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_j 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 0.005 0.000 0.726 1003 P HA 0.059 nan 4.420 nan 0.000 0.230 1003 P C 1.322 178.626 177.300 0.007 0.000 1.168 1003 P CA 0.647 63.751 63.100 0.006 0.000 0.793 1003 P CB 0.977 32.680 31.700 0.005 0.000 0.851 1004 K N 0.562 120.966 120.400 0.007 0.000 2.137 1004 K HA 0.033 4.353 4.320 -0.000 0.000 0.202 1004 K C 2.277 178.882 176.600 0.008 0.000 1.052 1004 K CA 0.410 56.702 56.287 0.008 0.000 0.961 1004 K CB 0.061 32.566 32.500 0.007 0.000 0.741 1004 K HN -0.120 nan 8.250 nan 0.000 0.452 1005 R N 0.053 120.558 120.500 0.008 0.000 2.148 1005 R HA -0.031 4.309 4.340 -0.000 0.000 0.227 1005 R C 2.207 178.512 176.300 0.009 0.000 1.103 1005 R CA 1.117 57.222 56.100 0.008 0.000 0.983 1005 R CB -0.166 30.139 30.300 0.007 0.000 0.874 1005 R HN 0.192 nan 8.270 nan 0.000 0.451 1006 A N 1.067 123.892 122.820 0.008 0.000 1.929 1006 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 1006 A C 2.310 179.900 177.584 0.011 0.000 1.176 1006 A CA 1.310 53.353 52.037 0.009 0.000 0.628 1006 A CB -0.470 18.535 19.000 0.008 0.000 0.816 1006 A HN 0.356 nan 8.150 nan 0.000 0.444 1007 A N 0.231 123.057 122.820 0.011 0.000 1.845 1007 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 1007 A C 2.146 179.739 177.584 0.015 0.000 1.195 1007 A CA 1.527 53.572 52.037 0.013 0.000 0.616 1007 A CB -0.827 18.180 19.000 0.012 0.000 0.832 1007 A HN 0.455 nan 8.150 nan 0.000 0.443 1008 L N -0.484 120.748 121.223 0.014 0.000 1.997 1008 L HA -0.266 4.074 4.340 -0.000 0.000 0.216 1008 L C 2.542 179.423 176.870 0.018 0.000 1.074 1008 L CA 1.801 56.651 54.840 0.016 0.000 0.763 1008 L CB -0.627 41.440 42.059 0.013 0.000 0.890 1008 L HN 0.414 nan 8.230 nan 0.000 0.434 1009 I N -0.900 119.679 120.570 0.015 0.000 2.454 1009 I HA -0.273 3.897 4.170 -0.000 0.000 0.254 1009 I C 2.610 178.739 176.117 0.021 0.000 1.156 1009 I CA 0.832 62.141 61.300 0.015 0.000 1.433 1009 I CB -0.178 37.829 38.000 0.012 0.000 1.082 1009 I HN 0.354 nan 8.210 nan 0.000 0.432 1010 Q N 1.551 121.364 119.800 0.021 0.000 2.020 1010 Q HA -0.157 4.183 4.340 -0.000 0.000 0.198 1010 Q C 1.920 177.940 176.000 0.033 0.000 0.974 1010 Q CA 1.753 57.570 55.803 0.024 0.000 0.829 1010 Q CB -0.185 28.564 28.738 0.020 0.000 0.894 1010 Q HN 0.389 nan 8.270 nan 0.000 0.433 1011 N N 0.177 118.896 118.700 0.032 0.000 2.149 1011 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 1011 N C 1.785 177.330 175.510 0.059 0.000 1.019 1011 N CA 1.110 54.184 53.050 0.040 0.000 0.857 1011 N CB -0.355 38.153 38.487 0.035 0.000 0.997 1011 N HN 0.280 nan 8.380 nan 0.000 0.426 1012 L N 0.993 122.249 121.223 0.055 0.000 1.989 1012 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 1012 L C 2.263 179.192 176.870 0.099 0.000 1.071 1012 L CA 1.388 56.268 54.840 0.068 0.000 0.749 1012 L CB -0.169 41.908 42.059 0.030 0.000 0.890 1012 L HN 0.143 nan 8.230 nan 0.000 0.431 1013 R N -0.547 119.997 120.500 0.073 0.000 2.280 1013 R HA -0.090 4.250 4.340 -0.000 0.000 0.207 1013 R C 1.321 177.676 176.300 0.092 0.000 1.043 1013 R CA 0.617 56.767 56.100 0.084 0.000 1.006 1013 R CB -0.110 30.223 30.300 0.055 0.000 0.885 1013 R HN 0.427 nan 8.270 nan 0.000 0.467 1014 D N -0.403 120.044 120.400 0.078 0.000 2.305 1014 D HA 0.020 4.660 4.640 -0.000 0.000 0.206 1014 D C 1.425 177.758 176.300 0.054 0.000 0.974 1014 D CA 0.799 54.832 54.000 0.056 0.000 0.871 1014 D CB 0.313 41.136 40.800 0.038 0.000 0.947 1014 D HN 0.017 nan 8.370 nan 0.000 0.516 1015 S N -0.185 115.576 115.700 0.101 0.000 2.414 1015 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 1015 S C 0.241 174.820 174.600 -0.035 0.000 1.022 1015 S CA 0.578 58.821 58.200 0.072 0.000 0.958 1015 S CB 0.091 63.423 63.200 0.220 0.000 0.797 1015 S HN 0.238 nan 8.310 nan 0.000 0.493 1016 Y N 2.228 122.533 120.300 0.007 0.000 2.787 1016 Y HA 0.323 4.873 4.550 -0.000 0.000 0.352 1016 Y C 0.740 176.650 175.900 0.016 0.000 1.027 1016 Y CA -1.311 56.793 58.100 0.007 0.000 1.219 1016 Y CB 0.010 38.473 38.460 0.006 0.000 1.110 1016 Y HN 0.068 nan 8.280 nan 0.000 0.614 1017 T N -3.233 111.377 114.554 0.093 0.000 2.771 1017 T HA 0.102 4.452 4.350 -0.000 0.000 0.290 1017 T C 1.255 176.011 174.700 0.094 0.000 1.005 1017 T CA -0.497 61.653 62.100 0.083 0.000 0.944 1017 T CB 1.136 70.031 68.868 0.045 0.000 1.147 1017 T HN 0.474 nan 8.240 nan 0.000 0.534 1018 E N -0.001 120.258 120.200 0.098 0.000 2.204 1018 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 1018 E C 1.969 178.629 176.600 0.100 0.000 0.989 1018 E CA 1.178 57.655 56.400 0.127 0.000 0.824 1018 E CB -0.691 29.088 29.700 0.132 0.000 0.756 1018 E HN 0.779 nan 8.360 nan 0.000 0.477 1019 T N 0.376 114.967 114.554 0.061 0.000 2.788 1019 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 1019 T C 2.022 176.738 174.700 0.027 0.000 1.044 1019 T CA 1.403 63.542 62.100 0.064 0.000 1.139 1019 T CB -0.138 68.747 68.868 0.028 0.000 0.867 1019 T HN 0.111 nan 8.240 nan 0.000 0.454 1020 S N 1.892 117.588 115.700 -0.007 0.000 2.359 1020 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 1020 S C 2.532 177.077 174.600 -0.091 0.000 1.035 1020 S CA 1.554 59.716 58.200 -0.064 0.000 1.018 1020 S CB -0.463 62.693 63.200 -0.073 0.000 0.876 1020 S HN 0.764 nan 8.310 nan 0.000 0.448 1021 S N 1.122 116.792 115.700 -0.050 0.000 2.414 1021 S HA 0.015 4.485 4.470 -0.000 0.000 0.227 1021 S C 1.623 176.043 174.600 -0.300 0.000 1.022 1021 S CA 0.470 58.569 58.200 -0.168 0.000 0.958 1021 S CB -0.629 62.534 63.200 -0.061 0.000 0.797 1021 S HN 0.424 nan 8.310 nan 0.000 0.493 1022 F N 3.220 122.996 119.950 -0.290 0.000 2.234 1022 F HA 0.264 4.791 4.527 -0.000 0.000 0.299 1022 F C 2.399 178.010 175.800 -0.315 0.000 1.087 1022 F CA 0.188 57.995 58.000 -0.322 0.000 1.340 1022 F CB -0.971 37.909 39.000 -0.201 0.000 1.031 1022 F HN 0.280 nan 8.300 nan 0.000 0.500 1023 A N -0.080 122.508 122.820 -0.385 0.000 1.933 1023 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 1023 A C 2.312 179.608 177.584 -0.479 0.000 1.175 1023 A CA 1.955 53.725 52.037 -0.444 0.000 0.628 1023 A CB -1.365 17.482 19.000 -0.255 0.000 0.814 1023 A HN 0.236 nan 8.150 nan 0.000 0.444 1024 V N 0.543 120.157 119.914 -0.500 0.000 2.407 1024 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 1024 V C 2.368 177.879 176.094 -0.971 0.000 1.055 1024 V CA 1.615 63.508 62.300 -0.679 0.000 1.049 1024 V CB -0.694 30.686 31.823 -0.738 0.000 0.662 1024 V HN 0.512 nan 8.190 nan 0.000 0.455 1025 I N 0.057 120.126 120.570 -0.836 0.000 2.353 1025 I HA -0.146 4.024 4.170 -0.000 0.000 0.248 1025 I C 2.507 178.373 176.117 -0.417 0.000 1.119 1025 I CA 1.384 62.289 61.300 -0.658 0.000 1.417 1025 I CB -1.142 36.558 38.000 -0.501 0.000 1.078 1025 I HN 0.449 nan 8.210 nan 0.000 0.421 1026 E N 0.523 120.397 120.200 -0.544 0.000 2.077 1026 E HA -0.274 4.076 4.350 -0.000 0.000 0.193 1026 E C 2.019 178.497 176.600 -0.204 0.000 0.989 1026 E CA 1.279 57.438 56.400 -0.401 0.000 0.800 1026 E CB -0.032 29.340 29.700 -0.547 0.000 0.746 1026 E HN 0.333 nan 8.360 nan 0.000 0.452 1027 E N 0.459 120.538 120.200 -0.203 0.000 2.058 1027 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 1027 E C 1.528 178.212 176.600 0.140 0.000 0.997 1027 E CA 1.336 57.711 56.400 -0.041 0.000 0.801 1027 E CB -0.277 29.403 29.700 -0.033 0.000 0.746 1027 E HN 0.289 nan 8.360 nan 0.000 0.450 1028 W N 0.576 121.801 121.300 -0.125 0.000 2.402 1028 W HA 0.134 4.794 4.660 -0.000 0.000 0.286 1028 W C 2.390 178.864 176.519 -0.076 0.000 1.221 1028 W CA 0.965 58.254 57.345 -0.093 0.000 1.257 1028 W CB -1.248 28.156 29.460 -0.093 0.000 1.120 1028 W HN 0.253 nan 8.180 nan 0.000 0.551 1029 A N -0.016 122.883 122.820 0.132 0.000 1.902 1029 A HA 0.093 4.413 4.320 -0.000 0.000 0.217 1029 A C 2.098 179.703 177.584 0.036 0.000 1.181 1029 A CA 2.783 54.857 52.037 0.061 0.000 0.623 1029 A CB -0.833 18.171 19.000 0.006 0.000 0.818 1029 A HN 0.126 nan 8.150 nan 0.000 0.443 1030 A N -1.546 121.285 122.820 0.019 0.000 2.417 1030 A HA 0.487 4.807 4.320 -0.000 0.000 0.224 1030 A C 2.330 179.920 177.584 0.010 0.000 2.273 1030 A CA 1.091 53.131 52.037 0.006 0.000 1.018 1030 A CB -1.351 17.641 19.000 -0.013 0.000 1.400 1030 A HN 0.747 nan 8.150 nan 0.000 0.580 1031 G N -0.290 108.514 108.800 0.006 0.000 2.672 1031 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 1031 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 1031 G C 1.497 176.401 174.900 0.006 0.000 1.238 1031 G CA 2.192 47.295 45.100 0.005 0.000 0.791 1031 G HN 0.460 nan 8.290 nan 0.000 0.606 1032 T N 1.071 115.642 114.554 0.028 0.000 2.803 1032 T HA -0.027 4.323 4.350 -0.000 0.000 0.269 1032 T C 2.368 177.033 174.700 -0.059 0.000 1.052 1032 T CA 0.945 63.032 62.100 -0.021 0.000 1.136 1032 T CB -0.138 68.707 68.868 -0.038 0.000 0.864 1032 T HN 0.131 nan 8.240 nan 0.000 0.467 1033 L N 0.374 121.581 121.223 -0.027 0.000 2.072 1033 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 1033 L C 2.832 179.686 176.870 -0.026 0.000 1.079 1033 L CA 1.287 56.105 54.840 -0.036 0.000 0.752 1033 L CB -0.392 41.662 42.059 -0.010 0.000 0.906 1033 L HN 0.316 nan 8.230 nan 0.000 0.436 1034 Q N -0.601 119.191 119.800 -0.015 0.000 2.119 1034 Q HA -0.260 4.080 4.340 -0.000 0.000 0.201 1034 Q C 1.960 177.952 176.000 -0.013 0.000 0.972 1034 Q CA 1.441 57.237 55.803 -0.011 0.000 0.847 1034 Q CB -0.020 28.714 28.738 -0.007 0.000 0.903 1034 Q HN 0.288 nan 8.270 nan 0.000 0.433 1035 E N 1.322 121.511 120.200 -0.019 0.000 2.077 1035 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 1035 E C 1.641 178.233 176.600 -0.014 0.000 0.989 1035 E CA 1.229 57.618 56.400 -0.017 0.000 0.800 1035 E CB -0.207 29.477 29.700 -0.026 0.000 0.746 1035 E HN 0.363 nan 8.360 nan 0.000 0.452 1036 I N 0.568 121.122 120.570 -0.027 0.000 2.226 1036 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 1036 I C 2.548 178.663 176.117 -0.003 0.000 1.100 1036 I CA 1.655 62.946 61.300 -0.015 0.000 1.374 1036 I CB -0.410 37.564 38.000 -0.043 0.000 1.057 1036 I HN 0.273 nan 8.210 nan 0.000 0.413 1037 E N 1.268 121.461 120.200 -0.011 0.000 2.265 1037 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 1037 E C 2.171 178.769 176.600 -0.003 0.000 0.996 1037 E CA 1.229 57.624 56.400 -0.008 0.000 0.832 1037 E CB -0.096 29.598 29.700 -0.009 0.000 0.756 1037 E HN 0.493 nan 8.360 nan 0.000 0.491 1038 G N 1.050 109.850 108.800 -0.001 0.000 2.395 1038 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.214 1038 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.214 1038 G C 1.552 176.456 174.900 0.008 0.000 1.177 1038 G CA 0.522 45.624 45.100 0.002 0.000 0.794 1038 G HN 0.260 nan 8.290 nan 0.000 0.532 1039 I N 1.566 122.146 120.570 0.017 0.000 2.567 1039 I HA -0.127 4.043 4.170 -0.000 0.000 0.257 1039 I C 3.144 179.267 176.117 0.009 0.000 1.184 1039 I CA 0.547 61.865 61.300 0.030 0.000 1.451 1039 I CB -0.073 37.972 38.000 0.076 0.000 1.089 1039 I HN 0.248 nan 8.210 nan 0.000 0.441 1040 A N 2.232 125.053 122.820 0.002 0.000 1.845 1040 A HA -0.232 4.088 4.320 -0.000 0.000 0.215 1040 A C 2.328 179.900 177.584 -0.019 0.000 1.195 1040 A CA 2.016 54.044 52.037 -0.015 0.000 0.616 1040 A CB -0.484 18.508 19.000 -0.013 0.000 0.832 1040 A HN 0.517 nan 8.150 nan 0.000 0.443 1041 K N -0.606 119.788 120.400 -0.010 0.000 2.365 1041 K HA 0.327 4.647 4.320 -0.000 0.000 0.197 1041 K C 1.870 178.470 176.600 -0.000 0.000 1.042 1041 K CA 0.946 57.229 56.287 -0.007 0.000 0.987 1041 K CB -0.268 32.230 32.500 -0.003 0.000 0.779 1041 K HN 0.260 nan 8.250 nan 0.000 0.484 1042 A N 1.913 124.733 122.820 0.001 0.000 1.933 1042 A HA 0.000 4.320 4.320 -0.000 0.000 0.218 1042 A C 2.342 179.929 177.584 0.005 0.000 1.175 1042 A CA 1.684 53.724 52.037 0.006 0.000 0.628 1042 A CB -0.511 18.494 19.000 0.009 0.000 0.814 1042 A HN 0.470 nan 8.150 nan 0.000 0.444 1043 A N -1.207 121.610 122.820 -0.005 0.000 2.238 1043 A HA 0.564 4.884 4.320 -0.000 0.000 0.210 1043 A C 2.137 179.732 177.584 0.017 0.000 1.179 1043 A CA 1.104 53.138 52.037 -0.004 0.000 0.827 1043 A CB -0.450 18.524 19.000 -0.044 0.000 0.856 1043 A HN 0.786 nan 8.150 nan 0.000 0.488 1044 A N 1.240 124.062 122.820 0.004 0.000 1.897 1044 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 1044 A C 1.921 179.535 177.584 0.049 0.000 1.181 1044 A CA 1.427 53.466 52.037 0.003 0.000 0.620 1044 A CB -0.430 18.559 19.000 -0.017 0.000 0.821 1044 A HN 0.686 nan 8.150 nan 0.000 0.443 1045 E N -0.263 119.960 120.200 0.039 0.000 2.216 1045 E HA 0.153 4.503 4.350 -0.000 0.000 0.192 1045 E C 1.808 178.442 176.600 0.056 0.000 0.988 1045 E CA 0.735 57.162 56.400 0.045 0.000 0.834 1045 E CB -0.295 29.421 29.700 0.027 0.000 0.772 1045 E HN 0.430 nan 8.360 nan 0.000 0.479 1046 A N 1.677 124.530 122.820 0.056 0.000 2.066 1046 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 1046 A C 2.073 179.701 177.584 0.075 0.000 1.157 1046 A CA 1.326 53.394 52.037 0.052 0.000 0.670 1046 A CB -0.786 18.235 19.000 0.035 0.000 0.804 1046 A HN 0.419 nan 8.150 nan 0.000 0.453 1047 H N -0.421 118.651 119.070 0.002 0.000 2.482 1047 H HA 0.023 4.579 4.556 -0.000 0.000 0.286 1047 H C 2.083 177.419 175.328 0.013 0.000 1.017 1047 H CA 1.354 57.405 56.048 0.005 0.000 1.322 1047 H CB -0.176 29.581 29.762 -0.010 0.000 1.426 1047 H HN 0.396 nan 8.280 nan 0.000 0.546 1048 G N 0.454 109.343 108.800 0.149 0.000 2.421 1048 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.217 1048 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.217 1048 G C 1.825 176.744 174.900 0.032 0.000 1.143 1048 G CA 0.759 45.917 45.100 0.098 0.000 0.784 1048 G HN 0.304 nan 8.290 nan 0.000 0.541 1049 V N 1.492 121.422 119.914 0.027 0.000 2.261 1049 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 1049 V C 2.756 178.863 176.094 0.020 0.000 1.047 1049 V CA 1.541 63.854 62.300 0.022 0.000 1.015 1049 V CB -0.441 31.397 31.823 0.025 0.000 0.642 1049 V HN 0.386 nan 8.190 nan 0.000 0.446 1050 I N -0.065 120.508 120.570 0.005 0.000 2.454 1050 I HA -0.240 3.930 4.170 -0.000 0.000 0.254 1050 I C 2.663 178.771 176.117 -0.014 0.000 1.156 1050 I CA 1.512 62.832 61.300 0.033 0.000 1.433 1050 I CB -0.464 37.524 38.000 -0.019 0.000 1.082 1050 I HN 0.266 nan 8.210 nan 0.000 0.432 1051 R N 1.442 121.895 120.500 -0.078 0.000 2.148 1051 R HA -0.066 4.274 4.340 -0.000 0.000 0.223 1051 R C 0.758 177.057 176.300 -0.002 0.000 1.088 1051 R CA 1.083 57.145 56.100 -0.063 0.000 0.985 1051 R CB 0.067 30.335 30.300 -0.053 0.000 0.880 1051 R HN 0.356 nan 8.270 nan 0.000 0.451 1052 N N 0.523 119.233 118.700 0.016 0.000 2.380 1052 N HA 0.112 4.852 4.740 -0.000 0.000 0.255 1052 N C -1.098 174.435 175.510 0.038 0.000 1.158 1052 N CA 0.056 53.121 53.050 0.025 0.000 0.878 1052 N CB 1.442 39.941 38.487 0.021 0.000 1.138 1052 N HN -0.006 nan 8.380 nan 0.000 0.509 1053 S N -0.493 115.248 115.700 0.069 0.000 2.599 1053 S HA 0.524 4.994 4.470 -0.000 0.000 0.294 1053 S C -0.104 174.582 174.600 0.144 0.000 1.094 1053 S CA -0.529 57.725 58.200 0.090 0.000 0.931 1053 S CB 2.392 65.658 63.200 0.110 0.000 1.093 1053 S HN -0.010 nan 8.310 nan 0.000 0.488 1054 T N 2.579 117.195 114.554 0.104 0.000 2.770 1054 T HA 0.444 4.794 4.350 -0.000 0.000 0.283 1054 T C -1.272 173.511 174.700 0.139 0.000 0.988 1054 T CA -0.225 61.951 62.100 0.127 0.000 0.957 1054 T CB 0.155 69.058 68.868 0.058 0.000 0.930 1054 T HN 0.387 nan 8.240 nan 0.000 0.443 1055 Y N 1.783 122.079 120.300 -0.008 0.000 2.316 1055 Y HA 0.595 5.145 4.550 -0.000 0.000 0.331 1055 Y C 0.946 176.842 175.900 -0.007 0.000 1.083 1055 Y CA -0.154 57.942 58.100 -0.007 0.000 1.206 1055 Y CB 1.215 39.670 38.460 -0.007 0.000 1.195 1055 Y HN 0.838 nan 8.280 nan 0.000 0.497 1056 G N 2.061 110.889 108.800 0.046 0.000 3.015 1056 G HA2 0.279 4.239 3.960 -0.000 0.000 0.281 1056 G HA3 0.279 4.239 3.960 -0.000 0.000 0.281 1056 G C 0.308 175.220 174.900 0.021 0.000 1.386 1056 G CA -0.914 44.205 45.100 0.030 0.000 0.959 1056 G HN 0.599 nan 8.290 nan 0.000 0.522 1057 R N -0.721 119.786 120.500 0.013 0.000 2.159 1057 R HA -0.095 4.245 4.340 -0.000 0.000 0.237 1057 R C 2.511 178.806 176.300 -0.009 0.000 1.131 1057 R CA 1.875 57.980 56.100 0.008 0.000 0.982 1057 R CB -0.403 29.899 30.300 0.003 0.000 0.868 1057 R HN 0.501 nan 8.270 nan 0.000 0.453 1058 A N 0.612 123.415 122.820 -0.028 0.000 1.940 1058 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 1058 A C 1.879 179.426 177.584 -0.062 0.000 1.176 1058 A CA 1.434 53.444 52.037 -0.045 0.000 0.631 1058 A CB -0.277 18.690 19.000 -0.056 0.000 0.814 1058 A HN 0.406 nan 8.150 nan 0.000 0.446 1059 Q N -0.769 118.975 119.800 -0.093 0.000 2.472 1059 Q HA 0.323 4.663 4.340 -0.000 0.000 0.208 1059 Q C 1.692 177.679 176.000 -0.023 0.000 0.958 1059 Q CA 0.847 56.576 55.803 -0.124 0.000 0.932 1059 Q CB -0.223 28.301 28.738 -0.357 0.000 1.007 1059 Q HN 0.648 nan 8.270 nan 0.000 0.508 1060 A N 0.227 123.049 122.820 0.002 0.000 2.238 1060 A HA 0.036 4.356 4.320 -0.000 0.000 0.210 1060 A C 0.975 178.554 177.584 -0.008 0.000 1.179 1060 A CA 0.150 52.196 52.037 0.015 0.000 0.827 1060 A CB 0.244 19.258 19.000 0.023 0.000 0.856 1060 A HN 0.219 nan 8.150 nan 0.000 0.488 1061 E N -0.150 120.040 120.200 -0.017 0.000 2.437 1061 E HA 0.186 4.536 4.350 -0.000 0.000 0.195 1061 E C -0.208 176.379 176.600 -0.022 0.000 1.029 1061 E CA -0.027 56.361 56.400 -0.019 0.000 0.948 1061 E CB 0.223 29.912 29.700 -0.019 0.000 1.082 1061 E HN 0.408 nan 8.360 nan 0.000 0.456 1062 K N 0.263 120.649 120.400 -0.023 0.000 2.622 1062 K HA 0.214 4.534 4.320 -0.000 0.000 0.273 1062 K C -1.596 174.996 176.600 -0.014 0.000 0.957 1062 K CA -0.413 55.862 56.287 -0.020 0.000 0.861 1062 K CB 1.825 34.312 32.500 -0.022 0.000 1.405 1062 K HN -0.140 nan 8.250 nan 0.000 0.406 1063 S N 3.868 119.563 115.700 -0.008 0.000 2.438 1063 S HA 0.336 4.806 4.470 -0.000 0.000 0.293 1063 S C -2.457 172.166 174.600 0.038 0.000 1.141 1063 S CA -1.131 57.075 58.200 0.010 0.000 1.080 1063 S CB 1.099 64.296 63.200 -0.004 0.000 0.978 1063 S HN 0.405 nan 8.310 nan 0.000 0.479 1064 P HA 0.014 nan 4.420 nan 0.000 0.254 1064 P C 0.144 177.484 177.300 0.068 0.000 1.186 1064 P CA 0.250 63.387 63.100 0.062 0.000 0.868 1064 P CB 0.308 32.063 31.700 0.092 0.000 0.856 1065 E N 2.140 122.365 120.200 0.042 0.000 2.209 1065 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 1065 E C 1.908 178.530 176.600 0.038 0.000 0.993 1065 E CA 0.931 57.355 56.400 0.040 0.000 0.819 1065 E CB 0.009 29.724 29.700 0.025 0.000 0.745 1065 E HN 0.607 nan 8.360 nan 0.000 0.477 1066 Q N 0.820 120.639 119.800 0.032 0.000 2.119 1066 Q HA -0.163 4.177 4.340 -0.000 0.000 0.201 1066 Q C 2.141 178.156 176.000 0.024 0.000 0.972 1066 Q CA 0.996 56.814 55.803 0.026 0.000 0.847 1066 Q CB 0.064 28.814 28.738 0.021 0.000 0.903 1066 Q HN 0.314 nan 8.270 nan 0.000 0.433 1067 L N 0.303 121.545 121.223 0.031 0.000 2.093 1067 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 1067 L C 2.373 179.239 176.870 -0.006 0.000 1.085 1067 L CA 0.736 55.574 54.840 -0.004 0.000 0.755 1067 L CB -0.468 41.582 42.059 -0.014 0.000 0.904 1067 L HN 0.315 nan 8.230 nan 0.000 0.435 1068 L N -0.099 121.157 121.223 0.054 0.000 2.265 1068 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 1068 L C 2.566 179.465 176.870 0.049 0.000 1.117 1068 L CA 0.970 55.854 54.840 0.073 0.000 0.782 1068 L CB -0.977 41.138 42.059 0.094 0.000 0.914 1068 L HN 0.301 nan 8.230 nan 0.000 0.441 1069 G N -0.578 108.243 108.800 0.036 0.000 2.421 1069 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.217 1069 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.217 1069 G C 1.549 176.468 174.900 0.032 0.000 1.143 1069 G CA 0.558 45.677 45.100 0.032 0.000 0.784 1069 G HN 0.162 nan 8.290 nan 0.000 0.541 1070 V N 0.915 120.842 119.914 0.021 0.000 2.273 1070 V HA 0.007 4.127 4.120 -0.000 0.000 0.242 1070 V C 2.806 178.930 176.094 0.050 0.000 1.035 1070 V CA 1.016 63.329 62.300 0.022 0.000 1.013 1070 V CB -0.507 31.310 31.823 -0.010 0.000 0.652 1070 V HN 0.292 nan 8.190 nan 0.000 0.452 1071 L N 0.105 121.342 121.223 0.023 0.000 2.263 1071 L HA -0.249 4.091 4.340 -0.000 0.000 0.216 1071 L C 2.540 179.491 176.870 0.135 0.000 1.111 1071 L CA 1.514 56.397 54.840 0.072 0.000 0.773 1071 L CB -0.459 41.615 42.059 0.026 0.000 0.906 1071 L HN 0.422 nan 8.230 nan 0.000 0.439 1072 Q N 0.521 120.376 119.800 0.092 0.000 2.089 1072 Q HA -0.153 4.187 4.340 -0.000 0.000 0.195 1072 Q C 2.257 178.301 176.000 0.073 0.000 0.963 1072 Q CA 1.291 57.141 55.803 0.078 0.000 0.834 1072 Q CB -0.126 28.647 28.738 0.058 0.000 0.906 1072 Q HN 0.225 nan 8.270 nan 0.000 0.452 1073 R N -1.092 119.452 120.500 0.075 0.000 2.159 1073 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 1073 R C 1.919 178.271 176.300 0.087 0.000 1.131 1073 R CA 1.428 57.566 56.100 0.063 0.000 0.982 1073 R CB -0.313 30.020 30.300 0.055 0.000 0.868 1073 R HN 0.422 nan 8.270 nan 0.000 0.453 1074 Y N 0.872 121.163 120.300 -0.015 0.000 2.176 1074 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 1074 Y C 2.382 178.266 175.900 -0.028 0.000 1.122 1074 Y CA 1.806 59.892 58.100 -0.024 0.000 1.128 1074 Y CB -0.447 38.000 38.460 -0.022 0.000 1.005 1074 Y HN 0.071 nan 8.280 nan 0.000 0.509 1075 Q N 0.173 119.958 119.800 -0.025 0.000 2.197 1075 Q HA -0.243 4.097 4.340 -0.000 0.000 0.207 1075 Q C 1.486 177.404 176.000 -0.137 0.000 0.984 1075 Q CA 2.079 57.792 55.803 -0.151 0.000 0.869 1075 Q CB -0.195 28.517 28.738 -0.044 0.000 0.906 1075 Q HN 0.575 nan 8.270 nan 0.000 0.426 1076 D N 0.446 120.810 120.400 -0.061 0.000 2.097 1076 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 1076 D C 2.003 178.259 176.300 -0.073 0.000 0.984 1076 D CA 0.977 54.962 54.000 -0.025 0.000 0.826 1076 D CB -0.174 40.619 40.800 -0.012 0.000 0.973 1076 D HN 0.312 nan 8.370 nan 0.000 0.460 1077 L N 0.645 121.793 121.223 -0.125 0.000 2.017 1077 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 1077 L C 2.448 179.207 176.870 -0.185 0.000 1.073 1077 L CA 1.432 56.181 54.840 -0.150 0.000 0.745 1077 L CB -0.221 41.751 42.059 -0.146 0.000 0.894 1077 L HN 0.028 nan 8.230 nan 0.000 0.432 1078 C N -0.416 118.706 119.300 -0.298 0.000 2.413 1078 C HA -0.245 4.215 4.460 -0.000 0.000 0.276 1078 C C 2.615 177.572 174.990 -0.055 0.000 1.236 1078 C CA 1.288 60.153 59.018 -0.254 0.000 1.735 1078 C CB -1.489 26.011 27.740 -0.400 0.000 2.031 1078 C HN 0.726 nan 8.230 nan 0.000 0.474 1079 H N 1.290 120.259 119.070 -0.168 0.000 2.265 1079 H HA -0.187 4.369 4.556 -0.000 0.000 0.293 1079 H C 2.080 177.413 175.328 0.008 0.000 1.089 1079 H CA 2.038 58.033 56.048 -0.088 0.000 1.244 1079 H CB -0.171 29.534 29.762 -0.095 0.000 1.355 1079 H HN 0.467 nan 8.280 nan 0.000 0.485 1080 N N 0.533 119.205 118.700 -0.047 0.000 2.018 1080 N HA -0.166 4.574 4.740 -0.000 0.000 0.196 1080 N C 2.222 177.770 175.510 0.063 0.000 1.043 1080 N CA 1.420 54.419 53.050 -0.085 0.000 0.856 1080 N CB -0.792 37.628 38.487 -0.112 0.000 1.042 1080 N HN 0.215 nan 8.380 nan 0.000 0.423 1081 V N 1.245 121.170 119.914 0.020 0.000 2.250 1081 V HA -0.291 3.829 4.120 -0.000 0.000 0.250 1081 V C 2.149 178.331 176.094 0.146 0.000 1.060 1081 V CA 1.831 64.138 62.300 0.012 0.000 1.030 1081 V CB -0.830 30.867 31.823 -0.211 0.000 0.643 1081 V HN 0.311 nan 8.190 nan 0.000 0.445 1082 Y N -0.170 120.152 120.300 0.037 0.000 2.241 1082 Y HA -0.322 4.228 4.550 -0.000 0.000 0.286 1082 Y C 2.429 178.401 175.900 0.121 0.000 1.166 1082 Y CA 2.045 60.189 58.100 0.074 0.000 1.203 1082 Y CB -0.334 38.157 38.460 0.051 0.000 0.977 1082 Y HN 0.311 nan 8.280 nan 0.000 0.529 1083 C N -0.136 119.330 119.300 0.278 0.000 2.492 1083 C HA -0.092 4.368 4.460 -0.000 0.000 0.279 1083 C C 2.453 177.513 174.990 0.116 0.000 1.335 1083 C CA 0.885 60.024 59.018 0.202 0.000 1.734 1083 C CB -0.866 27.010 27.740 0.227 0.000 2.027 1083 C HN 0.592 nan 8.230 nan 0.000 0.496 1084 Q N 1.020 120.919 119.800 0.165 0.000 2.230 1084 Q HA -0.032 4.308 4.340 -0.000 0.000 0.202 1084 Q C 2.376 178.464 176.000 0.145 0.000 0.963 1084 Q CA 1.453 57.357 55.803 0.169 0.000 0.866 1084 Q CB -0.209 28.742 28.738 0.355 0.000 0.931 1084 Q HN 0.737 nan 8.270 nan 0.000 0.452 1085 A N 1.398 124.340 122.820 0.204 0.000 1.854 1085 A HA -0.153 4.166 4.320 -0.000 0.000 0.214 1085 A C 1.913 179.485 177.584 -0.019 0.000 1.192 1085 A CA 0.919 53.038 52.037 0.138 0.000 0.611 1085 A CB -0.246 18.814 19.000 0.099 0.000 0.832 1085 A HN 0.116 nan 8.150 nan 0.000 0.442 1086 E N 0.010 120.142 120.200 -0.113 0.000 2.284 1086 E HA -0.153 4.197 4.350 -0.000 0.000 0.200 1086 E C 1.970 178.563 176.600 -0.012 0.000 1.008 1086 E CA 1.594 57.929 56.400 -0.108 0.000 0.829 1086 E CB -0.648 28.976 29.700 -0.127 0.000 0.744 1086 E HN 0.626 nan 8.360 nan 0.000 0.491 1087 T N 1.014 115.587 114.554 0.031 0.000 2.732 1087 T HA -0.016 4.334 4.350 -0.000 0.000 0.261 1087 T C 2.104 176.843 174.700 0.064 0.000 1.040 1087 T CA 0.691 62.853 62.100 0.105 0.000 1.145 1087 T CB -0.137 68.763 68.868 0.054 0.000 0.866 1087 T HN 0.132 nan 8.240 nan 0.000 0.427 1088 I N 0.733 121.289 120.570 -0.023 0.000 2.264 1088 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 1088 I C 2.860 178.988 176.117 0.020 0.000 1.111 1088 I CA 1.256 62.538 61.300 -0.030 0.000 1.382 1088 I CB -0.328 37.604 38.000 -0.113 0.000 1.060 1088 I HN 0.136 nan 8.210 nan 0.000 0.418 1089 R N 0.118 120.617 120.500 -0.002 0.000 2.075 1089 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 1089 R C 2.278 178.552 176.300 -0.044 0.000 1.126 1089 R CA 1.780 57.871 56.100 -0.014 0.000 0.963 1089 R CB -0.634 29.647 30.300 -0.033 0.000 0.858 1089 R HN 0.346 nan 8.270 nan 0.000 0.435 1090 T N 0.950 115.455 114.554 -0.082 0.000 2.833 1090 T HA -0.070 4.280 4.350 -0.000 0.000 0.269 1090 T C 1.973 176.581 174.700 -0.153 0.000 1.054 1090 T CA 1.004 62.976 62.100 -0.213 0.000 1.135 1090 T CB -0.086 68.491 68.868 -0.486 0.000 0.869 1090 T HN -0.002 nan 8.240 nan 0.000 0.466 1091 V N 1.050 120.963 119.914 -0.001 0.000 2.427 1091 V HA -0.096 4.024 4.120 -0.000 0.000 0.248 1091 V C 2.243 178.364 176.094 0.045 0.000 1.051 1091 V CA 1.385 63.732 62.300 0.078 0.000 1.048 1091 V CB -0.484 31.421 31.823 0.137 0.000 0.666 1091 V HN 0.498 nan 8.190 nan 0.000 0.456 1092 I N 0.073 120.658 120.570 0.025 0.000 2.270 1092 I HA -0.051 4.119 4.170 -0.000 0.000 0.239 1092 I C 2.730 178.826 176.117 -0.035 0.000 1.080 1092 I CA 1.059 62.362 61.300 0.005 0.000 1.383 1092 I CB -0.754 37.250 38.000 0.006 0.000 1.097 1092 I HN 0.224 nan 8.210 nan 0.000 0.420 1093 A N 1.956 124.746 122.820 -0.049 0.000 1.940 1093 A HA -0.254 4.066 4.320 -0.000 0.000 0.221 1093 A C 2.210 179.763 177.584 -0.051 0.000 1.190 1093 A CA 2.409 54.411 52.037 -0.058 0.000 0.647 1093 A CB -1.268 17.696 19.000 -0.060 0.000 0.821 1093 A HN 0.673 nan 8.150 nan 0.000 0.457 1094 I N -4.743 115.794 120.570 -0.055 0.000 3.444 1094 I HA 0.083 4.253 4.170 -0.000 0.000 0.287 1094 I C 1.366 177.473 176.117 -0.018 0.000 1.302 1094 I CA 0.707 61.983 61.300 -0.040 0.000 1.368 1094 I CB -0.069 37.900 38.000 -0.051 0.000 1.048 1094 I HN 0.092 nan 8.210 nan 0.000 0.487 1095 R N 1.195 121.683 120.500 -0.019 0.000 2.652 1095 R HA 0.482 4.822 4.340 -0.000 0.000 0.372 1095 R C -0.211 176.074 176.300 -0.026 0.000 1.104 1095 R CA -0.268 55.824 56.100 -0.012 0.000 1.072 1095 R CB 0.578 30.878 30.300 0.001 0.000 1.367 1095 R HN 0.325 nan 8.270 nan 0.000 0.577 1096 I N 4.000 124.550 120.570 -0.032 0.000 2.312 1096 I HA 0.178 4.348 4.170 -0.000 0.000 0.291 1096 I C -1.436 174.681 176.117 0.000 0.000 1.031 1096 I CA -1.892 59.387 61.300 -0.036 0.000 1.293 1096 I CB 0.911 38.883 38.000 -0.047 0.000 1.403 1096 I HN -0.087 nan 8.210 nan 0.000 0.484 1097 P HA 0.004 nan 4.420 nan 0.000 0.274 1097 P C -0.253 177.071 177.300 0.041 0.000 1.264 1097 P CA -0.437 62.673 63.100 0.016 0.000 0.795 1097 P CB 0.558 32.260 31.700 0.003 0.000 1.064 1098 E N -0.017 120.203 120.200 0.033 0.000 2.529 1098 E HA -0.149 4.201 4.350 -0.000 0.000 0.259 1098 E C -0.130 176.514 176.600 0.073 0.000 0.966 1098 E CA -0.013 56.418 56.400 0.051 0.000 0.937 1098 E CB -0.025 29.690 29.700 0.025 0.000 0.923 1098 E HN 0.379 nan 8.360 nan 0.000 0.468 1099 H N 4.610 123.689 119.070 0.015 0.000 3.082 1099 H HA 0.118 4.674 4.556 -0.000 0.000 0.275 1099 H C -0.703 174.632 175.328 0.011 0.000 1.032 1099 H CA 0.649 56.709 56.048 0.020 0.000 1.477 1099 H CB 0.187 29.960 29.762 0.019 0.000 1.520 1099 H HN 0.346 nan 8.280 nan 0.000 0.521 1100 K N 3.123 123.294 120.400 -0.381 0.000 2.349 1100 K HA 0.239 4.559 4.320 -0.000 0.000 0.243 1100 K C 0.186 176.566 176.600 -0.368 0.000 1.058 1100 K CA -0.959 55.148 56.287 -0.300 0.000 0.871 1100 K CB 1.406 33.824 32.500 -0.137 0.000 1.337 1100 K HN 0.541 nan 8.250 nan 0.000 0.469 1101 E N 1.429 121.505 120.200 -0.206 0.000 2.548 1101 E HA 0.052 4.402 4.350 -0.000 0.000 0.206 1101 E C -0.727 175.820 176.600 -0.089 0.000 1.005 1101 E CA 0.232 56.546 56.400 -0.144 0.000 0.951 1101 E CB 0.735 30.379 29.700 -0.093 0.000 1.035 1101 E HN 0.580 nan 8.360 nan 0.000 0.470 1102 E N -0.601 119.547 120.200 -0.086 0.000 2.433 1102 E HA 0.309 4.659 4.350 -0.000 0.000 0.278 1102 E C -0.701 175.867 176.600 -0.053 0.000 0.976 1102 E CA -0.818 55.547 56.400 -0.057 0.000 0.793 1102 E CB 0.991 30.662 29.700 -0.048 0.000 1.311 1102 E HN -0.250 nan 8.360 nan 0.000 0.460 1103 D N 0.460 120.836 120.400 -0.040 0.000 2.723 1103 D HA -0.147 4.493 4.640 -0.000 0.000 0.236 1103 D C -0.707 175.575 176.300 -0.030 0.000 1.138 1103 D CA 0.576 54.555 54.000 -0.035 0.000 0.676 1103 D CB -1.309 39.468 40.800 -0.038 0.000 1.069 1103 D HN 0.567 nan 8.370 nan 0.000 0.430 1104 N N 0.270 118.955 118.700 -0.024 0.000 2.321 1104 N HA 0.140 4.880 4.740 -0.000 0.000 0.242 1104 N C 1.781 177.292 175.510 0.000 0.000 1.141 1104 N CA -0.283 52.762 53.050 -0.008 0.000 0.864 1104 N CB 0.220 38.706 38.487 -0.002 0.000 1.100 1104 N HN 0.412 nan 8.380 nan 0.000 0.510 1105 L N -0.333 120.882 121.223 -0.012 0.000 2.093 1105 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 1105 L C 2.335 179.195 176.870 -0.017 0.000 1.085 1105 L CA 1.366 56.198 54.840 -0.014 0.000 0.755 1105 L CB -0.347 41.697 42.059 -0.024 0.000 0.904 1105 L HN 0.222 nan 8.230 nan 0.000 0.435 1106 G N -0.713 108.072 108.800 -0.025 0.000 2.411 1106 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.213 1106 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.213 1106 G C 1.578 176.466 174.900 -0.020 0.000 1.166 1106 G CA 0.536 45.614 45.100 -0.037 0.000 0.802 1106 G HN 0.143 nan 8.290 nan 0.000 0.533 1107 V N 1.949 121.864 119.914 0.002 0.000 2.380 1107 V HA -0.228 3.892 4.120 -0.000 0.000 0.251 1107 V C 3.330 179.480 176.094 0.093 0.000 1.063 1107 V CA 2.075 64.395 62.300 0.034 0.000 1.055 1107 V CB -1.011 30.862 31.823 0.084 0.000 0.657 1107 V HN 0.462 nan 8.190 nan 0.000 0.455 1108 A N -0.152 122.720 122.820 0.087 0.000 1.883 1108 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 1108 A C 2.416 180.045 177.584 0.076 0.000 1.186 1108 A CA 2.215 54.312 52.037 0.100 0.000 0.624 1108 A CB -0.755 18.276 19.000 0.051 0.000 0.822 1108 A HN 0.351 nan 8.150 nan 0.000 0.444 1109 V N 0.165 120.094 119.914 0.026 0.000 2.332 1109 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 1109 V C 2.680 178.775 176.094 0.002 0.000 1.055 1109 V CA 2.294 64.597 62.300 0.005 0.000 1.038 1109 V CB -0.988 30.816 31.823 -0.032 0.000 0.651 1109 V HN 0.649 nan 8.190 nan 0.000 0.450 1110 Q N -0.928 118.854 119.800 -0.031 0.000 2.002 1110 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 1110 Q C 2.331 178.283 176.000 -0.081 0.000 0.988 1110 Q CA 1.864 57.617 55.803 -0.084 0.000 0.843 1110 Q CB -0.392 28.244 28.738 -0.170 0.000 0.908 1110 Q HN 0.692 nan 8.270 nan 0.000 0.420 1111 H N 0.081 119.164 119.070 0.021 0.000 2.387 1111 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 1111 H C 2.094 177.440 175.328 0.030 0.000 1.099 1111 H CA 1.406 57.469 56.048 0.026 0.000 1.315 1111 H CB -0.170 29.607 29.762 0.025 0.000 1.380 1111 H HN 0.342 nan 8.280 nan 0.000 0.513 1112 A N 0.590 123.491 122.820 0.135 0.000 1.858 1112 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 1112 A C 2.886 180.518 177.584 0.080 0.000 1.190 1112 A CA 1.867 53.959 52.037 0.092 0.000 0.617 1112 A CB -0.958 18.081 19.000 0.066 0.000 0.827 1112 A HN 0.216 nan 8.150 nan 0.000 0.443 1113 V N 0.181 120.136 119.914 0.068 0.000 2.343 1113 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 1113 V C 2.564 178.709 176.094 0.084 0.000 1.051 1113 V CA 1.859 64.207 62.300 0.080 0.000 1.036 1113 V CB -0.765 31.106 31.823 0.080 0.000 0.654 1113 V HN 0.560 nan 8.190 nan 0.000 0.451 1114 L N -0.164 121.099 121.223 0.067 0.000 2.081 1114 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 1114 L C 2.600 179.517 176.870 0.078 0.000 1.080 1114 L CA 2.071 56.949 54.840 0.063 0.000 0.754 1114 L CB -0.553 41.533 42.059 0.044 0.000 0.893 1114 L HN 0.364 nan 8.230 nan 0.000 0.433 1115 K N 0.623 121.076 120.400 0.089 0.000 2.057 1115 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 1115 K C 2.155 178.801 176.600 0.078 0.000 1.050 1115 K CA 1.259 57.596 56.287 0.083 0.000 0.935 1115 K CB -0.058 32.490 32.500 0.081 0.000 0.715 1115 K HN 0.255 nan 8.250 nan 0.000 0.439 1116 I N 0.828 121.447 120.570 0.082 0.000 2.361 1116 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 1116 I C 1.863 178.034 176.117 0.091 0.000 1.133 1116 I CA 1.111 62.462 61.300 0.085 0.000 1.413 1116 I CB 0.054 38.109 38.000 0.091 0.000 1.073 1116 I HN 0.256 nan 8.210 nan 0.000 0.424 1117 I N 0.864 121.492 120.570 0.097 0.000 2.252 1117 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 1117 I C 1.930 178.092 176.117 0.075 0.000 1.102 1117 I CA 1.346 62.707 61.300 0.101 0.000 1.385 1117 I CB -0.520 37.538 38.000 0.095 0.000 1.064 1117 I HN 0.262 nan 8.210 nan 0.000 0.414 1118 D N 0.413 120.853 120.400 0.067 0.000 2.178 1118 D HA -0.214 4.426 4.640 -0.000 0.000 0.202 1118 D C 1.953 178.297 176.300 0.074 0.000 0.974 1118 D CA 1.004 55.042 54.000 0.063 0.000 0.841 1118 D CB -0.167 40.671 40.800 0.063 0.000 0.953 1118 D HN 0.435 nan 8.370 nan 0.000 0.478 1119 E N 0.182 120.427 120.200 0.075 0.000 2.150 1119 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 1119 E C 2.090 178.739 176.600 0.082 0.000 0.985 1119 E CA 0.289 56.737 56.400 0.080 0.000 0.814 1119 E CB 0.081 29.828 29.700 0.079 0.000 0.752 1119 E HN 0.100 nan 8.360 nan 0.000 0.466 1120 L N 1.263 122.527 121.223 0.068 0.000 2.044 1120 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 1120 L C 1.869 178.775 176.870 0.059 0.000 1.075 1120 L CA 1.825 56.690 54.840 0.042 0.000 0.747 1120 L CB -0.352 41.725 42.059 0.030 0.000 0.903 1120 L HN 0.029 nan 8.230 nan 0.000 0.435 1121 E N -0.281 119.965 120.200 0.076 0.000 2.160 1121 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 1121 E C 2.276 178.990 176.600 0.189 0.000 0.991 1121 E CA 1.564 58.046 56.400 0.136 0.000 0.810 1121 E CB -0.205 29.535 29.700 0.066 0.000 0.742 1121 E HN 0.594 nan 8.360 nan 0.000 0.466 1122 I N 0.915 121.567 120.570 0.136 0.000 2.252 1122 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 1122 I C 2.216 178.403 176.117 0.116 0.000 1.102 1122 I CA 0.848 62.224 61.300 0.126 0.000 1.385 1122 I CB -0.073 37.988 38.000 0.101 0.000 1.064 1122 I HN 0.030 nan 8.210 nan 0.000 0.414 1123 K N 0.449 120.916 120.400 0.112 0.000 2.002 1123 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 1123 K C 2.154 178.812 176.600 0.098 0.000 1.048 1123 K CA 2.215 58.573 56.287 0.118 0.000 0.930 1123 K CB -1.192 31.393 32.500 0.141 0.000 0.714 1123 K HN 0.448 nan 8.250 nan 0.000 0.438 1124 T N 0.787 115.384 114.554 0.072 0.000 2.684 1124 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 1124 T C 2.046 176.758 174.700 0.021 0.000 1.036 1124 T CA 1.211 63.325 62.100 0.023 0.000 1.148 1124 T CB -0.560 68.326 68.868 0.029 0.000 0.863 1124 T HN 0.045 nan 8.240 nan 0.000 0.436 1125 L N 1.918 123.190 121.223 0.082 0.000 2.187 1125 L HA 0.232 4.572 4.340 -0.000 0.000 0.213 1125 L C 1.415 178.340 176.870 0.093 0.000 1.100 1125 L CA 1.598 56.466 54.840 0.047 0.000 0.765 1125 L CB -1.322 40.796 42.059 0.099 0.000 0.904 1125 L HN 0.927 nan 8.230 nan 0.000 0.437 1126 G N -2.168 106.693 108.800 0.100 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 0.609 175.574 174.900 0.109 0.000 1.364 1126 G CA 0.351 45.521 45.100 0.115 0.000 0.866 1126 G HN 0.568 nan 8.290 nan 0.000 0.555 1127 S N -0.441 115.316 115.700 0.096 0.000 2.325 1127 S HA 0.421 4.891 4.470 -0.000 0.000 0.213 1127 S C 2.339 176.979 174.600 0.067 0.000 1.031 1127 S CA 1.770 60.011 58.200 0.069 0.000 0.984 1127 S CB -0.688 62.540 63.200 0.048 0.000 0.939 1127 S HN 2.929 nan 8.310 nan 0.000 0.438 1128 G N 1.123 109.972 108.800 0.080 0.000 2.715 1128 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.221 1128 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.221 1128 G C -0.051 174.859 174.900 0.016 0.000 1.204 1128 G CA 0.135 45.254 45.100 0.032 0.000 1.063 1128 G HN 0.440 nan 8.290 nan 0.000 0.586 1129 E N -0.616 119.578 120.200 -0.010 0.000 2.534 1129 E HA 0.175 4.525 4.350 -0.000 0.000 0.179 1129 E C -0.049 176.546 176.600 -0.008 0.000 0.916 1129 E CA 0.233 56.630 56.400 -0.004 0.000 1.354 1129 E CB 0.979 30.672 29.700 -0.011 0.000 1.321 1129 E HN 0.434 nan 8.360 nan 0.000 0.663 1130 K N 1.716 122.108 120.400 -0.013 0.000 2.376 1130 K HA 0.465 4.785 4.320 -0.000 0.000 0.257 1130 K C -1.062 175.538 176.600 -0.001 0.000 0.939 1130 K CA -0.479 55.803 56.287 -0.010 0.000 0.809 1130 K CB 1.573 34.062 32.500 -0.017 0.000 1.121 1130 K HN 0.001 nan 8.250 nan 0.000 0.425 1131 S N 1.958 117.660 115.700 0.003 0.000 2.513 1131 S HA 0.662 5.132 4.470 -0.000 0.000 0.299 1131 S C 0.067 174.673 174.600 0.010 0.000 1.087 1131 S CA -0.872 57.333 58.200 0.008 0.000 1.012 1131 S CB 1.552 64.758 63.200 0.009 0.000 1.044 1131 S HN 0.750 nan 8.310 nan 0.000 0.485 1132 G N 1.395 110.204 108.800 0.015 0.000 2.343 1132 G HA2 0.342 4.302 3.960 -0.000 0.000 0.254 1132 G HA3 0.342 4.302 3.960 -0.000 0.000 0.254 1132 G C 1.075 175.984 174.900 0.015 0.000 1.277 1132 G CA -0.112 44.999 45.100 0.017 0.000 0.909 1132 G HN 1.490 nan 8.290 nan 0.000 0.502 1133 S N 1.579 117.287 115.700 0.013 0.000 2.462 1133 S HA -0.230 4.240 4.470 -0.000 0.000 0.255 1133 S C 2.186 176.791 174.600 0.010 0.000 1.058 1133 S CA 1.692 59.898 58.200 0.010 0.000 1.019 1133 S CB -0.414 62.792 63.200 0.010 0.000 0.801 1133 S HN 0.992 nan 8.310 nan 0.000 0.491 1134 G N 0.396 109.204 108.800 0.012 0.000 2.813 1134 G HA2 0.461 4.421 3.960 -0.000 0.000 0.209 1134 G HA3 0.461 4.421 3.960 -0.000 0.000 0.209 1134 G C 0.947 175.851 174.900 0.007 0.000 1.150 1134 G CA 0.140 45.246 45.100 0.011 0.000 0.785 1134 G HN 1.331 nan 8.290 nan 0.000 0.535 1135 G N -0.469 108.336 108.800 0.008 0.000 2.496 1135 G HA2 0.240 4.200 3.960 -0.000 0.000 0.243 1135 G HA3 0.240 4.200 3.960 -0.000 0.000 0.243 1135 G C 0.482 175.386 174.900 0.007 0.000 1.176 1135 G CA 0.343 45.446 45.100 0.005 0.000 0.940 1135 G HN 1.380 nan 8.290 nan 0.000 0.573 1136 A N 0.540 123.361 122.820 0.002 0.000 2.795 1136 A HA 0.733 5.053 4.320 -0.000 0.000 0.282 1136 A C -0.517 177.060 177.584 -0.012 0.000 0.964 1136 A CA 0.825 52.864 52.037 0.002 0.000 1.045 1136 A CB 0.547 19.550 19.000 0.004 0.000 1.174 1136 A HN 0.673 nan 8.150 nan 0.000 0.493 1137 P HA -0.058 nan 4.420 nan 0.000 0.234 1137 P C 0.654 177.922 177.300 -0.052 0.000 1.167 1137 P CA 0.987 64.065 63.100 -0.037 0.000 0.763 1137 P CB -0.250 31.429 31.700 -0.035 0.000 0.835 1138 T N 0.895 115.432 114.554 -0.028 0.000 2.779 1138 T HA 0.220 4.570 4.350 -0.000 0.000 0.296 1138 T C -1.653 173.033 174.700 -0.022 0.000 0.938 1138 T CA -1.692 60.396 62.100 -0.020 0.000 1.119 1138 T CB 0.358 69.243 68.868 0.028 0.000 0.891 1138 T HN -0.118 nan 8.240 nan 0.000 0.526 1139 P HA -0.083 nan 4.420 nan 0.000 0.224 1139 P C 0.112 177.382 177.300 -0.051 0.000 0.880 1139 P CA 0.852 63.919 63.100 -0.056 0.000 1.070 1139 P CB 0.178 31.855 31.700 -0.040 0.000 0.652 1140 I N -2.253 118.304 120.570 -0.021 0.000 2.545 1140 I HA 0.522 4.692 4.170 -0.000 0.000 0.292 1140 I C 0.625 176.820 176.117 0.130 0.000 1.040 1140 I CA -1.019 60.281 61.300 -0.000 0.000 1.068 1140 I CB 1.789 39.725 38.000 -0.107 0.000 1.251 1140 I HN 0.120 nan 8.210 nan 0.000 0.424 1141 G N 5.330 114.218 108.800 0.147 0.000 2.527 1141 G HA2 0.074 4.034 3.960 -0.000 0.000 0.279 1141 G HA3 0.074 4.034 3.960 -0.000 0.000 0.279 1141 G C 0.475 175.484 174.900 0.182 0.000 1.374 1141 G CA -0.169 45.039 45.100 0.181 0.000 1.053 1141 G HN 0.804 nan 8.290 nan 0.000 0.539 1142 M N -1.760 117.842 119.600 0.003 0.000 2.453 1142 M HA 0.434 4.914 4.480 -0.000 0.000 0.239 1142 M C -0.179 175.911 176.300 -0.349 0.000 1.151 1142 M CA 0.325 55.498 55.300 -0.212 0.000 0.989 1142 M CB 0.346 32.697 32.600 -0.415 0.000 1.548 1142 M HN 0.338 nan 8.290 nan 0.000 0.479 1143 Y N 0.306 120.661 120.300 0.092 0.000 2.751 1143 Y HA 0.604 5.154 4.550 -0.000 0.000 0.289 1143 Y C 1.874 177.869 175.900 0.158 0.000 1.110 1143 Y CA -0.329 57.825 58.100 0.091 0.000 1.251 1143 Y CB -0.056 38.438 38.460 0.056 0.000 1.178 1143 Y HN 0.426 nan 8.280 nan 0.000 0.540 1144 A N 0.044 123.031 122.820 0.278 0.000 1.883 1144 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 1144 A C 2.077 179.871 177.584 0.350 0.000 1.186 1144 A CA 1.597 53.837 52.037 0.338 0.000 0.624 1144 A CB -0.588 18.583 19.000 0.284 0.000 0.822 1144 A HN 0.476 nan 8.150 nan 0.000 0.444 1145 L N -0.357 121.019 121.223 0.255 0.000 1.990 1145 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 1145 L C 2.567 179.568 176.870 0.218 0.000 1.072 1145 L CA 2.552 57.529 54.840 0.227 0.000 0.755 1145 L CB -0.754 41.401 42.059 0.160 0.000 0.889 1145 L HN 0.509 nan 8.230 nan 0.000 0.432 1146 R N 0.066 120.692 120.500 0.210 0.000 2.080 1146 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 1146 R C 2.161 178.549 176.300 0.145 0.000 1.137 1146 R CA 2.015 58.213 56.100 0.163 0.000 0.943 1146 R CB -0.502 29.908 30.300 0.184 0.000 0.846 1146 R HN 0.526 nan 8.270 nan 0.000 0.431 1147 E N -1.203 119.133 120.200 0.226 0.000 2.110 1147 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 1147 E C 1.700 178.401 176.600 0.168 0.000 0.988 1147 E CA 1.269 57.817 56.400 0.248 0.000 0.804 1147 E CB -0.330 29.600 29.700 0.383 0.000 0.745 1147 E HN 0.376 nan 8.360 nan 0.000 0.458 1148 Y N 1.601 121.851 120.300 -0.083 0.000 2.089 1148 Y HA -0.189 4.361 4.550 -0.000 0.000 0.282 1148 Y C 1.914 177.592 175.900 -0.369 0.000 1.139 1148 Y CA 1.400 59.108 58.100 -0.654 0.000 1.123 1148 Y CB -0.442 37.699 38.460 -0.532 0.000 0.980 1148 Y HN -0.074 nan 8.280 nan 0.000 0.493 1149 L N -0.740 120.288 121.223 -0.326 0.000 2.079 1149 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 1149 L C 2.772 179.492 176.870 -0.250 0.000 1.081 1149 L CA 1.707 56.332 54.840 -0.357 0.000 0.752 1149 L CB -0.853 41.122 42.059 -0.140 0.000 0.896 1149 L HN 0.258 nan 8.230 nan 0.000 0.433 1150 S N -0.461 115.154 115.700 -0.142 0.000 2.402 1150 S HA -0.093 4.377 4.470 -0.000 0.000 0.229 1150 S C 2.063 176.603 174.600 -0.100 0.000 1.021 1150 S CA 1.071 59.220 58.200 -0.085 0.000 0.974 1150 S CB 0.046 63.235 63.200 -0.018 0.000 0.800 1150 S HN 0.436 nan 8.310 nan 0.000 0.484 1151 A N 1.485 124.221 122.820 -0.141 0.000 1.872 1151 A HA 0.084 4.404 4.320 -0.000 0.000 0.214 1151 A C 2.206 179.691 177.584 -0.165 0.000 1.187 1151 A CA 1.228 53.199 52.037 -0.110 0.000 0.614 1151 A CB -0.653 18.300 19.000 -0.078 0.000 0.826 1151 A HN 0.552 nan 8.150 nan 0.000 0.442 1152 R N -0.437 119.874 120.500 -0.314 0.000 2.075 1152 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 1152 R C 2.542 178.728 176.300 -0.190 0.000 1.126 1152 R CA 1.535 57.459 56.100 -0.292 0.000 0.963 1152 R CB -0.299 29.693 30.300 -0.513 0.000 0.858 1152 R HN 0.528 nan 8.270 nan 0.000 0.435 1153 S N -0.540 115.046 115.700 -0.190 0.000 2.365 1153 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 1153 S C 1.709 176.261 174.600 -0.080 0.000 1.039 1153 S CA 2.121 60.248 58.200 -0.121 0.000 1.033 1153 S CB -0.359 62.776 63.200 -0.107 0.000 0.887 1153 S HN 0.475 nan 8.310 nan 0.000 0.447 1154 T N 1.288 115.799 114.554 -0.072 0.000 2.833 1154 T HA -0.035 4.315 4.350 -0.000 0.000 0.269 1154 T C 1.722 176.398 174.700 -0.039 0.000 1.054 1154 T CA 1.473 63.545 62.100 -0.046 0.000 1.135 1154 T CB -0.275 68.573 68.868 -0.034 0.000 0.869 1154 T HN 0.319 nan 8.240 nan 0.000 0.466 1155 V N 1.056 120.941 119.914 -0.048 0.000 2.788 1155 V HA 0.015 4.135 4.120 -0.000 0.000 0.251 1155 V C 2.180 178.256 176.094 -0.031 0.000 1.068 1155 V CA 1.038 63.317 62.300 -0.036 0.000 1.090 1155 V CB -0.409 31.391 31.823 -0.037 0.000 0.710 1155 V HN 0.507 nan 8.190 nan 0.000 0.467 1156 E N -0.137 120.038 120.200 -0.042 0.000 2.418 1156 E HA -0.143 4.207 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 0.643 57.023 56.400 -0.033 0.000 0.862 1156 E CB 0.040 29.711 29.700 -0.047 0.000 0.799 1156 E HN 0.570 nan 8.360 nan 0.000 0.518 1157 D N 0.486 120.870 120.400 -0.027 0.000 2.240 1157 D HA -0.023 4.617 4.640 -0.000 0.000 0.206 1157 D C 1.577 177.868 176.300 -0.015 0.000 0.963 1157 D CA 0.715 54.702 54.000 -0.021 0.000 0.863 1157 D CB 0.333 41.120 40.800 -0.022 0.000 0.973 1157 D HN 0.099 nan 8.370 nan 0.000 0.501 1158 K N 0.530 120.921 120.400 -0.015 0.000 2.005 1158 K HA 0.051 4.371 4.320 -0.000 0.000 0.206 1158 K C 2.356 178.952 176.600 -0.007 0.000 1.044 1158 K CA 0.462 56.743 56.287 -0.010 0.000 0.942 1158 K CB -0.125 32.370 32.500 -0.010 0.000 0.727 1158 K HN 0.036 nan 8.250 nan 0.000 0.439 1159 L N 1.092 122.311 121.223 -0.005 0.000 2.127 1159 L HA -0.121 4.219 4.340 -0.000 0.000 0.211 1159 L C 1.168 178.037 176.870 -0.002 0.000 1.089 1159 L CA 0.826 55.666 54.840 0.000 0.000 0.757 1159 L CB -0.197 41.866 42.059 0.006 0.000 0.899 1159 L HN 0.181 nan 8.230 nan 0.000 0.434 1160 L N 0.459 121.679 121.223 -0.006 0.000 2.589 1160 L HA 0.299 4.639 4.340 -0.000 0.000 0.244 1160 L C 1.117 177.982 176.870 -0.007 0.000 1.159 1160 L CA -0.404 54.432 54.840 -0.006 0.000 1.074 1160 L CB -0.074 41.981 42.059 -0.008 0.000 1.391 1160 L HN 0.284 nan 8.230 nan 0.000 0.423 1161 G N 1.172 109.969 108.800 -0.005 0.000 2.627 1161 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.312 1161 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.312 1161 G C 0.154 175.049 174.900 -0.007 0.000 1.299 1161 G CA 0.486 45.582 45.100 -0.006 0.000 0.989 1161 G HN 0.414 nan 8.290 nan 0.000 0.547 1162 V N -1.880 118.030 119.914 -0.007 0.000 5.776 1162 V HA 0.304 4.424 4.120 -0.000 0.000 0.307 1162 V C -0.763 175.327 176.094 -0.006 0.000 1.671 1162 V CA 0.624 62.920 62.300 -0.007 0.000 0.825 1162 V CB 0.200 32.019 31.823 -0.006 0.000 1.458 1162 V HN 0.884 nan 8.190 nan 0.000 0.430 1163 D N 1.974 122.370 120.400 -0.006 0.000 2.950 1163 D HA 0.463 5.103 4.640 -0.000 0.000 0.265 1163 D C 0.126 176.423 176.300 -0.005 0.000 1.405 1163 D CA 1.803 55.800 54.000 -0.005 0.000 0.998 1163 D CB 0.012 40.809 40.800 -0.005 0.000 1.154 1163 D HN 1.122 nan 8.370 nan 0.000 0.586 1164 A N 3.039 125.855 122.820 -0.006 0.000 2.811 1164 A HA 0.438 4.758 4.320 -0.000 0.000 0.269 1164 A C -1.487 176.094 177.584 -0.006 0.000 1.011 1164 A CA -0.891 51.142 52.037 -0.005 0.000 0.540 1164 A CB 0.440 19.437 19.000 -0.005 0.000 1.626 1164 A HN 0.312 nan 8.150 nan 0.000 0.777 1165 E N -0.124 120.073 120.200 -0.006 0.000 2.647 1165 E HA 0.492 4.842 4.350 -0.000 0.000 0.320 1165 E C -0.891 175.705 176.600 -0.007 0.000 0.951 1165 E CA -0.213 56.183 56.400 -0.007 0.000 0.809 1165 E CB 1.357 31.053 29.700 -0.006 0.000 1.295 1165 E HN 1.118 nan 8.360 nan 0.000 0.407 1166 S N 2.013 117.708 115.700 -0.008 0.000 4.588 1166 S HA 0.071 4.541 4.470 -0.000 0.000 0.498 1166 S C 0.647 175.243 174.600 -0.007 0.000 0.720 1166 S CA 0.962 59.157 58.200 -0.008 0.000 1.257 1166 S CB -0.562 62.633 63.200 -0.010 0.000 1.968 1166 S HN 0.922 nan 8.310 nan 0.000 0.362 1167 G N 3.026 111.822 108.800 -0.006 0.000 2.401 1167 G HA2 0.372 4.332 3.960 -0.000 0.000 0.068 1167 G HA3 0.372 4.332 3.960 -0.000 0.000 0.068 1167 G C -1.770 173.127 174.900 -0.004 0.000 0.911 1167 G CA -0.513 44.583 45.100 -0.006 0.000 1.242 1167 G HN 0.684 nan 8.290 nan 0.000 0.504 1168 K N -0.020 120.377 120.400 -0.004 0.000 2.535 1168 K HA 0.773 5.093 4.320 -0.000 0.000 0.251 1168 K C -1.479 175.119 176.600 -0.003 0.000 0.942 1168 K CA -0.701 55.584 56.287 -0.003 0.000 0.798 1168 K CB 2.337 34.835 32.500 -0.003 0.000 1.267 1168 K HN 0.567 nan 8.250 nan 0.000 0.434 1169 T N 0.647 115.199 114.554 -0.003 0.000 2.677 1169 T HA 0.142 4.492 4.350 -0.000 0.000 0.305 1169 T C 0.178 174.876 174.700 -0.003 0.000 1.569 1169 T CA -0.889 61.209 62.100 -0.003 0.000 0.984 1169 T CB 1.610 70.475 68.868 -0.004 0.000 1.629 1169 T HN 0.599 nan 8.240 nan 0.000 0.494 1170 K N 0.866 121.264 120.400 -0.003 0.000 2.097 1170 K HA 0.148 4.468 4.320 -0.000 0.000 0.205 1170 K C 1.142 177.740 176.600 -0.003 0.000 1.050 1170 K CA 1.144 57.430 56.287 -0.003 0.000 0.938 1170 K CB -0.536 31.962 32.500 -0.003 0.000 0.718 1170 K HN 0.663 nan 8.250 nan 0.000 0.442 1171 G N 0.220 109.018 108.800 -0.004 0.000 2.530 1171 G HA2 0.425 4.385 3.960 -0.000 0.000 0.313 1171 G HA3 0.425 4.385 3.960 -0.000 0.000 0.313 1171 G C 0.200 175.098 174.900 -0.004 0.000 0.971 1171 G CA -0.239 44.859 45.100 -0.004 0.000 1.237 1171 G HN 0.359 nan 8.290 nan 0.000 0.446 1172 G N 0.914 109.712 108.800 -0.003 0.000 2.582 1172 G HA2 0.778 4.738 3.960 -0.000 0.000 0.232 1172 G HA3 0.778 4.738 3.960 -0.000 0.000 0.232 1172 G C 0.295 175.193 174.900 -0.003 0.000 1.458 1172 G CA -0.171 44.928 45.100 -0.003 0.000 1.062 1172 G HN 1.108 nan 8.290 nan 0.000 0.566 1173 G N -1.972 106.827 108.800 -0.002 0.000 2.554 1173 G HA2 0.473 4.433 3.960 -0.000 0.000 0.306 1173 G HA3 0.473 4.433 3.960 -0.000 0.000 0.306 1173 G C -0.919 173.980 174.900 -0.001 0.000 1.320 1173 G CA 0.419 45.518 45.100 -0.002 0.000 0.800 1173 G HN 0.935 nan 8.290 nan 0.000 0.481 1174 S N -1.043 114.656 115.700 -0.001 0.000 2.601 1174 S HA 0.339 4.809 4.470 -0.000 0.000 0.271 1174 S C 0.760 175.361 174.600 0.001 0.000 1.305 1174 S CA -0.247 57.953 58.200 -0.001 0.000 1.022 1174 S CB 1.280 64.479 63.200 -0.001 0.000 0.940 1174 S HN 0.445 nan 8.310 nan 0.000 0.525 1175 Q N 1.728 121.528 119.800 0.001 0.000 2.408 1175 Q HA 0.118 4.458 4.340 -0.000 0.000 0.205 1175 Q C 0.621 176.623 176.000 0.003 0.000 0.919 1175 Q CA 0.101 55.905 55.803 0.002 0.000 0.932 1175 Q CB -0.305 28.434 28.738 0.002 0.000 1.058 1175 Q HN 0.679 nan 8.270 nan 0.000 0.517 1176 S N 3.975 119.676 115.700 0.001 0.000 3.106 1176 S HA -0.031 4.439 4.470 -0.000 0.000 0.363 1176 S C -1.188 173.413 174.600 0.002 0.000 1.191 1176 S CA -0.823 57.377 58.200 0.001 0.000 1.191 1176 S CB 0.506 63.706 63.200 -0.001 0.000 0.884 1176 S HN 0.112 nan 8.310 nan 0.000 0.526 1177 P HA -0.062 nan 4.420 nan 0.000 0.219 1177 P C 1.201 178.500 177.300 -0.001 0.000 1.146 1177 P CA 0.888 63.990 63.100 0.003 0.000 0.808 1177 P CB 0.017 31.719 31.700 0.003 0.000 0.779 1178 S N -0.066 115.632 115.700 -0.004 0.000 2.406 1178 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 1178 S C 1.829 176.422 174.600 -0.012 0.000 1.020 1178 S CA 0.477 58.672 58.200 -0.009 0.000 0.965 1178 S CB -0.968 62.228 63.200 -0.007 0.000 0.798 1178 S HN 0.080 nan 8.310 nan 0.000 0.488 1179 L N 1.452 122.670 121.223 -0.008 0.000 2.191 1179 L HA 0.046 4.386 4.340 -0.000 0.000 0.212 1179 L C 1.873 178.737 176.870 -0.011 0.000 1.103 1179 L CA 1.185 56.020 54.840 -0.009 0.000 0.769 1179 L CB -0.430 41.626 42.059 -0.004 0.000 0.908 1179 L HN 0.268 nan 8.230 nan 0.000 0.438 1180 L N -1.283 119.938 121.223 -0.004 0.000 2.131 1180 L HA -0.070 4.270 4.340 -0.000 0.000 0.206 1180 L C 2.125 178.977 176.870 -0.030 0.000 1.087 1180 L CA 1.587 56.431 54.840 0.007 0.000 0.767 1180 L CB -0.420 41.655 42.059 0.028 0.000 0.917 1180 L HN 0.231 nan 8.230 nan 0.000 0.441 1181 L N -0.578 120.619 121.223 -0.044 0.000 2.201 1181 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 1181 L C 2.462 179.260 176.870 -0.120 0.000 1.105 1181 L CA 1.206 55.992 54.840 -0.089 0.000 0.775 1181 L CB -0.430 41.596 42.059 -0.054 0.000 0.913 1181 L HN 0.429 nan 8.230 nan 0.000 0.440 1182 E N 0.458 120.613 120.200 -0.075 0.000 2.152 1182 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 1182 E C 2.157 178.708 176.600 -0.082 0.000 0.983 1182 E CA 0.640 57.003 56.400 -0.060 0.000 0.818 1182 E CB 0.112 29.795 29.700 -0.028 0.000 0.758 1182 E HN 0.311 nan 8.360 nan 0.000 0.467 1183 L N 1.109 122.273 121.223 -0.098 0.000 2.201 1183 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 1183 L C 2.332 179.053 176.870 -0.249 0.000 1.105 1183 L CA 1.570 56.355 54.840 -0.092 0.000 0.775 1183 L CB -0.266 41.790 42.059 -0.005 0.000 0.913 1183 L HN -0.016 nan 8.230 nan 0.000 0.440 1184 R N -1.362 118.836 120.500 -0.503 0.000 2.093 1184 R HA -0.148 4.192 4.340 -0.000 0.000 0.224 1184 R C 2.253 178.312 176.300 -0.401 0.000 1.101 1184 R CA 1.130 56.677 56.100 -0.922 0.000 0.979 1184 R CB -0.105 29.632 30.300 -0.937 0.000 0.877 1184 R HN 0.353 nan 8.270 nan 0.000 0.441 1185 Q N 0.746 120.419 119.800 -0.212 0.000 2.123 1185 Q HA 0.027 4.367 4.340 -0.000 0.000 0.199 1185 Q C 1.852 177.861 176.000 0.015 0.000 0.966 1185 Q CA 1.381 57.133 55.803 -0.085 0.000 0.845 1185 Q CB -0.026 28.685 28.738 -0.044 0.000 0.907 1185 Q HN 0.423 nan 8.270 nan 0.000 0.439 1186 I N 0.723 121.317 120.570 0.039 0.000 2.423 1186 I HA -0.266 3.904 4.170 -0.000 0.000 0.254 1186 I C 1.083 177.346 176.117 0.244 0.000 1.151 1186 I CA 1.172 62.571 61.300 0.165 0.000 1.421 1186 I CB -0.211 37.834 38.000 0.075 0.000 1.079 1186 I HN 0.204 nan 8.210 nan 0.000 0.431 1187 D N 0.777 121.262 120.400 0.140 0.000 2.213 1187 D HA -0.011 4.629 4.640 -0.000 0.000 0.205 1187 D C 2.241 178.590 176.300 0.082 0.000 0.961 1187 D CA 1.193 55.290 54.000 0.162 0.000 0.853 1187 D CB 0.102 41.002 40.800 0.166 0.000 0.967 1187 D HN 0.303 nan 8.370 nan 0.000 0.496 1188 A N 1.219 124.048 122.820 0.014 0.000 1.872 1188 A HA -0.134 4.186 4.320 -0.000 0.000 0.214 1188 A C 1.843 179.506 177.584 0.132 0.000 1.187 1188 A CA 1.271 53.273 52.037 -0.059 0.000 0.614 1188 A CB -0.222 18.658 19.000 -0.200 0.000 0.826 1188 A HN -0.030 nan 8.150 nan 0.000 0.442 1189 D N -0.397 120.092 120.400 0.149 0.000 2.078 1189 D HA -0.122 4.518 4.640 -0.000 0.000 0.193 1189 D C 1.441 177.802 176.300 0.102 0.000 0.990 1189 D CA 1.175 55.258 54.000 0.139 0.000 0.827 1189 D CB -0.598 40.279 40.800 0.128 0.000 0.975 1189 D HN 0.384 nan 8.370 nan 0.000 0.451 1190 F N 0.237 120.176 119.950 -0.019 0.000 2.481 1190 F HA -0.118 4.409 4.527 -0.000 0.000 0.297 1190 F C 2.215 177.925 175.800 -0.151 0.000 1.095 1190 F CA 0.646 58.582 58.000 -0.106 0.000 1.465 1190 F CB -0.078 38.794 39.000 -0.212 0.000 1.098 1190 F HN -0.028 nan 8.300 nan 0.000 0.585 1191 M N -1.801 117.843 119.600 0.073 0.000 2.534 1191 M HA 0.064 4.544 4.480 -0.000 0.000 0.263 1191 M C 2.059 178.363 176.300 0.006 0.000 1.152 1191 M CA 0.686 56.007 55.300 0.035 0.000 1.145 1191 M CB -0.782 31.881 32.600 0.105 0.000 1.333 1191 M HN 0.222 nan 8.290 nan 0.000 0.477 1192 L N 0.839 122.084 121.223 0.036 0.000 2.131 1192 L HA -0.037 4.303 4.340 -0.000 0.000 0.206 1192 L C 1.963 178.749 176.870 -0.140 0.000 1.087 1192 L CA 1.836 56.618 54.840 -0.096 0.000 0.767 1192 L CB -0.505 41.507 42.059 -0.079 0.000 0.917 1192 L HN 0.125 nan 8.230 nan 0.000 0.441 1193 K N -1.077 119.224 120.400 -0.165 0.000 2.280 1193 K HA -0.069 4.251 4.320 -0.000 0.000 0.202 1193 K C 1.765 178.206 176.600 -0.266 0.000 1.047 1193 K CA 1.217 57.367 56.287 -0.228 0.000 0.942 1193 K CB -0.076 32.218 32.500 -0.344 0.000 0.739 1193 K HN 0.281 nan 8.250 nan 0.000 0.457 1194 V N 0.924 120.668 119.914 -0.283 0.000 2.878 1194 V HA -0.101 4.019 4.120 -0.000 0.000 0.250 1194 V C 1.970 177.917 176.094 -0.245 0.000 1.075 1194 V CA 1.179 63.237 62.300 -0.403 0.000 1.096 1194 V CB -0.174 31.416 31.823 -0.388 0.000 0.724 1194 V HN 0.260 nan 8.190 nan 0.000 0.467 1195 E N 0.547 120.648 120.200 -0.165 0.000 2.015 1195 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 1195 E C 2.258 178.805 176.600 -0.088 0.000 0.991 1195 E CA 1.393 57.724 56.400 -0.114 0.000 0.802 1195 E CB -0.155 29.471 29.700 -0.123 0.000 0.759 1195 E HN 0.479 nan 8.360 nan 0.000 0.447 1196 L N 0.629 121.794 121.223 -0.097 0.000 1.970 1196 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 1196 L C 2.726 179.588 176.870 -0.014 0.000 1.071 1196 L CA 1.224 56.029 54.840 -0.058 0.000 0.751 1196 L CB -0.785 41.227 42.059 -0.078 0.000 0.889 1196 L HN 0.138 nan 8.230 nan 0.000 0.432 1197 A N 0.467 123.261 122.820 -0.044 0.000 1.958 1197 A HA -0.272 4.048 4.320 -0.000 0.000 0.221 1197 A C 2.415 180.064 177.584 0.108 0.000 1.178 1197 A CA 2.734 54.793 52.037 0.037 0.000 0.642 1197 A CB -1.076 17.911 19.000 -0.022 0.000 0.816 1197 A HN 0.616 nan 8.150 nan 0.000 0.453 1198 T N -4.364 110.222 114.554 0.053 0.000 2.978 1198 T HA -0.044 4.306 4.350 -0.000 0.000 0.262 1198 T C 1.770 176.489 174.700 0.031 0.000 1.063 1198 T CA 1.653 63.797 62.100 0.073 0.000 1.140 1198 T CB -0.688 68.213 68.868 0.054 0.000 0.886 1198 T HN 0.311 nan 8.240 nan 0.000 0.470 1199 T N 1.120 115.689 114.554 0.026 0.000 2.708 1199 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 1199 T C 1.754 176.481 174.700 0.044 0.000 1.037 1199 T CA 1.797 63.911 62.100 0.022 0.000 1.146 1199 T CB -0.547 68.332 68.868 0.018 0.000 0.865 1199 T HN 0.680 nan 8.240 nan 0.000 0.435 1200 H N 0.701 119.763 119.070 -0.015 0.000 2.389 1200 H HA 0.096 4.652 4.556 -0.000 0.000 0.299 1200 H C 1.945 177.266 175.328 -0.011 0.000 1.081 1200 H CA 0.895 56.937 56.048 -0.010 0.000 1.345 1200 H CB -0.527 29.230 29.762 -0.007 0.000 1.393 1200 H HN 0.148 nan 8.280 nan 0.000 0.520 1201 L N 0.020 121.188 121.223 -0.093 0.000 2.265 1201 L HA -0.089 4.251 4.340 -0.000 0.000 0.215 1201 L C 2.076 178.837 176.870 -0.181 0.000 1.117 1201 L CA 1.356 56.099 54.840 -0.161 0.000 0.782 1201 L CB -0.625 41.407 42.059 -0.046 0.000 0.914 1201 L HN 0.238 nan 8.230 nan 0.000 0.441 1202 S N -1.372 114.254 115.700 -0.123 0.000 2.335 1202 S HA -0.148 4.322 4.470 -0.000 0.000 0.217 1202 S C 1.782 176.316 174.600 -0.111 0.000 1.032 1202 S CA 1.605 59.744 58.200 -0.100 0.000 0.985 1202 S CB -0.508 62.660 63.200 -0.053 0.000 0.896 1202 S HN 0.531 nan 8.310 nan 0.000 0.445 1203 T N 2.572 117.056 114.554 -0.116 0.000 2.624 1203 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 1203 T C 1.869 176.490 174.700 -0.131 0.000 1.041 1203 T CA 1.866 63.905 62.100 -0.101 0.000 1.159 1203 T CB -0.428 68.389 68.868 -0.085 0.000 0.863 1203 T HN 0.194 nan 8.240 nan 0.000 0.434 1204 M N 1.065 120.511 119.600 -0.256 0.000 2.082 1204 M HA -0.088 4.392 4.480 -0.000 0.000 0.258 1204 M C 2.184 178.420 176.300 -0.107 0.000 1.069 1204 M CA 1.447 56.622 55.300 -0.208 0.000 1.102 1204 M CB -0.778 31.638 32.600 -0.308 0.000 1.336 1204 M HN 0.098 nan 8.290 nan 0.000 0.404 1205 V N 0.278 120.102 119.914 -0.150 0.000 2.343 1205 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 1205 V C 2.412 178.527 176.094 0.034 0.000 1.051 1205 V CA 2.052 64.281 62.300 -0.120 0.000 1.036 1205 V CB -0.808 30.859 31.823 -0.260 0.000 0.654 1205 V HN 0.467 nan 8.190 nan 0.000 0.451 1206 R N 0.051 120.555 120.500 0.007 0.000 2.096 1206 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 1206 R C 2.411 178.755 176.300 0.073 0.000 1.127 1206 R CA 1.444 57.573 56.100 0.048 0.000 0.968 1206 R CB -0.590 29.723 30.300 0.021 0.000 0.861 1206 R HN 0.558 nan 8.270 nan 0.000 0.440 1207 A N 0.871 123.723 122.820 0.053 0.000 1.858 1207 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 1207 A C 2.372 180.025 177.584 0.115 0.000 1.190 1207 A CA 1.450 53.529 52.037 0.070 0.000 0.617 1207 A CB -0.627 18.399 19.000 0.044 0.000 0.827 1207 A HN 0.109 nan 8.150 nan 0.000 0.443 1208 V N 0.490 120.490 119.914 0.143 0.000 2.469 1208 V HA -0.287 3.833 4.120 -0.000 0.000 0.251 1208 V C 2.378 178.616 176.094 0.241 0.000 1.064 1208 V CA 1.954 64.380 62.300 0.209 0.000 1.066 1208 V CB -0.862 31.135 31.823 0.290 0.000 0.667 1208 V HN 0.548 nan 8.190 nan 0.000 0.461 1209 I N 0.698 121.407 120.570 0.232 0.000 2.163 1209 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 1209 I C 2.494 178.739 176.117 0.214 0.000 1.081 1209 I CA 2.171 63.598 61.300 0.211 0.000 1.353 1209 I CB -0.589 37.522 38.000 0.183 0.000 1.054 1209 I HN 0.421 nan 8.210 nan 0.000 0.407 1210 N N 1.514 120.314 118.700 0.167 0.000 2.043 1210 N HA -0.202 4.538 4.740 -0.000 0.000 0.193 1210 N C 1.853 177.457 175.510 0.158 0.000 1.037 1210 N CA 2.010 55.148 53.050 0.145 0.000 0.851 1210 N CB -0.201 38.349 38.487 0.105 0.000 1.027 1210 N HN 0.304 nan 8.380 nan 0.000 0.422 1211 A N -0.985 121.927 122.820 0.155 0.000 1.978 1211 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 1211 A C 2.223 179.910 177.584 0.172 0.000 1.170 1211 A CA 1.564 53.686 52.037 0.140 0.000 0.636 1211 A CB -1.196 17.885 19.000 0.134 0.000 0.810 1211 A HN 0.660 nan 8.150 nan 0.000 0.448 1212 Y N 0.136 120.503 120.300 0.112 0.000 2.176 1212 Y HA -0.003 4.547 4.550 -0.000 0.000 0.291 1212 Y C 1.915 177.934 175.900 0.198 0.000 1.122 1212 Y CA 1.587 59.766 58.100 0.131 0.000 1.128 1212 Y CB -0.255 38.260 38.460 0.092 0.000 1.005 1212 Y HN 0.165 nan 8.280 nan 0.000 0.509 1213 L N 0.074 121.519 121.223 0.369 0.000 2.261 1213 L HA -0.246 4.094 4.340 -0.000 0.000 0.216 1213 L C 2.041 179.088 176.870 0.296 0.000 1.114 1213 L CA 0.998 56.019 54.840 0.301 0.000 0.777 1213 L CB -0.477 41.735 42.059 0.256 0.000 0.910 1213 L HN 0.390 nan 8.230 nan 0.000 0.440 1214 L N -0.978 120.346 121.223 0.167 0.000 2.130 1214 L HA -0.020 4.320 4.340 -0.000 0.000 0.200 1214 L C 1.771 178.623 176.870 -0.030 0.000 1.075 1214 L CA 0.740 55.632 54.840 0.087 0.000 0.768 1214 L CB -0.324 41.768 42.059 0.054 0.000 0.933 1214 L HN 0.293 nan 8.230 nan 0.000 0.451 1215 N N 0.105 118.767 118.700 -0.064 0.000 2.336 1215 N HA -0.090 4.650 4.740 -0.000 0.000 0.189 1215 N C 1.648 176.997 175.510 -0.268 0.000 1.113 1215 N CA 0.336 53.291 53.050 -0.159 0.000 0.858 1215 N CB 0.092 38.526 38.487 -0.089 0.000 0.970 1215 N HN 0.558 nan 8.380 nan 0.000 0.471 1216 W N 2.520 123.584 121.300 -0.394 0.000 2.308 1216 W HA -0.165 4.495 4.660 -0.000 0.000 0.301 1216 W C 1.064 177.421 176.519 -0.271 0.000 1.220 1216 W CA 0.556 57.591 57.345 -0.516 0.000 1.240 1216 W CB -0.798 28.210 29.460 -0.752 0.000 1.142 1216 W HN -0.027 nan 8.180 nan 0.000 0.521 1217 K N 0.663 120.296 120.400 -1.279 0.000 2.032 1217 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 1217 K C 2.152 178.470 176.600 -0.470 0.000 1.048 1217 K CA 1.787 57.423 56.287 -1.084 0.000 0.927 1217 K CB -0.286 31.580 32.500 -1.055 0.000 0.712 1217 K HN -0.085 nan 8.250 nan 0.000 0.441 1218 K N 1.050 121.232 120.400 -0.363 0.000 2.211 1218 K HA -0.043 4.277 4.320 -0.000 0.000 0.203 1218 K C 2.078 178.592 176.600 -0.143 0.000 1.050 1218 K CA 0.838 57.001 56.287 -0.208 0.000 0.945 1218 K CB -0.186 32.214 32.500 -0.166 0.000 0.732 1218 K HN 0.211 nan 8.250 nan 0.000 0.451 1219 L N 0.380 121.520 121.223 -0.139 0.000 2.093 1219 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 1219 L C 2.097 178.950 176.870 -0.030 0.000 1.085 1219 L CA 0.756 55.556 54.840 -0.067 0.000 0.755 1219 L CB -0.299 41.733 42.059 -0.045 0.000 0.904 1219 L HN 0.064 nan 8.230 nan 0.000 0.435 1220 I N -1.216 119.341 120.570 -0.022 0.000 2.494 1220 I HA -0.055 4.115 4.170 -0.000 0.000 0.250 1220 I C 0.982 177.086 176.117 -0.021 0.000 1.112 1220 I CA 0.895 62.204 61.300 0.016 0.000 1.438 1220 I CB -0.437 37.610 38.000 0.078 0.000 1.111 1220 I HN 0.254 nan 8.210 nan 0.000 0.431 1221 Q N 2.069 121.829 119.800 -0.066 0.000 2.706 1221 Q HA 0.239 4.579 4.340 -0.000 0.000 0.250 1221 Q C -1.622 174.331 176.000 -0.078 0.000 1.120 1221 Q CA -1.657 54.104 55.803 -0.069 0.000 0.972 1221 Q CB 1.229 29.915 28.738 -0.087 0.000 1.173 1221 Q HN 0.264 nan 8.270 nan 0.000 0.522 1222 P HA -0.119 nan 4.420 nan 0.000 0.218 1222 P C -0.047 177.223 177.300 -0.050 0.000 1.149 1222 P CA 0.889 63.955 63.100 -0.056 0.000 0.817 1222 P CB 0.730 32.404 31.700 -0.043 0.000 0.785 1223 R N -0.405 120.068 120.500 -0.044 0.000 2.621 1223 R HA 0.428 4.768 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 -0.400 55.675 56.100 -0.042 0.000 0.887 1223 R CB 1.824 32.103 30.300 -0.035 0.000 1.180 1223 R HN -0.070 nan 8.270 nan 0.000 0.450 1224 T N -0.662 113.865 114.554 -0.044 0.000 3.053 1224 T HA 0.374 4.724 4.350 -0.000 0.000 0.363 1224 T C 0.580 175.254 174.700 -0.044 0.000 1.239 1224 T CA -0.834 61.241 62.100 -0.041 0.000 1.071 1224 T CB 1.169 70.013 68.868 -0.039 0.000 1.089 1224 T HN 0.658 nan 8.240 nan 0.000 0.527 1225 G N 1.995 110.767 108.800 -0.047 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 0.108 174.950 174.900 -0.097 0.000 1.293 1225 G CA -0.255 44.805 45.100 -0.067 0.000 0.869 1225 G HN 1.655 nan 8.290 nan 0.000 0.556 1226 S N 0.384 115.976 115.700 -0.180 0.000 2.465 1226 S HA 0.146 4.616 4.470 -0.000 0.000 0.186 1226 S C -1.432 172.792 174.600 -0.628 0.000 0.839 1226 S CA -0.956 57.000 58.200 -0.406 0.000 1.037 1226 S CB 0.812 63.863 63.200 -0.250 0.000 1.407 1226 S HN 0.401 nan 8.310 nan 0.000 0.396 1227 D N 2.801 122.918 120.400 -0.471 0.000 2.500 1227 D HA 0.337 4.977 4.640 -0.000 0.000 0.219 1227 D C 0.853 176.985 176.300 -0.280 0.000 1.137 1227 D CA -0.399 53.416 54.000 -0.309 0.000 0.946 1227 D CB 0.305 41.017 40.800 -0.146 0.000 1.022 1227 D HN 0.560 nan 8.370 nan 0.000 0.518 1228 H N 1.113 120.176 119.070 -0.012 0.000 2.582 1228 H HA 0.148 4.704 4.556 -0.000 0.000 0.269 1228 H C 1.515 176.837 175.328 -0.010 0.000 0.962 1228 H CA 0.470 56.512 56.048 -0.011 0.000 1.230 1228 H CB 0.343 30.098 29.762 -0.012 0.000 1.445 1228 H HN 0.353 nan 8.280 nan 0.000 0.528 1229 M N 0.602 120.243 119.600 0.070 0.000 2.134 1229 M HA 0.013 4.493 4.480 -0.000 0.000 0.262 1229 M C 0.768 177.078 176.300 0.016 0.000 1.076 1229 M CA 0.604 55.927 55.300 0.039 0.000 1.143 1229 M CB 0.207 32.819 32.600 0.020 0.000 1.346 1229 M HN -0.180 nan 8.290 nan 0.000 0.421 1230 V N 1.544 121.456 119.914 -0.003 0.000 2.775 1230 V HA 0.321 4.441 4.120 -0.000 0.000 0.299 1230 V C 0.253 176.346 176.094 -0.003 0.000 1.062 1230 V CA -0.291 62.005 62.300 -0.008 0.000 1.063 1230 V CB 0.724 32.535 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 -0.001 0.000 2.498 1231 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 1231 S CA 0.000 58.201 58.200 0.002 0.000 1.107 1231 S CB 0.000 63.206 63.200 0.010 0.000 0.593 1231 S HN 0.000 nan 8.310 nan 0.000 0.517