -0.265 68.584 68.868 -0.032 0.000 0.869 1154 T HN 0.321 nan 8.240 nan 0.000 0.466 1155 V N 1.064 120.950 119.914 -0.047 0.000 2.788 1155 V HA 0.013 4.133 4.120 -0.000 0.000 0.251 1155 V C 2.187 178.263 176.094 -0.030 0.000 1.068 1155 V CA 1.028 63.308 62.300 -0.034 0.000 1.090 1155 V CB -0.405 31.396 31.823 -0.036 0.000 0.710 1155 V HN 0.506 nan 8.190 nan 0.000 0.467 1156 E N -0.098 120.077 120.200 -0.042 0.000 2.418 1156 E HA -0.151 4.199 4.350 -0.000 0.000 0.197 1156 E C 1.486 178.071 176.600 -0.026 0.000 1.026 1156 E CA 0.711 57.091 56.400 -0.033 0.000 0.862 1156 E CB 0.035 29.706 29.700 -0.047 0.000 0.799 1156 E HN 0.577 nan 8.360 nan 0.000 0.518 1157 D N 0.457 120.841 120.400 -0.027 0.000 2.216 1157 D HA -0.015 4.625 4.640 -0.000 0.000 0.208 1157 D C 1.560 177.851 176.300 -0.015 0.000 0.960 1157 D CA 0.673 54.660 54.000 -0.021 0.000 0.861 1157 D CB 0.285 41.071 40.800 -0.022 0.000 0.985 1157 D HN 0.067 nan 8.370 nan 0.000 0.493 1158 K N 0.410 120.801 120.400 -0.014 0.000 2.103 1158 K HA 0.047 4.367 4.320 -0.000 0.000 0.204 1158 K C 2.214 178.810 176.600 -0.006 0.000 1.052 1158 K CA 0.432 56.714 56.287 -0.010 0.000 0.945 1158 K CB 0.206 32.701 32.500 -0.009 0.000 0.722 1158 K HN 0.087 nan 8.250 nan 0.000 0.443 1159 L N 0.890 122.109 121.223 -0.006 0.000 2.240 1159 L HA 0.010 4.350 4.340 -0.000 0.000 0.211 1159 L C 0.478 177.347 176.870 -0.001 0.000 1.106 1159 L CA 0.480 55.320 54.840 -0.000 0.000 0.793 1159 L CB 0.077 42.139 42.059 0.006 0.000 0.927 1159 L HN 0.111 nan 8.230 nan 0.000 0.446 1160 L N -0.415 120.804 121.223 -0.006 0.000 2.277 1160 L HA 0.477 4.817 4.340 -0.000 0.000 0.284 1160 L C 0.432 177.297 176.870 -0.007 0.000 1.028 1160 L CA -0.201 54.635 54.840 -0.007 0.000 0.835 1160 L CB 1.133 43.186 42.059 -0.011 0.000 1.215 1160 L HN -0.074 nan 8.230 nan 0.000 0.425 1161 G N 2.288 111.084 108.800 -0.006 0.000 5.284 1161 G HA2 0.213 4.173 3.960 -0.000 0.000 0.236 1161 G HA3 0.213 4.173 3.960 -0.000 0.000 0.236 1161 G C -0.000 174.896 174.900 -0.006 0.000 0.870 1161 G CA -0.242 44.854 45.100 -0.007 0.000 0.724 1161 G HN 0.279 nan 8.290 nan 0.000 0.336 1162 V N 1.199 121.109 119.914 -0.006 0.000 2.931 1162 V HA 0.126 4.246 4.120 -0.000 0.000 0.290 1162 V C -0.006 176.085 176.094 -0.005 0.000 1.315 1162 V CA 0.760 63.056 62.300 -0.005 0.000 1.393 1162 V CB 0.436 32.255 31.823 -0.006 0.000 0.887 1162 V HN 0.406 nan 8.190 nan 0.000 0.520 1163 D N 0.340 120.737 120.400 -0.004 0.000 2.653 1163 D HA 0.664 5.303 4.640 -0.000 0.000 0.258 1163 D C -0.482 175.816 176.300 -0.004 0.000 1.252 1163 D CA -0.055 53.943 54.000 -0.004 0.000 0.777 1163 D CB 1.814 42.611 40.800 -0.004 0.000 1.339 1163 D HN 0.847 nan 8.370 nan 0.000 0.422 1164 A N 0.443 123.261 122.820 -0.004 0.000 2.312 1164 A HA 0.774 5.094 4.320 -0.000 0.000 0.328 1164 A C -0.685 176.898 177.584 -0.003 0.000 1.158 1164 A CA -0.274 51.761 52.037 -0.003 0.000 0.821 1164 A CB 0.791 19.788 19.000 -0.004 0.000 1.170 1164 A HN 0.450 nan 8.150 nan 0.000 0.490 1165 E N 0.704 120.903 120.200 -0.003 0.000 2.506 1165 E HA 0.404 4.754 4.350 -0.000 0.000 0.308 1165 E C -0.585 176.014 176.600 -0.002 0.000 0.931 1165 E CA -0.259 56.139 56.400 -0.002 0.000 0.800 1165 E CB 1.530 31.228 29.700 -0.002 0.000 1.292 1165 E HN 0.687 nan 8.360 nan 0.000 0.401 1166 S N 1.050 116.748 115.700 -0.002 0.000 3.091 1166 S HA -0.222 4.248 4.470 -0.000 0.000 0.275 1166 S C 0.947 175.546 174.600 -0.002 0.000 1.306 1166 S CA 1.522 59.721 58.200 -0.002 0.000 1.083 1166 S CB -1.180 62.019 63.200 -0.002 0.000 1.313 1166 S HN 1.228 nan 8.310 nan 0.000 0.673 1167 G N 0.166 108.965 108.800 -0.002 0.000 2.493 1167 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.206 1167 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.206 1167 G C -0.201 174.697 174.900 -0.002 0.000 1.109 1167 G CA 0.243 45.342 45.100 -0.002 0.000 0.689 1167 G HN 0.620 nan 8.290 nan 0.000 0.516 1168 K N 0.687 121.086 120.400 -0.002 0.000 2.281 1168 K HA 0.667 4.987 4.320 -0.000 0.000 0.242 1168 K C -0.912 175.686 176.600 -0.002 0.000 0.971 1168 K CA -0.480 55.806 56.287 -0.002 0.000 0.834 1168 K CB 1.914 34.413 32.500 -0.002 0.000 1.181 1168 K HN 0.116 nan 8.250 nan 0.000 0.435 1169 T N 1.879 116.432 114.554 -0.003 0.000 2.824 1169 T HA 0.370 4.720 4.350 -0.000 0.000 0.280 1169 T C -0.480 174.219 174.700 -0.002 0.000 0.995 1169 T CA -0.715 61.384 62.100 -0.003 0.000 1.009 1169 T CB 1.054 69.920 68.868 -0.003 0.000 0.955 1169 T HN 0.316 nan 8.240 nan 0.000 0.452 1170 K N 0.690 121.089 120.400 -0.002 0.000 2.444 1170 K HA 0.744 5.064 4.320 -0.000 0.000 0.252 1170 K C -0.277 176.322 176.600 -0.002 0.000 0.993 1170 K CA -1.073 55.213 56.287 -0.002 0.000 0.847 1170 K CB 2.581 35.080 32.500 -0.001 0.000 1.340 1170 K HN 0.722 nan 8.250 nan 0.000 0.446 1171 G N -1.192 107.608 108.800 -0.001 0.000 2.569 1171 G HA2 0.558 4.518 3.960 -0.000 0.000 0.300 1171 G HA3 0.558 4.518 3.960 -0.000 0.000 0.300 1171 G C -0.473 174.427 174.900 -0.001 0.000 1.269 1171 G CA -0.801 44.298 45.100 -0.002 0.000 0.959 1171 G HN 0.583 nan 8.290 nan 0.000 0.478 1172 G N -0.698 108.101 108.800 -0.002 0.000 4.543 1172 G HA2 0.529 4.489 3.960 -0.000 0.000 0.286 1172 G HA3 0.529 4.489 3.960 -0.000 0.000 0.286 1172 G C 0.424 175.323 174.900 -0.002 0.000 1.112 1172 G CA 0.375 45.475 45.100 -0.002 0.000 0.870 1172 G HN 0.897 nan 8.290 nan 0.000 0.540 1173 G N 0.234 109.034 108.800 -0.001 0.000 2.476 1173 G HA2 0.427 4.387 3.960 -0.000 0.000 0.286 1173 G HA3 0.427 4.387 3.960 -0.000 0.000 0.286 1173 G C 0.543 175.443 174.900 -0.000 0.000 1.177 1173 G CA 0.226 45.325 45.100 -0.001 0.000 0.870 1173 G HN 0.538 nan 8.290 nan 0.000 0.528 1174 S N -0.127 115.572 115.700 -0.001 0.000 2.542 1174 S HA -0.043 4.427 4.470 -0.000 0.000 0.287 1174 S C 1.270 175.871 174.600 0.001 0.000 1.315 1174 S CA 0.346 58.546 58.200 -0.001 0.000 1.037 1174 S CB 0.675 63.874 63.200 -0.002 0.000 0.822 1174 S HN 0.597 nan 8.310 nan 0.000 0.513 1175 Q N 2.104 121.905 119.800 0.001 0.000 2.141 1175 Q HA 0.127 4.467 4.340 -0.000 0.000 0.194 1175 Q C 0.995 176.997 176.000 0.003 0.000 0.975 1175 Q CA 0.688 56.492 55.803 0.002 0.000 0.834 1175 Q CB -1.265 27.474 28.738 0.002 0.000 0.916 1175 Q HN 0.893 nan 8.270 nan 0.000 0.484 1176 S N 3.752 119.453 115.700 0.001 0.000 4.667 1176 S HA -0.106 4.364 4.470 -0.000 0.000 0.551 1176 S C -1.406 173.195 174.600 0.002 0.000 0.855 1176 S CA -0.294 57.906 58.200 0.001 0.000 1.181 1176 S CB 0.327 63.527 63.200 -0.001 0.000 1.890 1176 S HN 0.127 nan 8.310 nan 0.000 0.374 1177 P HA -0.048 nan 4.420 nan 0.000 0.222 1177 P C 1.237 178.537 177.300 -0.000 0.000 1.147 1177 P CA 0.898 64.000 63.100 0.004 0.000 0.790 1177 P CB -0.041 31.661 31.700 0.004 0.000 0.780 1178 S N -0.039 115.659 115.700 -0.003 0.000 2.406 1178 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 1178 S C 1.823 176.416 174.600 -0.012 0.000 1.020 1178 S CA 0.461 58.656 58.200 -0.008 0.000 0.965 1178 S CB -0.960 62.236 63.200 -0.007 0.000 0.798 1178 S HN 0.077 nan 8.310 nan 0.000 0.488 1179 L N 1.480 122.699 121.223 -0.007 0.000 2.191 1179 L HA 0.037 4.377 4.340 -0.000 0.000 0.212 1179 L C 1.891 178.755 176.870 -0.010 0.000 1.103 1179 L CA 1.204 56.039 54.840 -0.008 0.000 0.769 1179 L CB -0.455 41.602 42.059 -0.004 0.000 0.908 1179 L HN 0.269 nan 8.230 nan 0.000 0.438 1180 L N -1.226 119.995 121.223 -0.003 0.000 2.072 1180 L HA -0.085 4.254 4.340 -0.000 0.000 0.205 1180 L C 2.144 178.996 176.870 -0.029 0.000 1.079 1180 L CA 1.619 56.464 54.840 0.008 0.000 0.752 1180 L CB -0.448 41.628 42.059 0.028 0.000 0.906 1180 L HN 0.235 nan 8.230 nan 0.000 0.436 1181 L N -0.575 120.621 121.223 -0.044 0.000 2.201 1181 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 1181 L C 2.468 179.267 176.870 -0.119 0.000 1.105 1181 L CA 1.229 56.016 54.840 -0.089 0.000 0.775 1181 L CB -0.442 41.585 42.059 -0.054 0.000 0.913 1181 L HN 0.434 nan 8.230 nan 0.000 0.440 1182 E N 0.449 120.604 120.200 -0.075 0.000 2.152 1182 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 1182 E C 2.161 178.712 176.600 -0.081 0.000 0.983 1182 E CA 0.618 56.983 56.400 -0.060 0.000 0.818 1182 E CB 0.116 29.799 29.700 -0.027 0.000 0.758 1182 E HN 0.314 nan 8.360 nan 0.000 0.467 1183 L N 1.137 122.302 121.223 -0.096 0.000 2.141 1183 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 1183 L C 2.348 179.073 176.870 -0.243 0.000 1.094 1183 L CA 1.581 56.367 54.840 -0.090 0.000 0.763 1183 L CB -0.280 41.777 42.059 -0.003 0.000 0.908 1183 L HN -0.016 nan 8.230 nan 0.000 0.437 1184 R N -1.310 118.891 120.500 -0.498 0.000 2.090 1184 R HA -0.161 4.179 4.340 -0.000 0.000 0.228 1184 R C 2.272 178.334 176.300 -0.398 0.000 1.110 1184 R CA 1.228 56.779 56.100 -0.915 0.000 0.973 1184 R CB -0.125 29.615 30.300 -0.932 0.000 0.869 1184 R HN 0.359 nan 8.270 nan 0.000 0.440 1185 Q N 0.742 120.415 119.800 -0.211 0.000 2.123 1185 Q HA 0.017 4.357 4.340 -0.000 0.000 0.199 1185 Q C 1.865 177.875 176.000 0.015 0.000 0.966 1185 Q CA 1.411 57.163 55.803 -0.084 0.000 0.845 1185 Q CB -0.039 28.673 28.738 -0.043 0.000 0.907 1185 Q HN 0.428 nan 8.270 nan 0.000 0.439 1186 I N 0.704 121.298 120.570 0.039 0.000 2.423 1186 I HA -0.267 3.903 4.170 -0.000 0.000 0.254 1186 I C 1.110 177.373 176.117 0.243 0.000 1.151 1186 I CA 1.182 62.581 61.300 0.166 0.000 1.421 1186 I CB -0.221 37.826 38.000 0.077 0.000 1.079 1186 I HN 0.206 nan 8.210 nan 0.000 0.431 1187 D N 0.784 121.267 120.400 0.137 0.000 2.213 1187 D HA -0.013 4.627 4.640 -0.000 0.000 0.205 1187 D C 2.245 178.593 176.300 0.080 0.000 0.961 1187 D CA 1.204 55.300 54.000 0.160 0.000 0.853 1187 D CB 0.100 40.996 40.800 0.161 0.000 0.967 1187 D HN 0.302 nan 8.370 nan 0.000 0.496 1188 A N 1.232 124.058 122.820 0.011 0.000 1.872 1188 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 1188 A C 1.846 179.504 177.584 0.124 0.000 1.187 1188 A CA 1.301 53.300 52.037 -0.064 0.000 0.614 1188 A CB -0.233 18.648 19.000 -0.199 0.000 0.826 1188 A HN -0.025 nan 8.150 nan 0.000 0.442 1189 D N -0.428 120.059 120.400 0.145 0.000 2.078 1189 D HA -0.120 4.520 4.640 -0.000 0.000 0.193 1189 D C 1.450 177.807 176.300 0.095 0.000 0.990 1189 D CA 1.167 55.247 54.000 0.134 0.000 0.827 1189 D CB -0.590 40.283 40.800 0.121 0.000 0.975 1189 D HN 0.390 nan 8.370 nan 0.000 0.451 1190 F N 0.239 120.176 119.950 -0.022 0.000 2.529 1190 F HA -0.113 4.413 4.527 -0.000 0.000 0.297 1190 F C 2.224 177.932 175.800 -0.154 0.000 1.114 1190 F CA 0.641 58.576 58.000 -0.109 0.000 1.467 1190 F CB -0.073 38.798 39.000 -0.215 0.000 1.096 1190 F HN -0.032 nan 8.300 nan 0.000 0.586 1191 M N -1.776 117.867 119.600 0.071 0.000 2.534 1191 M HA 0.059 4.539 4.480 -0.000 0.000 0.263 1191 M C 2.060 178.367 176.300 0.012 0.000 1.152 1191 M CA 0.698 56.019 55.300 0.035 0.000 1.145 1191 M CB -0.772 31.890 32.600 0.103 0.000 1.333 1191 M HN 0.222 nan 8.290 nan 0.000 0.477 1192 L N 0.846 122.094 121.223 0.042 0.000 2.131 1192 L HA -0.040 4.300 4.340 -0.000 0.000 0.206 1192 L C 1.964 178.752 176.870 -0.136 0.000 1.087 1192 L CA 1.844 56.631 54.840 -0.088 0.000 0.767 1192 L CB -0.511 41.505 42.059 -0.071 0.000 0.917 1192 L HN 0.126 nan 8.230 nan 0.000 0.441 1193 K N -1.079 119.223 120.400 -0.162 0.000 2.280 1193 K HA -0.069 4.251 4.320 -0.000 0.000 0.202 1193 K C 1.760 178.203 176.600 -0.262 0.000 1.047 1193 K CA 1.215 57.367 56.287 -0.226 0.000 0.942 1193 K CB -0.080 32.216 32.500 -0.340 0.000 0.739 1193 K HN 0.279 nan 8.250 nan 0.000 0.457 1194 V N 0.931 120.677 119.914 -0.279 0.000 2.878 1194 V HA -0.098 4.021 4.120 -0.000 0.000 0.250 1194 V C 1.959 177.908 176.094 -0.241 0.000 1.075 1194 V CA 1.167 63.227 62.300 -0.401 0.000 1.096 1194 V CB -0.173 31.417 31.823 -0.389 0.000 0.724 1194 V HN 0.260 nan 8.190 nan 0.000 0.467 1195 E N 0.558 120.661 120.200 -0.162 0.000 2.015 1195 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 1195 E C 2.256 178.805 176.600 -0.085 0.000 0.991 1195 E CA 1.373 57.706 56.400 -0.111 0.000 0.802 1195 E CB -0.153 29.475 29.700 -0.120 0.000 0.759 1195 E HN 0.477 nan 8.360 nan 0.000 0.447 1196 L N 0.655 121.822 121.223 -0.094 0.000 1.970 1196 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 1196 L C 2.727 179.591 176.870 -0.011 0.000 1.071 1196 L CA 1.236 56.043 54.840 -0.056 0.000 0.751 1196 L CB -0.795 41.218 42.059 -0.076 0.000 0.889 1196 L HN 0.138 nan 8.230 nan 0.000 0.432 1197 A N 0.480 123.276 122.820 -0.040 0.000 1.958 1197 A HA -0.271 4.049 4.320 -0.000 0.000 0.221 1197 A C 2.416 180.066 177.584 0.110 0.000 1.178 1197 A CA 2.736 54.798 52.037 0.042 0.000 0.642 1197 A CB -1.082 17.910 19.000 -0.013 0.000 0.816 1197 A HN 0.618 nan 8.150 nan 0.000 0.453 1198 T N -4.337 110.251 114.554 0.056 0.000 2.978 1198 T HA -0.045 4.305 4.350 -0.000 0.000 0.262 1198 T C 1.772 176.491 174.700 0.032 0.000 1.063 1198 T CA 1.658 63.803 62.100 0.075 0.000 1.140 1198 T CB -0.691 68.210 68.868 0.056 0.000 0.886 1198 T HN 0.312 nan 8.240 nan 0.000 0.470 1199 T N 1.119 115.689 114.554 0.027 0.000 2.708 1199 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 1199 T C 1.757 176.484 174.700 0.045 0.000 1.037 1199 T CA 1.792 63.906 62.100 0.023 0.000 1.146 1199 T CB -0.540 68.339 68.868 0.018 0.000 0.865 1199 T HN 0.684 nan 8.240 nan 0.000 0.435 1200 H N 0.671 119.733 119.070 -0.014 0.000 2.389 1200 H HA 0.102 4.658 4.556 -0.000 0.000 0.299 1200 H C 1.941 177.263 175.328 -0.011 0.000 1.081 1200 H CA 0.878 56.920 56.048 -0.009 0.000 1.345 1200 H CB -0.508 29.250 29.762 -0.006 0.000 1.393 1200 H HN 0.148 nan 8.280 nan 0.000 0.520 1201 L N 0.008 121.176 121.223 -0.092 0.000 2.265 1201 L HA -0.082 4.258 4.340 -0.000 0.000 0.215 1201 L C 2.066 178.828 176.870 -0.181 0.000 1.117 1201 L CA 1.342 56.085 54.840 -0.161 0.000 0.782 1201 L CB -0.622 41.409 42.059 -0.047 0.000 0.914 1201 L HN 0.237 nan 8.230 nan 0.000 0.441 1202 S N -1.341 114.285 115.700 -0.123 0.000 2.335 1202 S HA -0.149 4.321 4.470 -0.000 0.000 0.217 1202 S C 1.779 176.313 174.600 -0.109 0.000 1.032 1202 S CA 1.600 59.740 58.200 -0.100 0.000 0.985 1202 S CB -0.519 62.649 63.200 -0.053 0.000 0.896 1202 S HN 0.531 nan 8.310 nan 0.000 0.445 1203 T N 2.617 117.102 114.554 -0.114 0.000 2.624 1203 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 1203 T C 1.868 176.491 174.700 -0.129 0.000 1.041 1203 T CA 1.905 63.945 62.100 -0.100 0.000 1.159 1203 T CB -0.446 68.371 68.868 -0.086 0.000 0.863 1203 T HN 0.196 nan 8.240 nan 0.000 0.434 1204 M N 1.062 120.510 119.600 -0.253 0.000 2.082 1204 M HA -0.096 4.384 4.480 -0.000 0.000 0.258 1204 M C 2.186 178.423 176.300 -0.104 0.000 1.069 1204 M CA 1.460 56.638 55.300 -0.204 0.000 1.102 1204 M CB -0.788 31.629 32.600 -0.305 0.000 1.336 1204 M HN 0.105 nan 8.290 nan 0.000 0.404 1205 V N 0.245 120.071 119.914 -0.146 0.000 2.343 1205 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 1205 V C 2.411 178.528 176.094 0.038 0.000 1.051 1205 V CA 2.040 64.272 62.300 -0.113 0.000 1.036 1205 V CB -0.816 30.854 31.823 -0.255 0.000 0.654 1205 V HN 0.467 nan 8.190 nan 0.000 0.451 1206 R N 0.048 120.553 120.500 0.009 0.000 2.096 1206 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 1206 R C 2.413 178.757 176.300 0.073 0.000 1.127 1206 R CA 1.424 57.553 56.100 0.049 0.000 0.968 1206 R CB -0.570 29.743 30.300 0.022 0.000 0.861 1206 R HN 0.556 nan 8.270 nan 0.000 0.440 1207 A N 0.867 123.720 122.820 0.053 0.000 1.855 1207 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 1207 A C 2.367 180.019 177.584 0.114 0.000 1.191 1207 A CA 1.407 53.486 52.037 0.070 0.000 0.613 1207 A CB -0.606 18.421 19.000 0.045 0.000 0.829 1207 A HN 0.106 nan 8.150 nan 0.000 0.442 1208 V N 0.525 120.524 119.914 0.141 0.000 2.469 1208 V HA -0.288 3.832 4.120 -0.000 0.000 0.251 1208 V C 2.378 178.613 176.094 0.236 0.000 1.064 1208 V CA 1.960 64.383 62.300 0.206 0.000 1.066 1208 V CB -0.871 31.126 31.823 0.290 0.000 0.667 1208 V HN 0.551 nan 8.190 nan 0.000 0.461 1209 I N 0.722 121.428 120.570 0.227 0.000 2.202 1209 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 1209 I C 2.486 178.728 176.117 0.209 0.000 1.091 1209 I CA 2.173 63.595 61.300 0.204 0.000 1.368 1209 I CB -0.589 37.518 38.000 0.178 0.000 1.058 1209 I HN 0.422 nan 8.210 nan 0.000 0.410 1210 N N 1.503 120.301 118.700 0.164 0.000 2.058 1210 N HA -0.191 4.549 4.740 -0.000 0.000 0.191 1210 N C 1.867 177.471 175.510 0.157 0.000 1.037 1210 N CA 1.946 55.083 53.050 0.144 0.000 0.848 1210 N CB -0.191 38.358 38.487 0.104 0.000 1.021 1210 N HN 0.296 nan 8.380 nan 0.000 0.422 1211 A N -0.899 122.013 122.820 0.154 0.000 1.948 1211 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 1211 A C 2.229 179.918 177.584 0.174 0.000 1.177 1211 A CA 1.591 53.712 52.037 0.141 0.000 0.636 1211 A CB -1.227 17.854 19.000 0.135 0.000 0.815 1211 A HN 0.661 nan 8.150 nan 0.000 0.449 1212 Y N 0.121 120.487 120.300 0.111 0.000 2.176 1212 Y HA -0.005 4.545 4.550 -0.000 0.000 0.291 1212 Y C 1.923 177.941 175.900 0.196 0.000 1.122 1212 Y CA 1.583 59.761 58.100 0.129 0.000 1.128 1212 Y CB -0.238 38.275 38.460 0.088 0.000 1.005 1212 Y HN 0.169 nan 8.280 nan 0.000 0.509 1213 L N 0.030 121.478 121.223 0.373 0.000 2.261 1213 L HA -0.245 4.095 4.340 -0.000 0.000 0.216 1213 L C 2.046 179.096 176.870 0.299 0.000 1.114 1213 L CA 0.997 56.019 54.840 0.304 0.000 0.777 1213 L CB -0.467 41.745 42.059 0.255 0.000 0.910 1213 L HN 0.387 nan 8.230 nan 0.000 0.440 1214 L N -0.956 120.370 121.223 0.172 0.000 2.130 1214 L HA -0.024 4.316 4.340 -0.000 0.000 0.200 1214 L C 1.764 178.620 176.870 -0.023 0.000 1.075 1214 L CA 0.745 55.640 54.840 0.092 0.000 0.768 1214 L CB -0.338 41.755 42.059 0.057 0.000 0.933 1214 L HN 0.292 nan 8.230 nan 0.000 0.451 1215 N N 0.169 118.835 118.700 -0.057 0.000 2.398 1215 N HA -0.094 4.646 4.740 -0.000 0.000 0.188 1215 N C 1.643 177.000 175.510 -0.255 0.000 1.122 1215 N CA 0.354 53.314 53.050 -0.151 0.000 0.866 1215 N CB 0.079 38.516 38.487 -0.083 0.000 0.970 1215 N HN 0.564 nan 8.380 nan 0.000 0.462 1216 W N 2.436 123.504 121.300 -0.387 0.000 2.308 1216 W HA -0.153 4.506 4.660 -0.000 0.000 0.301 1216 W C 1.066 177.420 176.519 -0.274 0.000 1.220 1216 W CA 0.530 57.566 57.345 -0.516 0.000 1.240 1216 W CB -0.794 28.215 29.460 -0.751 0.000 1.142 1216 W HN -0.027 nan 8.180 nan 0.000 0.521 1217 K N 0.658 120.312 120.400 -1.243 0.000 2.032 1217 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 1217 K C 2.154 178.478 176.600 -0.460 0.000 1.048 1217 K CA 1.758 57.407 56.287 -1.063 0.000 0.927 1217 K CB -0.268 31.599 32.500 -1.054 0.000 0.712 1217 K HN -0.081 nan 8.250 nan 0.000 0.441 1218 K N 1.030 121.218 120.400 -0.354 0.000 2.211 1218 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 1218 K C 2.077 178.594 176.600 -0.139 0.000 1.050 1218 K CA 0.811 56.977 56.287 -0.203 0.000 0.945 1218 K CB -0.174 32.229 32.500 -0.162 0.000 0.732 1218 K HN 0.207 nan 8.250 nan 0.000 0.451 1219 L N 0.417 121.560 121.223 -0.134 0.000 2.093 1219 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 1219 L C 2.096 178.950 176.870 -0.027 0.000 1.085 1219 L CA 0.778 55.580 54.840 -0.063 0.000 0.755 1219 L CB -0.306 41.727 42.059 -0.042 0.000 0.904 1219 L HN 0.066 nan 8.230 nan 0.000 0.435 1220 I N -1.238 119.321 120.570 -0.019 0.000 2.494 1220 I HA -0.053 4.117 4.170 -0.000 0.000 0.250 1220 I C 0.987 177.092 176.117 -0.020 0.000 1.112 1220 I CA 0.890 62.200 61.300 0.017 0.000 1.438 1220 I CB -0.432 37.615 38.000 0.078 0.000 1.111 1220 I HN 0.253 nan 8.210 nan 0.000 0.431 1221 Q N 2.064 121.825 119.800 -0.065 0.000 2.706 1221 Q HA 0.239 4.579 4.340 -0.000 0.000 0.250 1221 Q C -1.623 174.331 176.000 -0.076 0.000 1.120 1221 Q CA -1.658 54.105 55.803 -0.067 0.000 0.972 1221 Q CB 1.221 29.907 28.738 -0.086 0.000 1.173 1221 Q HN 0.264 nan 8.270 nan 0.000 0.522 1222 P HA -0.122 nan 4.420 nan 0.000 0.218 1222 P C -0.046 177.225 177.300 -0.049 0.000 1.149 1222 P CA 0.895 63.963 63.100 -0.054 0.000 0.817 1222 P CB 0.725 32.400 31.700 -0.041 0.000 0.785 1223 R N -0.374 120.100 120.500 -0.044 0.000 2.621 1223 R HA 0.423 4.763 4.340 -0.000 0.000 0.292 1223 R C -0.367 175.907 176.300 -0.043 0.000 0.969 1223 R CA -0.393 55.682 56.100 -0.041 0.000 0.887 1223 R CB 1.824 32.104 30.300 -0.034 0.000 1.180 1223 R HN -0.066 nan 8.270 nan 0.000 0.450 1224 T N -0.636 113.891 114.554 -0.045 0.000 2.963 1224 T HA 0.373 4.723 4.350 -0.000 0.000 0.343 1224 T C 0.586 175.259 174.700 -0.045 0.000 1.146 1224 T CA -0.833 61.242 62.100 -0.042 0.000 1.016 1224 T CB 1.186 70.031 68.868 -0.040 0.000 1.046 1224 T HN 0.656 nan 8.240 nan 0.000 0.496 1225 G N 1.981 110.752 108.800 -0.048 0.000 2.414 1225 G HA2 0.424 4.384 3.960 -0.000 0.000 0.236 1225 G HA3 0.424 4.384 3.960 -0.000 0.000 0.236 1225 G C 0.115 174.956 174.900 -0.099 0.000 1.293 1225 G CA -0.248 44.811 45.100 -0.068 0.000 0.869 1225 G HN 1.664 nan 8.290 nan 0.000 0.556 1226 S N 0.372 115.963 115.700 -0.182 0.000 2.465 1226 S HA 0.141 4.611 4.470 -0.000 0.000 0.186 1226 S C -1.433 172.794 174.600 -0.622 0.000 0.839 1226 S CA -0.952 57.004 58.200 -0.407 0.000 1.037 1226 S CB 0.768 63.810 63.200 -0.263 0.000 1.407 1226 S HN 0.400 nan 8.310 nan 0.000 0.396 1227 D N 2.811 122.933 120.400 -0.462 0.000 2.500 1227 D HA 0.341 4.980 4.640 -0.000 0.000 0.219 1227 D C 0.864 176.998 176.300 -0.275 0.000 1.137 1227 D CA -0.398 53.421 54.000 -0.303 0.000 0.946 1227 D CB 0.317 41.030 40.800 -0.144 0.000 1.022 1227 D HN 0.556 nan 8.370 nan 0.000 0.518 1228 H N 1.155 120.218 119.070 -0.012 0.000 2.582 1228 H HA 0.145 4.700 4.556 -0.000 0.000 0.269 1228 H C 1.528 176.851 175.328 -0.010 0.000 0.962 1228 H CA 0.489 56.530 56.048 -0.011 0.000 1.230 1228 H CB 0.330 30.084 29.762 -0.012 0.000 1.445 1228 H HN 0.353 nan 8.280 nan 0.000 0.528 1229 M N 0.613 120.256 119.600 0.071 0.000 2.134 1229 M HA 0.010 4.490 4.480 -0.000 0.000 0.262 1229 M C 0.765 177.076 176.300 0.017 0.000 1.076 1229 M CA 0.614 55.938 55.300 0.040 0.000 1.143 1229 M CB 0.198 32.811 32.600 0.021 0.000 1.346 1229 M HN -0.180 nan 8.290 nan 0.000 0.421 1230 V N 1.526 121.438 119.914 -0.003 0.000 2.775 1230 V HA 0.326 4.446 4.120 -0.000 0.000 0.299 1230 V C 0.253 176.346 176.094 -0.002 0.000 1.062 1230 V CA -0.291 62.005 62.300 -0.007 0.000 1.063 1230 V CB 0.723 32.534 31.823 -0.020 0.000 0.994 1230 V HN 0.607 nan 8.190 nan 0.000 0.483 1231 S N 0.000 115.700 115.700 -0.000 0.000 2.498 1231 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 1231 S CA 0.000 58.202 58.200 0.003 0.000 1.107 1231 S CB 0.000 63.206 63.200 0.011 0.000 0.593 1231 S HN 0.000 nan 8.310 nan 0.000 0.517