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 1foe_1_C DATA FIRST_RESID 1036 DATA SEQUENCE SDADKLRKVI CELLETERTY VKDLNCLXER YLKPLQKETF LTQDELDVLF DATA SEQUENCE GNLTEXVEFQ VEFLKTLEDG VRLVPDLEKL EKVDQFKKVL FSLGGSFLYY DATA SEQUENCE ADRFKLYSAF CASHTKVPKV LVKAKTDTAF KAFLDAQNPR QQHSSTLESY DATA SEQUENCE LIKPIQRVLK YPLLLRELFA LTDAESEEHY HLDVAIKTXN KVASHINEXQ DATA SEQUENCE KIHEEFGAVF DQLIAEQTGE KKEVADLSXG DLLLHTSVIW LNPPASLGKW DATA SEQUENCE KKEPELAAFV FKTAVVLVYK DGSKQKKKLV GSHRLSIYEE WDPFRFRHXI DATA SEQUENCE PTEALQVRAL PSADAEANAV CEIVHVKSES EGRPERVFHL CCSSPESRKD DATA SEQUENCE FLKSVHSILR DKHRRQ 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 1036 S HA 0.000 nan 4.470 nan 0.000 0.327 1036 S C 0.000 174.600 174.600 -0.000 0.000 1.055 1036 S CA 0.000 58.206 58.200 0.009 0.000 1.107 1036 S CB 0.000 63.214 63.200 0.023 0.000 0.593 1037 D N 1.204 121.600 120.400 -0.006 0.000 2.158 1037 D HA -0.116 4.524 4.640 0.000 0.000 0.197 1037 D C 2.204 178.476 176.300 -0.047 0.000 0.995 1037 D CA 1.936 55.919 54.000 -0.028 0.000 0.846 1037 D CB -0.595 40.189 40.800 -0.026 0.000 0.941 1037 D HN 0.722 nan 8.370 nan 0.000 0.456 1038 A N 1.622 124.443 122.820 0.002 0.000 1.877 1038 A HA -0.203 4.117 4.320 0.000 0.000 0.216 1038 A C 1.909 179.497 177.584 0.006 0.000 1.186 1038 A CA 1.714 53.775 52.037 0.039 0.000 0.620 1038 A CB -0.349 18.759 19.000 0.181 0.000 0.822 1038 A HN 0.083 nan 8.150 nan 0.000 0.443 1039 D N -0.112 120.306 120.400 0.030 0.000 2.084 1039 D HA -0.144 4.496 4.640 0.000 0.000 0.194 1039 D C 1.912 178.203 176.300 -0.015 0.000 0.990 1039 D CA 1.502 55.519 54.000 0.029 0.000 0.826 1039 D CB -0.351 40.467 40.800 0.028 0.000 0.971 1039 D HN 0.471 nan 8.370 nan 0.000 0.453 1040 K N 0.350 120.731 120.400 -0.032 0.000 2.044 1040 K HA -0.184 4.136 4.320 0.000 0.000 0.210 1040 K C 2.253 178.803 176.600 -0.082 0.000 1.049 1040 K CA 0.700 56.961 56.287 -0.044 0.000 0.927 1040 K CB -0.365 32.111 32.500 -0.041 0.000 0.713 1040 K HN 0.017 nan 8.250 nan 0.000 0.443 1041 L N 1.500 122.627 121.223 -0.160 0.000 2.012 1041 L HA -0.203 4.137 4.340 0.000 0.000 0.210 1041 L C 2.519 179.235 176.870 -0.257 0.000 1.073 1041 L CA 1.614 56.290 54.840 -0.273 0.000 0.748 1041 L CB -0.330 41.404 42.059 -0.542 0.000 0.891 1041 L HN 0.087 nan 8.230 nan 0.000 0.431 1042 R N -0.658 119.712 120.500 -0.217 0.000 2.105 1042 R HA -0.184 4.156 4.340 0.000 0.000 0.239 1042 R C 2.165 178.470 176.300 0.009 0.000 1.135 1042 R CA 1.327 57.414 56.100 -0.022 0.000 0.967 1042 R CB -0.050 30.325 30.300 0.125 0.000 0.861 1042 R HN 0.303 nan 8.270 nan 0.000 0.442 1043 K N 0.119 120.514 120.400 -0.009 0.000 2.009 1043 K HA -0.116 4.204 4.320 0.000 0.000 0.210 1043 K C 2.160 178.765 176.600 0.009 0.000 1.049 1043 K CA 1.519 57.810 56.287 0.007 0.000 0.929 1043 K CB -0.762 31.738 32.500 -0.001 0.000 0.714 1043 K HN 0.115 nan 8.250 nan 0.000 0.440 1044 V N 2.298 122.207 119.914 -0.007 0.000 2.287 1044 V HA -0.235 3.885 4.120 0.000 0.000 0.248 1044 V C 2.509 178.624 176.094 0.034 0.000 1.053 1044 V CA 1.673 63.978 62.300 0.009 0.000 1.027 1044 V CB -0.566 31.254 31.823 -0.005 0.000 0.646 1044 V HN 0.202 nan 8.190 nan 0.000 0.447 1045 I N -0.391 120.194 120.570 0.026 0.000 2.264 1045 I HA -0.305 3.865 4.170 0.000 0.000 0.248 1045 I C 2.532 178.692 176.117 0.072 0.000 1.111 1045 I CA 1.646 62.984 61.300 0.064 0.000 1.382 1045 I CB -0.513 37.534 38.000 0.077 0.000 1.060 1045 I HN 0.389 nan 8.210 nan 0.000 0.418 1046 C N 0.046 119.382 119.300 0.060 0.000 2.457 1046 C HA -0.111 4.349 4.460 0.000 0.000 0.278 1046 C C 2.744 177.766 174.990 0.055 0.000 1.309 1046 C CA 0.493 59.546 59.018 0.058 0.000 1.735 1046 C CB -0.865 26.907 27.740 0.052 0.000 1.992 1046 C HN 0.508 nan 8.230 nan 0.000 0.493 1047 E N 0.700 120.929 120.200 0.049 0.000 2.077 1047 E HA -0.191 4.159 4.350 0.000 0.000 0.193 1047 E C 2.180 178.822 176.600 0.069 0.000 0.989 1047 E CA 0.814 57.242 56.400 0.047 0.000 0.800 1047 E CB -0.208 29.512 29.700 0.033 0.000 0.746 1047 E HN 0.594 nan 8.360 nan 0.000 0.452 1048 L N 0.754 122.034 121.223 0.094 0.000 1.989 1048 L HA -0.238 4.102 4.340 0.000 0.000 0.211 1048 L C 2.481 179.437 176.870 0.143 0.000 1.071 1048 L CA 1.428 56.359 54.840 0.153 0.000 0.749 1048 L CB -0.312 41.862 42.059 0.191 0.000 0.890 1048 L HN 0.313 nan 8.230 nan 0.000 0.431 1049 L N -0.287 120.994 121.223 0.097 0.000 2.027 1049 L HA -0.243 4.097 4.340 0.000 0.000 0.206 1049 L C 2.579 179.489 176.870 0.066 0.000 1.074 1049 L CA 1.465 56.344 54.840 0.064 0.000 0.745 1049 L CB -0.314 41.769 42.059 0.040 0.000 0.898 1049 L HN 0.320 nan 8.230 nan 0.000 0.433 1050 E N -0.688 119.550 120.200 0.063 0.000 2.051 1050 E HA -0.228 4.123 4.350 0.000 0.000 0.192 1050 E C 2.075 178.718 176.600 0.071 0.000 0.991 1050 E CA 1.935 58.369 56.400 0.057 0.000 0.799 1050 E CB -0.210 29.518 29.700 0.046 0.000 0.748 1050 E HN 0.594 nan 8.360 nan 0.000 0.449 1051 T N -0.477 114.123 114.554 0.077 0.000 2.833 1051 T HA -0.184 4.166 4.350 0.000 0.000 0.269 1051 T C 1.878 176.664 174.700 0.143 0.000 1.054 1051 T CA 1.409 63.559 62.100 0.084 0.000 1.135 1051 T CB -0.079 68.817 68.868 0.047 0.000 0.869 1051 T HN -0.019 nan 8.240 nan 0.000 0.466 1052 E N 1.580 121.883 120.200 0.171 0.000 2.072 1052 E HA -0.051 4.299 4.350 0.000 0.000 0.191 1052 E C 2.458 179.177 176.600 0.199 0.000 0.985 1052 E CA 1.138 57.688 56.400 0.249 0.000 0.801 1052 E CB -0.246 29.590 29.700 0.228 0.000 0.750 1052 E HN 0.586 nan 8.360 nan 0.000 0.452 1053 R N -0.613 119.957 120.500 0.116 0.000 2.091 1053 R HA -0.081 4.259 4.340 0.000 0.000 0.238 1053 R C 2.436 178.788 176.300 0.088 0.000 1.136 1053 R CA 1.811 57.956 56.100 0.075 0.000 0.959 1053 R CB -0.603 29.725 30.300 0.048 0.000 0.856 1053 R HN 0.176 nan 8.270 nan 0.000 0.437 1054 T N 0.404 115.024 114.554 0.109 0.000 2.708 1054 T HA -0.203 4.147 4.350 0.000 0.000 0.266 1054 T C 1.438 176.232 174.700 0.158 0.000 1.037 1054 T CA 1.448 63.616 62.100 0.112 0.000 1.146 1054 T CB -0.450 68.479 68.868 0.102 0.000 0.865 1054 T HN 0.269 nan 8.240 nan 0.000 0.435 1055 Y N 2.217 122.555 120.300 0.063 0.000 2.128 1055 Y HA -0.186 4.364 4.550 0.000 0.000 0.284 1055 Y C 2.311 178.261 175.900 0.083 0.000 1.154 1055 Y CA 0.643 58.788 58.100 0.075 0.000 1.149 1055 Y CB -0.916 37.598 38.460 0.090 0.000 0.976 1055 Y HN -0.013 nan 8.280 nan 0.000 0.505 1056 V N 1.065 120.955 119.914 -0.039 0.000 2.287 1056 V HA -0.354 3.766 4.120 0.000 0.000 0.248 1056 V C 2.502 178.531 176.094 -0.108 0.000 1.053 1056 V CA 2.452 64.664 62.300 -0.147 0.000 1.027 1056 V CB -0.812 30.991 31.823 -0.034 0.000 0.646 1056 V HN 0.384 nan 8.190 nan 0.000 0.447 1057 K N -0.175 120.213 120.400 -0.021 0.000 2.057 1057 K HA -0.234 4.086 4.320 0.000 0.000 0.207 1057 K C 1.879 178.492 176.600 0.022 0.000 1.049 1057 K CA 1.932 58.222 56.287 0.004 0.000 0.931 1057 K CB -0.262 32.260 32.500 0.037 0.000 0.714 1057 K HN 0.489 nan 8.250 nan 0.000 0.440 1058 D N 0.802 121.241 120.400 0.064 0.000 2.117 1058 D HA -0.162 4.478 4.640 0.000 0.000 0.197 1058 D C 1.984 178.329 176.300 0.074 0.000 0.987 1058 D CA 0.795 54.911 54.000 0.195 0.000 0.829 1058 D CB -0.096 40.856 40.800 0.254 0.000 0.961 1058 D HN 0.123 nan 8.370 nan 0.000 0.460 1059 L N 1.721 122.872 121.223 -0.121 0.000 1.989 1059 L HA -0.151 4.189 4.340 0.000 0.000 0.211 1059 L C 1.968 178.762 176.870 -0.127 0.000 1.071 1059 L CA 1.490 56.211 54.840 -0.199 0.000 0.749 1059 L CB -0.974 40.845 42.059 -0.400 0.000 0.890 1059 L HN 0.016 nan 8.230 nan 0.000 0.431 1060 N N -1.433 117.205 118.700 -0.103 0.000 2.166 1060 N HA -0.220 4.520 4.740 0.000 0.000 0.186 1060 N C 2.008 177.468 175.510 -0.084 0.000 1.019 1060 N CA 1.616 54.622 53.050 -0.073 0.000 0.856 1060 N CB -0.722 37.735 38.487 -0.050 0.000 0.993 1060 N HN 0.455 nan 8.380 nan 0.000 0.426 1061 C N 1.401 120.646 119.300 -0.091 0.000 2.425 1061 C HA 0.074 4.534 4.460 0.000 0.000 0.277 1061 C C 1.785 176.601 174.990 -0.289 0.000 1.280 1061 C CA -0.303 58.625 59.018 -0.149 0.000 1.744 1061 C CB -1.129 26.558 27.740 -0.088 0.000 1.989 1061 C HN 0.296 nan 8.230 nan 0.000 0.491 1065 R N 0.340 120.768 120.500 -0.120 0.000 2.075 1065 R HA 0.003 4.343 4.340 0.000 0.000 0.232 1065 R C 1.494 177.591 176.300 -0.338 0.000 1.126 1065 R CA 1.914 57.865 56.100 -0.249 0.000 0.963 1065 R CB -0.029 30.087 30.300 -0.305 0.000 0.858 1065 R HN 0.174 nan 8.270 nan 0.000 0.435 1066 Y N -1.801 118.430 120.300 -0.114 0.000 2.678 1066 Y HA 0.242 4.792 4.550 0.000 0.000 0.274 1066 Y C 1.731 177.670 175.900 0.066 0.000 1.114 1066 Y CA -0.012 58.091 58.100 0.004 0.000 1.274 1066 Y CB -0.097 38.337 38.460 -0.044 0.000 1.438 1066 Y HN -0.158 nan 8.280 nan 0.000 0.493 1067 L N 0.408 121.653 121.223 0.036 0.000 1.976 1067 L HA -0.221 4.119 4.340 0.000 0.000 0.209 1067 L C 2.195 179.153 176.870 0.148 0.000 1.071 1067 L CA 1.756 56.446 54.840 -0.250 0.000 0.746 1067 L CB -0.612 40.833 42.059 -1.024 0.000 0.890 1067 L HN 0.154 nan 8.230 nan 0.000 0.432 1068 K N -0.057 120.454 120.400 0.184 0.000 2.020 1068 K HA -0.167 4.153 4.320 0.000 0.000 0.212 1068 K C -0.401 176.316 176.600 0.195 0.000 1.050 1068 K CA 1.796 58.239 56.287 0.260 0.000 0.929 1068 K CB -1.311 31.281 32.500 0.154 0.000 0.714 1068 K HN 0.326 nan 8.250 nan 0.000 0.443 1069 P HA -0.165 nan 4.420 nan 0.000 0.223 1069 P C 1.240 178.595 177.300 0.091 0.000 1.144 1069 P CA 1.262 64.468 63.100 0.177 0.000 0.783 1069 P CB 0.038 31.917 31.700 0.298 0.000 0.771 1070 L N -0.809 120.510 121.223 0.159 0.000 2.179 1070 L HA -0.078 4.263 4.340 0.000 0.000 0.208 1070 L C 2.937 179.814 176.870 0.012 0.000 1.096 1070 L CA 1.046 55.906 54.840 0.033 0.000 0.779 1070 L CB -0.619 41.593 42.059 0.255 0.000 0.922 1070 L HN -0.042 nan 8.230 nan 0.000 0.443 1071 Q N 0.747 120.620 119.800 0.122 0.000 2.061 1071 Q HA -0.222 4.118 4.340 0.000 0.000 0.204 1071 Q C 1.153 177.121 176.000 -0.054 0.000 0.984 1071 Q CA 1.509 57.338 55.803 0.043 0.000 0.846 1071 Q CB -0.171 28.594 28.738 0.045 0.000 0.902 1071 Q HN 0.484 nan 8.270 nan 0.000 0.421 1072 K N 0.927 121.290 120.400 -0.061 0.000 3.322 1072 K HA 0.155 4.475 4.320 0.000 0.000 0.291 1072 K C -0.346 176.123 176.600 -0.219 0.000 1.131 1072 K CA 0.165 56.388 56.287 -0.108 0.000 1.185 1072 K CB 0.287 32.747 32.500 -0.067 0.000 1.338 1072 K HN -0.075 nan 8.250 nan 0.000 0.380 1073 E N -0.602 119.431 120.200 -0.278 0.000 2.456 1073 E HA 0.296 4.646 4.350 0.000 0.000 0.276 1073 E C -0.491 175.892 176.600 -0.362 0.000 0.981 1073 E CA -0.718 55.392 56.400 -0.484 0.000 0.814 1073 E CB 1.875 31.088 29.700 -0.812 0.000 1.382 1073 E HN 0.044 nan 8.360 nan 0.000 0.459 1074 T N 0.634 114.931 114.554 -0.428 0.000 3.010 1074 T HA 0.229 4.579 4.350 0.000 0.000 0.257 1074 T C 1.137 175.815 174.700 -0.036 0.000 1.020 1074 T CA -0.175 61.815 62.100 -0.184 0.000 0.938 1074 T CB -0.155 68.644 68.868 -0.115 0.000 1.049 1074 T HN 0.356 nan 8.240 nan 0.000 0.522 1075 F N 1.514 121.388 119.950 -0.126 0.000 2.027 1075 F HA -0.047 4.480 4.527 0.000 0.000 0.297 1075 F C 1.069 176.720 175.800 -0.248 0.000 1.129 1075 F CA 0.516 58.411 58.000 -0.175 0.000 1.195 1075 F CB -0.239 38.642 39.000 -0.198 0.000 0.960 1075 F HN 0.064 nan 8.300 nan 0.000 0.485 1076 L N 0.074 121.276 121.223 -0.034 0.000 2.399 1076 L HA 0.276 4.616 4.340 0.000 0.000 0.265 1076 L C 0.635 177.468 176.870 -0.062 0.000 1.089 1076 L CA -0.846 53.930 54.840 -0.106 0.000 0.802 1076 L CB 1.370 43.364 42.059 -0.109 0.000 1.180 1076 L HN 0.101 nan 8.230 nan 0.000 0.454 1077 T N -2.259 112.259 114.554 -0.061 0.000 2.770 1077 T HA 0.062 4.412 4.350 0.000 0.000 0.281 1077 T C 0.643 175.317 174.700 -0.043 0.000 0.981 1077 T CA -0.404 61.667 62.100 -0.048 0.000 0.955 1077 T CB 1.121 69.962 68.868 -0.045 0.000 1.060 1077 T HN 0.551 nan 8.240 nan 0.000 0.531 1078 Q N 0.433 120.205 119.800 -0.046 0.000 2.084 1078 Q HA -0.088 4.252 4.340 0.000 0.000 0.202 1078 Q C 1.578 177.553 176.000 -0.041 0.000 0.978 1078 Q CA 2.216 57.988 55.803 -0.052 0.000 0.844 1078 Q CB -0.964 27.738 28.738 -0.060 0.000 0.898 1078 Q HN 0.846 nan 8.270 nan 0.000 0.426 1079 D N 0.145 120.523 120.400 -0.037 0.000 2.092 1079 D HA -0.182 4.458 4.640 0.000 0.000 0.193 1079 D C 1.695 177.984 176.300 -0.018 0.000 0.994 1079 D CA 1.699 55.681 54.000 -0.030 0.000 0.828 1079 D CB -0.152 40.628 40.800 -0.033 0.000 0.963 1079 D HN 0.462 nan 8.370 nan 0.000 0.450 1080 E N 0.161 120.346 120.200 -0.024 0.000 2.085 1080 E HA -0.161 4.189 4.350 0.000 0.000 0.194 1080 E C 2.238 178.853 176.600 0.026 0.000 0.994 1080 E CA 0.607 56.994 56.400 -0.022 0.000 0.801 1080 E CB -0.178 29.486 29.700 -0.060 0.000 0.743 1080 E HN 0.313 nan 8.360 nan 0.000 0.453 1081 L N 1.223 122.475 121.223 0.049 0.000 2.141 1081 L HA -0.182 4.158 4.340 0.000 0.000 0.209 1081 L C 1.959 178.964 176.870 0.224 0.000 1.094 1081 L CA 0.795 55.733 54.840 0.164 0.000 0.763 1081 L CB -0.335 41.794 42.059 0.116 0.000 0.908 1081 L HN 0.099 nan 8.230 nan 0.000 0.437 1082 D N -0.256 120.192 120.400 0.081 0.000 2.144 1082 D HA -0.148 4.492 4.640 0.000 0.000 0.199 1082 D C 2.316 178.671 176.300 0.091 0.000 0.984 1082 D CA 1.150 55.189 54.000 0.065 0.000 0.834 1082 D CB -0.109 40.689 40.800 -0.004 0.000 0.955 1082 D HN 0.152 nan 8.370 nan 0.000 0.465 1083 V N 1.523 121.465 119.914 0.047 0.000 2.343 1083 V HA -0.223 3.897 4.120 0.000 0.000 0.247 1083 V C 2.654 178.746 176.094 -0.004 0.000 1.051 1083 V CA 1.175 63.474 62.300 -0.002 0.000 1.036 1083 V CB -0.470 31.335 31.823 -0.029 0.000 0.654 1083 V HN 0.183 nan 8.190 nan 0.000 0.451 1084 L N -1.758 119.504 121.223 0.065 0.000 2.005 1084 L HA -0.101 4.239 4.340 0.000 0.000 0.207 1084 L C 2.399 179.314 176.870 0.075 0.000 1.072 1084 L CA 1.633 56.498 54.840 0.041 0.000 0.744 1084 L CB -0.718 41.377 42.059 0.061 0.000 0.895 1084 L HN 0.215 nan 8.230 nan 0.000 0.433 1085 F N 0.779 120.761 119.950 0.054 0.000 1.983 1085 F HA 0.012 4.539 4.527 0.000 0.000 0.295 1085 F C 1.651 177.520 175.800 0.115 0.000 1.197 1085 F CA 1.279 59.330 58.000 0.086 0.000 1.165 1085 F CB -1.325 37.709 39.000 0.055 0.000 0.970 1085 F HN 0.179 nan 8.300 nan 0.000 0.488 1086 G N 1.644 110.628 108.800 0.306 0.000 2.505 1086 G HA2 -0.295 3.665 3.960 0.000 0.000 0.191 1086 G HA3 -0.295 3.665 3.960 0.000 0.000 0.191 1086 G C 0.422 175.463 174.900 0.235 0.000 0.542 1086 G CA 0.116 45.330 45.100 0.190 0.000 0.917 1086 G HN 1.088 nan 8.290 nan 0.000 0.336 1087 N N -0.009 118.790 118.700 0.164 0.000 2.608 1087 N HA -0.307 4.433 4.740 0.000 0.000 0.246 1087 N C 1.171 176.765 175.510 0.139 0.000 1.162 1087 N CA 1.808 54.937 53.050 0.132 0.000 0.736 1087 N CB -1.102 37.445 38.487 0.101 0.000 1.078 1087 N HN 0.982 nan 8.380 nan 0.000 0.554 1088 L N 0.337 121.675 121.223 0.191 0.000 2.056 1088 L HA -0.144 4.196 4.340 0.000 0.000 0.207 1088 L C 2.673 179.599 176.870 0.093 0.000 1.078 1088 L CA 2.104 57.020 54.840 0.127 0.000 0.749 1088 L CB -0.530 41.620 42.059 0.152 0.000 0.901 1088 L HN 0.603 nan 8.230 nan 0.000 0.433 1089 T N -2.839 111.798 114.554 0.139 0.000 2.746 1089 T HA -0.234 4.116 4.350 0.000 0.000 0.267 1089 T C 1.057 175.810 174.700 0.087 0.000 1.039 1089 T CA 0.659 62.825 62.100 0.110 0.000 1.142 1089 T CB -0.336 68.604 68.868 0.120 0.000 0.866 1089 T HN 0.435 nan 8.240 nan 0.000 0.444 1093 E N 0.775 121.022 120.200 0.078 0.000 2.070 1093 E HA -0.277 4.073 4.350 0.000 0.000 0.197 1093 E C 1.946 178.613 176.600 0.112 0.000 1.004 1093 E CA 2.276 58.725 56.400 0.082 0.000 0.805 1093 E CB -0.186 29.572 29.700 0.097 0.000 0.744 1093 E HN 0.616 nan 8.360 nan 0.000 0.451 1094 F N 2.146 122.117 119.950 0.036 0.000 2.046 1094 F HA -0.260 4.267 4.527 0.000 0.000 0.297 1094 F C 2.496 178.311 175.800 0.024 0.000 1.123 1094 F CA 1.980 60.008 58.000 0.047 0.000 1.199 1094 F CB -0.582 38.447 39.000 0.049 0.000 0.972 1094 F HN -0.104 nan 8.300 nan 0.000 0.474 1095 Q N 0.595 120.130 119.800 -0.442 0.000 2.135 1095 Q HA -0.138 4.202 4.340 0.000 0.000 0.204 1095 Q C 2.128 177.984 176.000 -0.240 0.000 0.981 1095 Q CA 2.296 57.832 55.803 -0.444 0.000 0.856 1095 Q CB -0.689 28.012 28.738 -0.062 0.000 0.902 1095 Q HN 0.411 nan 8.270 nan 0.000 0.425 1096 V N 0.368 120.195 119.914 -0.146 0.000 2.332 1096 V HA -0.243 3.877 4.120 0.000 0.000 0.248 1096 V C 2.153 178.166 176.094 -0.136 0.000 1.055 1096 V CA 2.084 64.322 62.300 -0.102 0.000 1.038 1096 V CB -0.591 31.199 31.823 -0.055 0.000 0.651 1096 V HN 0.331 nan 8.190 nan 0.000 0.450 1097 E N -0.256 119.857 120.200 -0.144 0.000 2.072 1097 E HA -0.193 4.157 4.350 0.000 0.000 0.191 1097 E C 1.858 178.275 176.600 -0.305 0.000 0.985 1097 E CA 1.247 57.573 56.400 -0.123 0.000 0.801 1097 E CB -0.446 29.273 29.700 0.032 0.000 0.750 1097 E HN 0.544 nan 8.360 nan 0.000 0.452 1098 F N 0.489 119.959 119.950 -0.800 0.000 2.126 1098 F HA -0.195 4.332 4.527 0.000 0.000 0.299 1098 F C 1.945 177.412 175.800 -0.554 0.000 1.096 1098 F CA 1.203 58.536 58.000 -1.111 0.000 1.255 1098 F CB -0.533 37.699 39.000 -1.280 0.000 0.997 1098 F HN 0.165 nan 8.300 nan 0.000 0.479 1099 L N 1.133 122.100 121.223 -0.427 0.000 2.012 1099 L HA -0.203 4.137 4.340 0.000 0.000 0.210 1099 L C 2.274 178.956 176.870 -0.313 0.000 1.073 1099 L CA 1.952 56.582 54.840 -0.351 0.000 0.748 1099 L CB -1.103 40.876 42.059 -0.134 0.000 0.891 1099 L HN 0.117 nan 8.230 nan 0.000 0.431 1100 K N -0.833 119.427 120.400 -0.232 0.000 2.074 1100 K HA -0.213 4.107 4.320 0.000 0.000 0.209 1100 K C 1.968 178.458 176.600 -0.184 0.000 1.048 1100 K CA 2.165 58.355 56.287 -0.162 0.000 0.926 1100 K CB -0.743 31.692 32.500 -0.109 0.000 0.713 1100 K HN 0.679 nan 8.250 nan 0.000 0.444 1101 T N 0.202 114.606 114.554 -0.250 0.000 2.759 1101 T HA -0.129 4.221 4.350 0.000 0.000 0.269 1101 T C 1.969 176.517 174.700 -0.254 0.000 1.042 1101 T CA 1.045 63.018 62.100 -0.211 0.000 1.140 1101 T CB -0.403 68.347 68.868 -0.197 0.000 0.864 1101 T HN 0.097 nan 8.240 nan 0.000 0.455 1102 L N 0.354 121.331 121.223 -0.409 0.000 2.027 1102 L HA -0.009 4.331 4.340 0.000 0.000 0.206 1102 L C 3.291 180.061 176.870 -0.166 0.000 1.074 1102 L CA 1.324 55.963 54.840 -0.335 0.000 0.745 1102 L CB -0.540 41.246 42.059 -0.455 0.000 0.898 1102 L HN 0.205 nan 8.230 nan 0.000 0.433 1103 E N 0.448 120.557 120.200 -0.151 0.000 2.058 1103 E HA -0.230 4.120 4.350 0.000 0.000 0.194 1103 E C 1.797 178.365 176.600 -0.053 0.000 0.997 1103 E CA 1.431 57.783 56.400 -0.080 0.000 0.801 1103 E CB -0.361 29.295 29.700 -0.073 0.000 0.746 1103 E HN 0.498 nan 8.360 nan 0.000 0.450 1104 D N 0.059 120.423 120.400 -0.061 0.000 2.092 1104 D HA -0.126 4.514 4.640 0.000 0.000 0.193 1104 D C 2.025 178.320 176.300 -0.008 0.000 0.994 1104 D CA 1.513 55.494 54.000 -0.031 0.000 0.828 1104 D CB -0.636 40.145 40.800 -0.031 0.000 0.963 1104 D HN 0.303 nan 8.370 nan 0.000 0.450 1105 G N 0.884 109.675 108.800 -0.015 0.000 2.469 1105 G HA2 -0.240 3.720 3.960 0.000 0.000 0.220 1105 G HA3 -0.240 3.720 3.960 0.000 0.000 0.220 1105 G C 1.707 176.634 174.900 0.046 0.000 1.136 1105 G CA 0.716 45.832 45.100 0.027 0.000 0.759 1105 G HN 0.304 nan 8.290 nan 0.000 0.562 1106 V N 0.307 120.237 119.914 0.027 0.000 3.041 1106 V HA 0.115 4.235 4.120 0.000 0.000 0.260 1106 V C 2.442 178.560 176.094 0.040 0.000 1.105 1106 V CA 0.973 63.303 62.300 0.050 0.000 1.125 1106 V CB -0.332 31.516 31.823 0.043 0.000 0.730 1106 V HN 0.372 nan 8.190 nan 0.000 0.479 1107 R N -0.548 119.966 120.500 0.022 0.000 2.310 1107 R HA 0.219 4.559 4.340 0.000 0.000 0.202 1107 R C 1.650 177.960 176.300 0.016 0.000 0.933 1107 R CA 0.145 56.254 56.100 0.014 0.000 1.054 1107 R CB -0.075 30.227 30.300 0.004 0.000 0.985 1107 R HN 0.428 nan 8.270 nan 0.000 0.489 1108 L N 0.818 122.058 121.223 0.029 0.000 2.642 1108 L HA -0.012 4.328 4.340 0.000 0.000 0.236 1108 L C 0.107 176.984 176.870 0.012 0.000 1.169 1108 L CA 0.572 55.430 54.840 0.029 0.000 0.851 1108 L CB -0.059 42.034 42.059 0.055 0.000 0.968 1108 L HN -0.094 nan 8.230 nan 0.000 0.453 1109 V N -1.054 118.862 119.914 0.002 0.000 2.888 1109 V HA 0.231 4.351 4.120 0.000 0.000 0.309 1109 V C -1.267 174.812 176.094 -0.024 0.000 1.114 1109 V CA -1.020 61.265 62.300 -0.026 0.000 0.940 1109 V CB 2.185 33.972 31.823 -0.060 0.000 1.021 1109 V HN -0.140 nan 8.190 nan 0.000 0.426 1110 P HA -0.114 nan 4.420 nan 0.000 0.213 1110 P C -0.032 177.255 177.300 -0.021 0.000 1.170 1110 P CA 1.494 64.580 63.100 -0.024 0.000 0.902 1110 P CB 0.492 32.175 31.700 -0.028 0.000 0.789 1111 D N -2.207 118.172 120.400 -0.035 0.000 2.613 1111 D HA 0.206 4.846 4.640 0.000 0.000 0.230 1111 D C 1.080 177.354 176.300 -0.045 0.000 1.365 1111 D CA -0.381 53.605 54.000 -0.024 0.000 0.976 1111 D CB 0.721 41.512 40.800 -0.015 0.000 1.415 1111 D HN -0.243 nan 8.370 nan 0.000 0.589 1112 L N 2.321 123.537 121.223 -0.012 0.000 2.042 1112 L HA -0.119 4.221 4.340 0.000 0.000 0.210 1112 L C 1.651 178.541 176.870 0.034 0.000 1.076 1112 L CA 1.061 55.903 54.840 0.002 0.000 0.749 1112 L CB -0.261 41.901 42.059 0.172 0.000 0.893 1112 L HN 0.473 nan 8.230 nan 0.000 0.432 1113 E N 0.565 120.795 120.200 0.051 0.000 2.333 1113 E HA -0.235 4.115 4.350 0.000 0.000 0.200 1113 E C 1.939 178.556 176.600 0.029 0.000 1.010 1113 E CA 1.233 57.666 56.400 0.055 0.000 0.841 1113 E CB -0.221 29.503 29.700 0.040 0.000 0.757 1113 E HN 0.589 nan 8.360 nan 0.000 0.508 1114 K N -0.309 120.084 120.400 -0.012 0.000 2.323 1114 K HA 0.054 4.374 4.320 0.000 0.000 0.197 1114 K C 0.095 176.667 176.600 -0.047 0.000 1.043 1114 K CA -0.085 56.187 56.287 -0.025 0.000 0.997 1114 K CB 0.078 32.555 32.500 -0.038 0.000 0.807 1114 K HN -0.062 nan 8.250 nan 0.000 0.497 1115 L N 2.906 124.061 121.223 -0.114 0.000 2.490 1115 L HA 0.021 4.361 4.340 0.000 0.000 0.274 1115 L C 0.955 177.835 176.870 0.016 0.000 1.201 1115 L CA 0.846 55.579 54.840 -0.179 0.000 0.869 1115 L CB 0.602 42.255 42.059 -0.678 0.000 1.123 1115 L HN 0.222 nan 8.230 nan 0.000 0.484 1116 E N 1.558 121.780 120.200 0.036 0.000 2.490 1116 E HA 0.142 4.492 4.350 0.000 0.000 0.209 1116 E C -0.216 176.462 176.600 0.129 0.000 0.971 1116 E CA 0.077 56.529 56.400 0.086 0.000 0.988 1116 E CB 0.624 30.350 29.700 0.044 0.000 1.029 1116 E HN 0.496 nan 8.360 nan 0.000 0.496 1117 K N 1.069 121.560 120.400 0.151 0.000 2.316 1117 K HA 0.175 4.495 4.320 0.000 0.000 0.251 1117 K C 1.052 177.853 176.600 0.335 0.000 0.934 1117 K CA -0.261 56.128 56.287 0.171 0.000 0.802 1117 K CB 2.706 35.263 32.500 0.096 0.000 1.171 1117 K HN -0.150 nan 8.250 nan 0.000 0.426 1118 V N -1.599 118.471 119.914 0.259 0.000 2.392 1118 V HA -0.262 3.858 4.120 0.000 0.000 0.249 1118 V C 1.684 177.999 176.094 0.369 0.000 1.059 1118 V CA 1.996 64.454 62.300 0.262 0.000 1.051 1118 V CB -0.350 31.499 31.823 0.042 0.000 0.658 1118 V HN 0.909 nan 8.190 nan 0.000 0.455 1119 D N 0.480 121.008 120.400 0.213 0.000 2.265 1119 D HA -0.238 4.402 4.640 0.000 0.000 0.208 1119 D C 2.103 178.496 176.300 0.155 0.000 0.977 1119 D CA 1.699 55.791 54.000 0.153 0.000 0.871 1119 D CB -0.112 40.740 40.800 0.087 0.000 0.925 1119 D HN 0.737 nan 8.370 nan 0.000 0.485 1120 Q N -1.218 118.675 119.800 0.155 0.000 2.444 1120 Q HA -0.020 4.320 4.340 0.000 0.000 0.206 1120 Q C 0.860 176.796 176.000 -0.107 0.000 0.948 1120 Q CA 0.205 55.996 55.803 -0.021 0.000 0.946 1120 Q CB 0.102 28.750 28.738 -0.150 0.000 1.027 1120 Q HN 0.336 nan 8.270 nan 0.000 0.513 1121 F N 0.211 120.191 119.950 0.051 0.000 2.695 1121 F HA 0.176 4.703 4.527 0.000 0.000 0.303 1121 F C 1.543 177.397 175.800 0.090 0.000 1.091 1121 F CA -0.205 57.834 58.000 0.066 0.000 1.300 1121 F CB 0.224 39.266 39.000 0.069 0.000 1.071 1121 F HN -0.112 nan 8.300 nan 0.000 0.578 1122 K N 1.128 121.675 120.400 0.244 0.000 2.066 1122 K HA -0.323 3.997 4.320 0.000 0.000 0.221 1122 K C 1.908 178.643 176.600 0.225 0.000 1.056 1122 K CA 2.312 58.725 56.287 0.210 0.000 0.950 1122 K CB -0.321 32.258 32.500 0.132 0.000 0.726 1122 K HN 0.260 nan 8.250 nan 0.000 0.456 1123 K N 0.436 120.925 120.400 0.149 0.000 2.044 1123 K HA -0.177 4.143 4.320 0.000 0.000 0.210 1123 K C 2.187 178.918 176.600 0.219 0.000 1.049 1123 K CA 1.897 58.269 56.287 0.142 0.000 0.927 1123 K CB -0.301 32.241 32.500 0.071 0.000 0.713 1123 K HN 0.001 nan 8.250 nan 0.000 0.443 1124 V N 1.927 121.964 119.914 0.206 0.000 2.307 1124 V HA -0.221 3.900 4.120 0.000 0.000 0.245 1124 V C 2.307 178.544 176.094 0.238 0.000 1.045 1124 V CA 1.517 63.943 62.300 0.210 0.000 1.024 1124 V CB -0.488 31.470 31.823 0.225 0.000 0.651 1124 V HN 0.276 nan 8.190 nan 0.000 0.449 1125 L N -1.115 120.270 121.223 0.270 0.000 2.013 1125 L HA -0.237 4.103 4.340 0.000 0.000 0.212 1125 L C 2.422 179.451 176.870 0.265 0.000 1.073 1125 L CA 2.096 57.084 54.840 0.246 0.000 0.753 1125 L CB -0.699 41.506 42.059 0.243 0.000 0.890 1125 L HN 0.336 nan 8.230 nan 0.000 0.432 1126 F N 0.354 120.409 119.950 0.175 0.000 2.069 1126 F HA -0.318 4.209 4.527 0.000 0.000 0.298 1126 F C 2.968 178.841 175.800 0.121 0.000 1.113 1126 F CA 2.042 60.141 58.000 0.165 0.000 1.214 1126 F CB -0.348 38.747 39.000 0.159 0.000 0.978 1126 F HN -0.025 nan 8.300 nan 0.000 0.474 1127 S N 0.183 116.075 115.700 0.319 0.000 2.368 1127 S HA -0.174 4.296 4.470 0.000 0.000 0.225 1127 S C 2.142 176.794 174.600 0.088 0.000 1.030 1127 S CA 1.570 59.886 58.200 0.193 0.000 0.999 1127 S CB -0.579 62.735 63.200 0.190 0.000 0.844 1127 S HN 0.408 nan 8.310 nan 0.000 0.459 1128 L N 0.754 122.039 121.223 0.104 0.000 1.970 1128 L HA -0.042 4.298 4.340 0.000 0.000 0.212 1128 L C 2.910 179.879 176.870 0.166 0.000 1.071 1128 L CA 1.401 56.295 54.840 0.090 0.000 0.751 1128 L CB -1.326 40.831 42.059 0.164 0.000 0.889 1128 L HN 0.483 nan 8.230 nan 0.000 0.432 1129 G N -0.275 108.633 108.800 0.179 0.000 2.469 1129 G HA2 -0.253 3.707 3.960 0.000 0.000 0.219 1129 G HA3 -0.253 3.707 3.960 0.000 0.000 0.219 1129 G C 1.562 176.511 174.900 0.082 0.000 1.150 1129 G CA 0.911 46.122 45.100 0.184 0.000 0.763 1129 G HN 0.519 nan 8.290 nan 0.000 0.561 1130 G N 0.702 109.451 108.800 -0.085 0.000 2.491 1130 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 1130 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 1130 G C 2.137 177.097 174.900 0.100 0.000 1.180 1130 G CA 1.529 46.551 45.100 -0.129 0.000 0.774 1130 G HN 0.427 nan 8.290 nan 0.000 0.562 1131 S N 0.741 116.536 115.700 0.159 0.000 2.380 1131 S HA -0.142 4.328 4.470 0.000 0.000 0.229 1131 S C 1.998 176.816 174.600 0.364 0.000 1.043 1131 S CA 1.505 59.847 58.200 0.238 0.000 1.038 1131 S CB -0.428 62.642 63.200 -0.218 0.000 0.872 1131 S HN 0.400 nan 8.310 nan 0.000 0.456 1132 F N 1.373 121.544 119.950 0.367 0.000 2.146 1132 F HA 0.004 4.531 4.527 0.000 0.000 0.298 1132 F C 2.104 178.025 175.800 0.202 0.000 1.096 1132 F CA 0.720 58.912 58.000 0.319 0.000 1.275 1132 F CB -0.541 38.536 39.000 0.128 0.000 1.008 1132 F HN 0.113 nan 8.300 nan 0.000 0.480 1133 L N -1.372 119.972 121.223 0.202 0.000 2.017 1133 L HA -0.263 4.077 4.340 0.000 0.000 0.208 1133 L C 2.334 179.192 176.870 -0.019 0.000 1.073 1133 L CA 1.635 56.473 54.840 -0.004 0.000 0.745 1133 L CB -1.039 40.892 42.059 -0.214 0.000 0.894 1133 L HN 0.172 nan 8.230 nan 0.000 0.432 1134 Y N -1.325 118.995 120.300 0.034 0.000 2.145 1134 Y HA -0.271 4.279 4.550 0.000 0.000 0.286 1134 Y C 2.279 178.032 175.900 -0.245 0.000 1.145 1134 Y CA 1.451 59.471 58.100 -0.134 0.000 1.148 1134 Y CB -0.248 38.082 38.460 -0.216 0.000 0.981 1134 Y HN 0.052 nan 8.280 nan 0.000 0.507 1135 Y N -1.489 118.937 120.300 0.209 0.000 2.511 1135 Y HA 0.144 4.694 4.550 0.000 0.000 0.279 1135 Y C 2.197 178.104 175.900 0.012 0.000 1.157 1135 Y CA 0.074 58.198 58.100 0.040 0.000 1.300 1135 Y CB -0.594 37.777 38.460 -0.147 0.000 1.052 1135 Y HN 0.083 nan 8.280 nan 0.000 0.529 1136 A N 0.333 123.331 122.820 0.296 0.000 1.985 1136 A HA -0.324 3.996 4.320 0.000 0.000 0.223 1136 A C 2.165 179.871 177.584 0.203 0.000 1.189 1136 A CA 2.475 54.709 52.037 0.328 0.000 0.658 1136 A CB -0.665 18.443 19.000 0.181 0.000 0.820 1136 A HN 0.477 nan 8.150 nan 0.000 0.464 1137 D N -1.319 119.123 120.400 0.071 0.000 2.162 1137 D HA -0.054 4.586 4.640 0.000 0.000 0.203 1137 D C 2.141 178.415 176.300 -0.043 0.000 0.967 1137 D CA 0.668 54.672 54.000 0.006 0.000 0.840 1137 D CB -0.098 40.682 40.800 -0.034 0.000 0.972 1137 D HN 0.456 nan 8.370 nan 0.000 0.482 1138 R N -0.607 119.805 120.500 -0.146 0.000 2.189 1138 R HA -0.021 4.319 4.340 0.000 0.000 0.218 1138 R C 2.207 178.214 176.300 -0.488 0.000 1.074 1138 R CA 0.263 56.119 56.100 -0.407 0.000 0.991 1138 R CB -0.226 29.708 30.300 -0.611 0.000 0.883 1138 R HN 0.265 nan 8.270 nan 0.000 0.457 1139 F N 1.316 121.173 119.950 -0.155 0.000 2.408 1139 F HA -0.138 4.389 4.527 0.000 0.000 0.300 1139 F C 1.910 177.774 175.800 0.108 0.000 1.090 1139 F CA 0.594 58.597 58.000 0.004 0.000 1.427 1139 F CB 0.216 39.218 39.000 0.003 0.000 1.070 1139 F HN -0.155 nan 8.300 nan 0.000 0.549 1140 K N 0.469 121.015 120.400 0.244 0.000 2.439 1140 K HA -0.025 4.295 4.320 0.000 0.000 0.197 1140 K C 1.757 178.509 176.600 0.253 0.000 1.041 1140 K CA 0.608 57.063 56.287 0.279 0.000 0.970 1140 K CB -0.533 32.094 32.500 0.212 0.000 0.773 1140 K HN 0.398 nan 8.250 nan 0.000 0.479 1141 L N -0.263 121.065 121.223 0.176 0.000 2.353 1141 L HA -0.144 4.196 4.340 0.000 0.000 0.220 1141 L C 1.828 178.816 176.870 0.196 0.000 1.133 1141 L CA 0.811 55.722 54.840 0.117 0.000 0.798 1141 L CB -0.576 41.459 42.059 -0.040 0.000 0.922 1141 L HN 0.045 nan 8.230 nan 0.000 0.445 1142 Y N 0.422 120.815 120.300 0.155 0.000 2.274 1142 Y HA -0.249 4.301 4.550 0.000 0.000 0.290 1142 Y C 3.033 179.049 175.900 0.193 0.000 1.145 1142 Y CA 1.359 59.581 58.100 0.203 0.000 1.203 1142 Y CB -0.612 37.969 38.460 0.202 0.000 0.984 1142 Y HN 0.301 nan 8.280 nan 0.000 0.533 1143 S N -0.520 115.347 115.700 0.279 0.000 2.440 1143 S HA -0.214 4.256 4.470 0.000 0.000 0.238 1143 S C 2.175 176.841 174.600 0.108 0.000 1.010 1143 S CA 0.777 59.069 58.200 0.155 0.000 0.972 1143 S CB -0.686 62.563 63.200 0.081 0.000 0.774 1143 S HN 0.365 nan 8.310 nan 0.000 0.501 1144 A N 1.436 124.335 122.820 0.131 0.000 1.854 1144 A HA 0.138 4.458 4.320 0.000 0.000 0.214 1144 A C 1.889 179.517 177.584 0.074 0.000 1.192 1144 A CA 1.189 53.273 52.037 0.079 0.000 0.611 1144 A CB -1.142 17.914 19.000 0.092 0.000 0.832 1144 A HN 0.517 nan 8.150 nan 0.000 0.442 1145 F N 0.828 120.775 119.950 -0.005 0.000 2.046 1145 F HA -0.277 4.250 4.527 0.000 0.000 0.297 1145 F C 2.553 178.381 175.800 0.047 0.000 1.123 1145 F CA 1.857 59.862 58.000 0.010 0.000 1.199 1145 F CB -0.726 38.252 39.000 -0.036 0.000 0.972 1145 F HN 0.320 nan 8.300 nan 0.000 0.474 1146 C N 0.502 119.922 119.300 0.200 0.000 2.403 1146 C HA -0.204 4.256 4.460 0.000 0.000 0.279 1146 C C 3.109 178.080 174.990 -0.032 0.000 1.269 1146 C CA 1.084 60.154 59.018 0.086 0.000 1.774 1146 C CB -2.075 25.736 27.740 0.119 0.000 1.993 1146 C HN 0.637 nan 8.230 nan 0.000 0.496 1147 A N 1.165 123.903 122.820 -0.137 0.000 1.897 1147 A HA -0.104 4.216 4.320 0.000 0.000 0.215 1147 A C 2.290 179.682 177.584 -0.321 0.000 1.181 1147 A CA 2.059 53.841 52.037 -0.424 0.000 0.620 1147 A CB -0.753 17.803 19.000 -0.740 0.000 0.821 1147 A HN 0.689 nan 8.150 nan 0.000 0.443 1148 S N -1.178 114.381 115.700 -0.236 0.000 2.436 1148 S HA -0.174 4.296 4.470 0.000 0.000 0.228 1148 S C 1.701 176.199 174.600 -0.170 0.000 1.014 1148 S CA 1.235 59.329 58.200 -0.177 0.000 0.950 1148 S CB -0.814 62.278 63.200 -0.180 0.000 0.784 1148 S HN 0.736 nan 8.310 nan 0.000 0.504 1149 H N 1.544 120.408 119.070 -0.343 0.000 2.518 1149 H HA -0.016 4.540 4.556 0.000 0.000 0.292 1149 H C 1.720 176.979 175.328 -0.116 0.000 1.068 1149 H CA 1.742 57.615 56.048 -0.291 0.000 1.275 1149 H CB -0.430 29.153 29.762 -0.299 0.000 1.375 1149 H HN 0.404 nan 8.280 nan 0.000 0.563 1150 T N -0.096 114.499 114.554 0.068 0.000 2.833 1150 T HA -0.115 4.235 4.350 0.000 0.000 0.269 1150 T C 1.669 176.380 174.700 0.019 0.000 1.054 1150 T CA 1.548 63.699 62.100 0.086 0.000 1.135 1150 T CB -0.018 68.939 68.868 0.150 0.000 0.869 1150 T HN 0.277 nan 8.240 nan 0.000 0.466 1151 K N 0.548 120.934 120.400 -0.023 0.000 2.361 1151 K HA 0.214 4.534 4.320 0.000 0.000 0.196 1151 K C 1.986 178.532 176.600 -0.090 0.000 1.039 1151 K CA 0.042 56.303 56.287 -0.044 0.000 1.001 1151 K CB -0.390 32.089 32.500 -0.036 0.000 0.795 1151 K HN 0.114 nan 8.250 nan 0.000 0.495 1152 V N 1.803 121.609 119.914 -0.180 0.000 2.250 1152 V HA -0.249 3.871 4.120 0.000 0.000 0.250 1152 V C -0.918 175.095 176.094 -0.135 0.000 1.060 1152 V CA 2.080 64.238 62.300 -0.237 0.000 1.030 1152 V CB -1.049 30.441 31.823 -0.555 0.000 0.643 1152 V HN 0.202 nan 8.190 nan 0.000 0.445 1153 P HA -0.233 nan 4.420 nan 0.000 0.214 1153 P C 1.774 179.064 177.300 -0.016 0.000 1.169 1153 P CA 1.788 64.865 63.100 -0.038 0.000 0.908 1153 P CB -0.118 31.576 31.700 -0.010 0.000 0.791 1154 K N -0.188 120.201 120.400 -0.020 0.000 2.113 1154 K HA -0.157 4.163 4.320 0.000 0.000 0.208 1154 K C 1.745 178.340 176.600 -0.008 0.000 1.047 1154 K CA 1.565 57.844 56.287 -0.013 0.000 0.928 1154 K CB -0.526 31.961 32.500 -0.021 0.000 0.716 1154 K HN -0.061 nan 8.250 nan 0.000 0.446 1155 V N 1.473 121.378 119.914 -0.015 0.000 2.323 1155 V HA -0.212 3.908 4.120 0.000 0.000 0.244 1155 V C 2.272 178.399 176.094 0.056 0.000 1.041 1155 V CA 1.452 63.747 62.300 -0.008 0.000 1.025 1155 V CB -0.325 31.485 31.823 -0.022 0.000 0.656 1155 V HN 0.324 nan 8.190 nan 0.000 0.451 1156 L N 0.005 121.276 121.223 0.080 0.000 2.191 1156 L HA -0.087 4.253 4.340 0.000 0.000 0.212 1156 L C 1.967 178.929 176.870 0.152 0.000 1.103 1156 L CA 0.814 55.753 54.840 0.166 0.000 0.769 1156 L CB -0.471 41.637 42.059 0.081 0.000 0.908 1156 L HN 0.227 nan 8.230 nan 0.000 0.438 1157 V N 0.108 120.072 119.914 0.082 0.000 3.611 1157 V HA -0.139 3.981 4.120 0.000 0.000 0.281 1157 V C 1.999 178.139 176.094 0.076 0.000 1.247 1157 V CA 0.961 63.300 62.300 0.064 0.000 1.198 1157 V CB -0.709 31.133 31.823 0.031 0.000 0.977 1157 V HN 0.388 nan 8.190 nan 0.000 0.445 1158 K N 0.597 121.072 120.400 0.126 0.000 2.352 1158 K HA 0.163 4.483 4.320 0.000 0.000 0.194 1158 K C 2.108 178.843 176.600 0.225 0.000 1.038 1158 K CA 0.828 57.178 56.287 0.106 0.000 1.023 1158 K CB 0.088 32.591 32.500 0.005 0.000 0.840 1158 K HN 0.419 nan 8.250 nan 0.000 0.519 1159 A N 1.736 124.770 122.820 0.357 0.000 1.930 1159 A HA -0.100 4.220 4.320 0.000 0.000 0.217 1159 A C 1.706 179.337 177.584 0.078 0.000 1.175 1159 A CA 1.113 53.301 52.037 0.252 0.000 0.627 1159 A CB -0.216 18.745 19.000 -0.065 0.000 0.815 1159 A HN 0.123 nan 8.150 nan 0.000 0.443 1160 K N -0.304 120.134 120.400 0.063 0.000 2.360 1160 K HA -0.076 4.244 4.320 0.000 0.000 0.201 1160 K C 1.577 178.193 176.600 0.027 0.000 1.046 1160 K CA 1.623 57.927 56.287 0.029 0.000 0.945 1160 K CB -0.416 32.100 32.500 0.027 0.000 0.750 1160 K HN 0.565 nan 8.250 nan 0.000 0.464 1161 T N 0.566 115.145 114.554 0.042 0.000 3.031 1161 T HA 0.010 4.360 4.350 0.000 0.000 0.236 1161 T C 0.247 174.960 174.700 0.021 0.000 1.005 1161 T CA 0.187 62.302 62.100 0.026 0.000 1.230 1161 T CB 0.070 68.951 68.868 0.021 0.000 0.913 1161 T HN 0.085 nan 8.240 nan 0.000 0.419 1162 D N 3.173 123.592 120.400 0.031 0.000 2.359 1162 D HA 0.124 4.764 4.640 0.000 0.000 0.250 1162 D C 1.372 177.662 176.300 -0.018 0.000 1.264 1162 D CA 0.151 54.152 54.000 0.003 0.000 0.911 1162 D CB 1.355 42.139 40.800 -0.026 0.000 1.056 1162 D HN 0.460 nan 8.370 nan 0.000 0.499 1163 T N 0.051 114.595 114.554 -0.017 0.000 2.721 1163 T HA -0.281 4.069 4.350 0.000 0.000 0.268 1163 T C 1.919 176.588 174.700 -0.051 0.000 1.038 1163 T CA 1.235 63.321 62.100 -0.023 0.000 1.145 1163 T CB -0.009 68.858 68.868 -0.003 0.000 0.858 1163 T HN 0.340 nan 8.240 nan 0.000 0.459 1164 A N 1.273 124.053 122.820 -0.067 0.000 1.865 1164 A HA 0.054 4.374 4.320 0.000 0.000 0.217 1164 A C 2.073 179.396 177.584 -0.435 0.000 1.191 1164 A CA 1.732 53.712 52.037 -0.096 0.000 0.623 1164 A CB -1.226 17.790 19.000 0.025 0.000 0.826 1164 A HN 0.508 nan 8.150 nan 0.000 0.444 1165 F N 1.136 120.504 119.950 -0.970 0.000 2.051 1165 F HA -0.161 4.366 4.527 0.000 0.000 0.296 1165 F C 2.168 177.791 175.800 -0.296 0.000 1.122 1165 F CA 2.320 59.661 58.000 -1.098 0.000 1.201 1165 F CB -0.604 37.982 39.000 -0.690 0.000 0.978 1165 F HN 0.217 nan 8.300 nan 0.000 0.472 1166 K N 1.048 121.263 120.400 -0.309 0.000 2.089 1166 K HA -0.212 4.108 4.320 0.000 0.000 0.210 1166 K C 2.033 178.528 176.600 -0.175 0.000 1.048 1166 K CA 1.833 57.955 56.287 -0.275 0.000 0.926 1166 K CB -1.068 31.358 32.500 -0.124 0.000 0.714 1166 K HN 0.335 nan 8.250 nan 0.000 0.448 1167 A N 0.045 122.814 122.820 -0.086 0.000 1.865 1167 A HA -0.130 4.190 4.320 0.000 0.000 0.217 1167 A C 2.200 179.820 177.584 0.060 0.000 1.191 1167 A CA 1.659 53.700 52.037 0.007 0.000 0.623 1167 A CB -1.047 17.994 19.000 0.069 0.000 0.826 1167 A HN 0.485 nan 8.150 nan 0.000 0.444 1168 F N 0.801 120.763 119.950 0.020 0.000 2.065 1168 F HA -0.212 4.315 4.527 0.000 0.000 0.298 1168 F C 1.985 177.789 175.800 0.007 0.000 1.112 1168 F CA 1.908 59.993 58.000 0.142 0.000 1.212 1168 F CB -0.490 38.832 39.000 0.538 0.000 0.975 1168 F HN 0.157 nan 8.300 nan 0.000 0.476 1169 L N -0.046 121.065 121.223 -0.186 0.000 2.012 1169 L HA -0.277 4.063 4.340 0.000 0.000 0.210 1169 L C 2.334 179.091 176.870 -0.189 0.000 1.073 1169 L CA 1.796 56.504 54.840 -0.221 0.000 0.748 1169 L CB -1.019 40.906 42.059 -0.222 0.000 0.891 1169 L HN 0.164 nan 8.230 nan 0.000 0.431 1170 D N 0.258 120.572 120.400 -0.144 0.000 2.123 1170 D HA -0.184 4.456 4.640 0.000 0.000 0.196 1170 D C 2.210 178.430 176.300 -0.133 0.000 0.992 1170 D CA 1.576 55.517 54.000 -0.098 0.000 0.833 1170 D CB -0.032 40.729 40.800 -0.066 0.000 0.954 1170 D HN 0.355 nan 8.370 nan 0.000 0.455 1171 A N 1.213 123.930 122.820 -0.172 0.000 1.940 1171 A HA -0.210 4.110 4.320 0.000 0.000 0.219 1171 A C 2.066 179.485 177.584 -0.276 0.000 1.176 1171 A CA 1.362 53.290 52.037 -0.181 0.000 0.631 1171 A CB -0.335 18.575 19.000 -0.151 0.000 0.814 1171 A HN 0.101 nan 8.150 nan 0.000 0.446 1172 Q N -0.535 118.989 119.800 -0.461 0.000 2.378 1172 Q HA -0.006 4.334 4.340 0.000 0.000 0.205 1172 Q C 0.506 176.283 176.000 -0.370 0.000 0.954 1172 Q CA 0.616 56.071 55.803 -0.580 0.000 0.901 1172 Q CB -0.475 27.596 28.738 -1.112 0.000 0.981 1172 Q HN 0.838 nan 8.270 nan 0.000 0.483 1173 N N 1.467 120.054 118.700 -0.187 0.000 3.012 1173 N HA 0.099 4.839 4.740 0.000 0.000 0.270 1173 N C -1.866 173.621 175.510 -0.038 0.000 1.469 1173 N CA -1.479 51.552 53.050 -0.033 0.000 0.928 1173 N CB 1.069 39.599 38.487 0.071 0.000 1.219 1173 N HN -0.132 nan 8.380 nan 0.000 0.492 1174 P HA -0.190 nan 4.420 nan 0.000 0.214 1174 P C 0.668 177.960 177.300 -0.014 0.000 1.163 1174 P CA 1.144 64.221 63.100 -0.038 0.000 0.883 1174 P CB 0.165 31.841 31.700 -0.041 0.000 0.788 1175 R N -0.526 119.974 120.500 -0.001 0.000 2.355 1175 R HA -0.078 4.262 4.340 0.000 0.000 0.219 1175 R C 0.887 177.196 176.300 0.014 0.000 1.107 1175 R CA 0.380 56.486 56.100 0.010 0.000 1.021 1175 R CB -0.729 29.582 30.300 0.020 0.000 0.852 1175 R HN 0.234 nan 8.270 nan 0.000 0.475 1176 Q N 0.495 120.303 119.800 0.014 0.000 2.457 1176 Q HA -0.207 4.133 4.340 0.000 0.000 0.283 1176 Q C -0.904 175.117 176.000 0.035 0.000 1.234 1176 Q CA 1.054 56.869 55.803 0.019 0.000 0.877 1176 Q CB -1.071 27.673 28.738 0.011 0.000 1.250 1176 Q HN 0.341 nan 8.270 nan 0.000 0.481 1177 Q N -1.051 118.774 119.800 0.043 0.000 2.307 1177 Q HA 0.226 4.566 4.340 0.000 0.000 0.262 1177 Q C 0.635 176.677 176.000 0.070 0.000 0.961 1177 Q CA -0.165 55.671 55.803 0.055 0.000 0.882 1177 Q CB 1.064 29.825 28.738 0.039 0.000 1.264 1177 Q HN 0.327 nan 8.270 nan 0.000 0.446 1178 H N 1.626 120.693 119.070 -0.006 0.000 2.319 1178 H HA -0.155 4.401 4.556 0.000 0.000 0.297 1178 H C 1.453 176.761 175.328 -0.034 0.000 1.097 1178 H CA 2.527 58.567 56.048 -0.014 0.000 1.285 1178 H CB 0.340 30.092 29.762 -0.018 0.000 1.368 1178 H HN 0.652 nan 8.280 nan 0.000 0.495 1179 S N -1.365 114.311 115.700 -0.040 0.000 2.584 1179 S HA -0.065 4.405 4.470 0.000 0.000 0.240 1179 S C 1.473 175.933 174.600 -0.233 0.000 0.975 1179 S CA 0.968 59.080 58.200 -0.147 0.000 0.949 1179 S CB -0.092 63.074 63.200 -0.057 0.000 0.761 1179 S HN 0.362 nan 8.310 nan 0.000 0.536 1180 S N 1.021 116.644 115.700 -0.129 0.000 2.701 1180 S HA 0.191 4.661 4.470 0.000 0.000 0.242 1180 S C 0.724 175.415 174.600 0.152 0.000 1.025 1180 S CA -0.021 58.186 58.200 0.011 0.000 1.016 1180 S CB 0.556 63.826 63.200 0.118 0.000 0.977 1180 S HN 0.839 nan 8.310 nan 0.000 0.546 1181 T N 0.397 114.922 114.554 -0.048 0.000 2.726 1181 T HA 0.337 4.687 4.350 0.000 0.000 0.294 1181 T C 1.212 175.824 174.700 -0.146 0.000 1.013 1181 T CA -0.527 61.547 62.100 -0.042 0.000 0.996 1181 T CB 0.388 69.162 68.868 -0.157 0.000 1.016 1181 T HN -0.024 nan 8.240 nan 0.000 0.529 1182 L N 0.785 121.788 121.223 -0.366 0.000 2.046 1182 L HA 0.045 4.385 4.340 0.000 0.000 0.208 1182 L C 2.430 179.175 176.870 -0.209 0.000 1.077 1182 L CA 1.818 56.307 54.840 -0.585 0.000 0.747 1182 L CB -1.329 40.398 42.059 -0.552 0.000 0.896 1182 L HN 0.801 nan 8.230 nan 0.000 0.432 1183 E N -1.006 119.104 120.200 -0.151 0.000 2.160 1183 E HA -0.193 4.157 4.350 0.000 0.000 0.195 1183 E C 2.370 178.929 176.600 -0.068 0.000 0.991 1183 E CA 1.275 57.628 56.400 -0.077 0.000 0.810 1183 E CB -0.524 29.143 29.700 -0.056 0.000 0.742 1183 E HN 0.482 nan 8.360 nan 0.000 0.466 1184 S N -1.112 114.473 115.700 -0.191 0.000 2.406 1184 S HA -0.102 4.368 4.470 0.000 0.000 0.228 1184 S C 1.549 176.031 174.600 -0.195 0.000 1.020 1184 S CA 0.693 58.748 58.200 -0.243 0.000 0.965 1184 S CB -0.156 62.795 63.200 -0.415 0.000 0.798 1184 S HN 0.326 nan 8.310 nan 0.000 0.488 1185 Y N 1.317 121.569 120.300 -0.080 0.000 2.176 1185 Y HA 0.218 4.768 4.550 0.000 0.000 0.291 1185 Y C 1.985 177.930 175.900 0.076 0.000 1.122 1185 Y CA 0.868 58.956 58.100 -0.020 0.000 1.128 1185 Y CB -0.242 38.170 38.460 -0.081 0.000 1.005 1185 Y HN 0.139 nan 8.280 nan 0.000 0.509 1186 L N -0.174 121.206 121.223 0.262 0.000 2.651 1186 L HA -0.182 4.158 4.340 0.000 0.000 0.236 1186 L C 1.611 178.832 176.870 0.585 0.000 1.173 1186 L CA 0.754 55.839 54.840 0.408 0.000 0.843 1186 L CB -0.314 41.879 42.059 0.223 0.000 0.964 1186 L HN 0.339 nan 8.230 nan 0.000 0.454 1187 I N -1.201 119.583 120.570 0.357 0.000 3.939 1187 I HA -0.053 4.117 4.170 0.000 0.000 0.313 1187 I C 2.105 178.314 176.117 0.154 0.000 1.274 1187 I CA 0.729 62.181 61.300 0.253 0.000 1.301 1187 I CB -0.015 38.072 38.000 0.145 0.000 1.105 1187 I HN -0.019 nan 8.210 nan 0.000 0.427 1188 K N 1.133 121.629 120.400 0.159 0.000 2.074 1188 K HA -0.155 4.165 4.320 0.000 0.000 0.209 1188 K C -0.591 176.091 176.600 0.137 0.000 1.048 1188 K CA 2.022 58.392 56.287 0.139 0.000 0.926 1188 K CB -1.484 31.154 32.500 0.231 0.000 0.713 1188 K HN 0.327 nan 8.250 nan 0.000 0.444 1189 P HA -0.158 nan 4.420 nan 0.000 0.215 1189 P C 1.245 178.674 177.300 0.214 0.000 1.157 1189 P CA 1.229 64.452 63.100 0.205 0.000 0.868 1189 P CB -0.006 31.457 31.700 -0.394 0.000 0.788 1190 I N -1.004 119.673 120.570 0.179 0.000 2.423 1190 I HA -0.269 3.901 4.170 0.000 0.000 0.254 1190 I C 2.256 178.365 176.117 -0.015 0.000 1.151 1190 I CA 1.514 62.887 61.300 0.122 0.000 1.421 1190 I CB -0.623 37.403 38.000 0.044 0.000 1.079 1190 I HN 0.080 nan 8.210 nan 0.000 0.431 1191 Q N -0.042 119.722 119.800 -0.059 0.000 2.123 1191 Q HA -0.124 4.216 4.340 0.000 0.000 0.196 1191 Q C 2.260 178.101 176.000 -0.265 0.000 0.958 1191 Q CA 0.562 56.285 55.803 -0.134 0.000 0.841 1191 Q CB -0.117 28.557 28.738 -0.107 0.000 0.915 1191 Q HN 0.216 nan 8.270 nan 0.000 0.455 1192 R N 1.477 121.752 120.500 -0.375 0.000 2.080 1192 R HA -0.154 4.186 4.340 0.000 0.000 0.236 1192 R C 2.211 178.017 176.300 -0.822 0.000 1.137 1192 R CA 2.019 57.706 56.100 -0.689 0.000 0.943 1192 R CB -1.070 28.551 30.300 -1.132 0.000 0.846 1192 R HN 0.281 nan 8.270 nan 0.000 0.431 1193 V N -1.057 118.507 119.914 -0.584 0.000 2.282 1193 V HA -0.187 3.933 4.120 0.000 0.000 0.249 1193 V C 1.997 177.853 176.094 -0.396 0.000 1.057 1193 V CA 1.680 63.659 62.300 -0.535 0.000 1.032 1193 V CB -0.899 30.576 31.823 -0.580 0.000 0.645 1193 V HN 0.138 nan 8.190 nan 0.000 0.447 1194 L N -0.165 120.871 121.223 -0.312 0.000 2.549 1194 L HA 0.045 4.385 4.340 0.000 0.000 0.229 1194 L C 2.358 179.085 176.870 -0.238 0.000 1.158 1194 L CA 1.296 56.004 54.840 -0.222 0.000 0.842 1194 L CB -1.265 40.702 42.059 -0.154 0.000 0.952 1194 L HN 0.374 nan 8.230 nan 0.000 0.452 1195 K N -1.656 118.525 120.400 -0.364 0.000 2.211 1195 K HA 0.016 4.336 4.320 0.000 0.000 0.201 1195 K C 2.123 178.573 176.600 -0.250 0.000 1.052 1195 K CA 0.672 56.769 56.287 -0.316 0.000 0.973 1195 K CB -0.253 32.015 32.500 -0.386 0.000 0.766 1195 K HN 0.291 nan 8.250 nan 0.000 0.466 1196 Y N 2.240 122.417 120.300 -0.205 0.000 2.081 1196 Y HA -0.213 4.337 4.550 0.000 0.000 0.280 1196 Y C -0.376 175.336 175.900 -0.313 0.000 1.163 1196 Y CA 1.348 59.303 58.100 -0.242 0.000 1.135 1196 Y CB -1.515 36.766 38.460 -0.299 0.000 0.970 1196 Y HN 0.137 nan 8.280 nan 0.000 0.498 1197 P HA -0.182 nan 4.420 nan 0.000 0.218 1197 P C 1.369 178.587 177.300 -0.137 0.000 1.148 1197 P CA 1.578 64.571 63.100 -0.178 0.000 0.822 1197 P CB -0.138 31.468 31.700 -0.156 0.000 0.784 1198 L N -0.987 120.172 121.223 -0.107 0.000 2.017 1198 L HA -0.147 4.193 4.340 0.000 0.000 0.208 1198 L C 2.916 179.753 176.870 -0.056 0.000 1.073 1198 L CA 1.320 56.114 54.840 -0.077 0.000 0.745 1198 L CB -1.090 40.924 42.059 -0.076 0.000 0.894 1198 L HN -0.092 nan 8.230 nan 0.000 0.432 1199 L N -0.497 120.698 121.223 -0.048 0.000 2.046 1199 L HA -0.244 4.096 4.340 0.000 0.000 0.208 1199 L C 2.555 179.410 176.870 -0.025 0.000 1.077 1199 L CA 1.200 56.034 54.840 -0.010 0.000 0.747 1199 L CB -0.432 41.658 42.059 0.051 0.000 0.896 1199 L HN 0.266 nan 8.230 nan 0.000 0.432 1200 L N -0.743 120.420 121.223 -0.099 0.000 2.046 1200 L HA -0.194 4.146 4.340 0.000 0.000 0.208 1200 L C 2.800 179.640 176.870 -0.050 0.000 1.077 1200 L CA 1.226 55.989 54.840 -0.129 0.000 0.747 1200 L CB -0.509 41.372 42.059 -0.297 0.000 0.896 1200 L HN 0.207 nan 8.230 nan 0.000 0.432 1201 R N -0.307 120.159 120.500 -0.056 0.000 2.159 1201 R HA -0.148 4.192 4.340 0.000 0.000 0.237 1201 R C 2.096 178.469 176.300 0.121 0.000 1.131 1201 R CA 0.842 56.963 56.100 0.035 0.000 0.982 1201 R CB -0.171 30.131 30.300 0.003 0.000 0.868 1201 R HN 0.393 nan 8.270 nan 0.000 0.453 1202 E N 0.817 121.051 120.200 0.056 0.000 2.072 1202 E HA -0.086 4.264 4.350 0.000 0.000 0.190 1202 E C 2.161 178.794 176.600 0.055 0.000 0.982 1202 E CA 0.807 57.235 56.400 0.047 0.000 0.803 1202 E CB -0.145 29.565 29.700 0.016 0.000 0.755 1202 E HN 0.321 nan 8.360 nan 0.000 0.453 1203 L N 0.143 121.401 121.223 0.059 0.000 2.083 1203 L HA -0.166 4.174 4.340 0.000 0.000 0.209 1203 L C 2.473 179.413 176.870 0.115 0.000 1.083 1203 L CA 0.945 55.817 54.840 0.054 0.000 0.752 1203 L CB -0.492 41.604 42.059 0.061 0.000 0.899 1203 L HN 0.049 nan 8.230 nan 0.000 0.433 1204 F N 1.252 121.185 119.950 -0.027 0.000 2.095 1204 F HA -0.256 4.271 4.527 0.000 0.000 0.298 1204 F C 2.423 178.267 175.800 0.073 0.000 1.104 1204 F CA 1.312 59.297 58.000 -0.023 0.000 1.232 1204 F CB -0.369 38.575 39.000 -0.095 0.000 0.987 1204 F HN 0.003 nan 8.300 nan 0.000 0.475 1205 A N -0.203 122.636 122.820 0.032 0.000 2.121 1205 A HA -0.020 4.300 4.320 0.000 0.000 0.218 1205 A C 1.988 179.529 177.584 -0.072 0.000 1.154 1205 A CA 1.190 53.188 52.037 -0.064 0.000 0.679 1205 A CB -0.963 18.044 19.000 0.010 0.000 0.795 1205 A HN 0.466 nan 8.150 nan 0.000 0.458 1206 L N 0.493 121.691 121.223 -0.043 0.000 2.628 1206 L HA 0.106 4.446 4.340 0.000 0.000 0.229 1206 L C 0.508 177.348 176.870 -0.050 0.000 1.137 1206 L CA 0.272 55.080 54.840 -0.054 0.000 0.909 1206 L CB -0.224 41.797 42.059 -0.064 0.000 1.137 1206 L HN 0.429 nan 8.230 nan 0.000 0.470 1207 T N -4.533 109.998 114.554 -0.037 0.000 2.855 1207 T HA 0.266 4.616 4.350 0.000 0.000 0.281 1207 T C -0.303 174.325 174.700 -0.120 0.000 1.007 1207 T CA -0.882 61.215 62.100 -0.006 0.000 1.009 1207 T CB 2.315 71.250 68.868 0.112 0.000 0.983 1207 T HN -0.108 nan 8.240 nan 0.000 0.455 1208 D N 1.561 121.887 120.400 -0.124 0.000 2.531 1208 D HA 0.120 4.760 4.640 0.000 0.000 0.239 1208 D C 1.388 177.412 176.300 -0.460 0.000 1.144 1208 D CA 0.213 54.085 54.000 -0.214 0.000 0.869 1208 D CB 0.836 41.570 40.800 -0.110 0.000 1.160 1208 D HN 0.743 nan 8.370 nan 0.000 0.484 1209 A N 4.598 127.046 122.820 -0.620 0.000 2.186 1209 A HA -0.154 4.166 4.320 0.000 0.000 0.219 1209 A C 1.573 178.923 177.584 -0.389 0.000 1.159 1209 A CA 1.120 52.621 52.037 -0.893 0.000 0.680 1209 A CB -0.098 18.620 19.000 -0.469 0.000 0.787 1209 A HN 0.600 nan 8.150 nan 0.000 0.467 1210 E N 0.102 120.178 120.200 -0.207 0.000 2.489 1210 E HA 0.059 4.409 4.350 0.000 0.000 0.204 1210 E C 0.785 177.378 176.600 -0.012 0.000 1.006 1210 E CA 0.592 56.952 56.400 -0.067 0.000 0.936 1210 E CB 0.036 29.701 29.700 -0.058 0.000 1.002 1210 E HN 0.674 nan 8.360 nan 0.000 0.488 1211 S N 0.729 116.423 115.700 -0.010 0.000 2.624 1211 S HA 0.180 4.650 4.470 0.000 0.000 0.263 1211 S C 1.090 175.737 174.600 0.077 0.000 1.287 1211 S CA -0.517 57.702 58.200 0.032 0.000 0.990 1211 S CB 1.655 64.873 63.200 0.029 0.000 0.950 1211 S HN -0.142 nan 8.310 nan 0.000 0.561 1212 E N 0.926 121.127 120.200 0.002 0.000 2.112 1212 E HA -0.073 4.277 4.350 0.000 0.000 0.190 1212 E C 1.829 178.241 176.600 -0.314 0.000 0.979 1212 E CA 0.907 57.224 56.400 -0.137 0.000 0.814 1212 E CB -0.399 29.186 29.700 -0.193 0.000 0.762 1212 E HN 0.734 nan 8.360 nan 0.000 0.460 1213 E N 0.143 120.283 120.200 -0.099 0.000 2.097 1213 E HA -0.214 4.136 4.350 0.000 0.000 0.196 1213 E C 1.933 178.615 176.600 0.137 0.000 1.000 1213 E CA 1.417 57.845 56.400 0.047 0.000 0.804 1213 E CB -0.504 29.272 29.700 0.127 0.000 0.740 1213 E HN 0.368 nan 8.360 nan 0.000 0.454 1214 H N -0.893 118.218 119.070 0.068 0.000 2.253 1214 H HA -0.191 4.365 4.556 0.000 0.000 0.296 1214 H C 1.945 177.457 175.328 0.306 0.000 1.074 1214 H CA 2.075 58.218 56.048 0.158 0.000 1.263 1214 H CB -0.574 29.215 29.762 0.045 0.000 1.363 1214 H HN 0.267 nan 8.280 nan 0.000 0.489 1215 Y N 0.745 121.156 120.300 0.186 0.000 2.151 1215 Y HA -0.314 4.236 4.550 0.000 0.000 0.284 1215 Y C 2.433 178.434 175.900 0.167 0.000 1.166 1215 Y CA 2.421 60.608 58.100 0.144 0.000 1.163 1215 Y CB -0.875 37.659 38.460 0.123 0.000 0.974 1215 Y HN 0.496 nan 8.280 nan 0.000 0.511 1216 H N -0.678 118.320 119.070 -0.120 0.000 2.290 1216 H HA -0.192 4.364 4.556 0.000 0.000 0.298 1216 H C 2.359 177.542 175.328 -0.241 0.000 1.087 1216 H CA 1.375 57.282 56.048 -0.235 0.000 1.291 1216 H CB -0.329 29.426 29.762 -0.012 0.000 1.369 1216 H HN 0.315 nan 8.280 nan 0.000 0.492 1217 L N 0.393 121.635 121.223 0.031 0.000 2.013 1217 L HA -0.237 4.103 4.340 0.000 0.000 0.212 1217 L C 2.331 179.029 176.870 -0.288 0.000 1.073 1217 L CA 1.518 56.326 54.840 -0.053 0.000 0.753 1217 L CB -0.362 41.766 42.059 0.116 0.000 0.890 1217 L HN 0.315 nan 8.230 nan 0.000 0.432 1218 D N -0.415 119.754 120.400 -0.386 0.000 2.158 1218 D HA -0.174 4.466 4.640 0.000 0.000 0.197 1218 D C 2.040 178.094 176.300 -0.410 0.000 0.995 1218 D CA 1.130 54.778 54.000 -0.587 0.000 0.846 1218 D CB 0.138 40.715 40.800 -0.373 0.000 0.941 1218 D HN 0.062 nan 8.370 nan 0.000 0.456 1219 V N 0.500 120.176 119.914 -0.395 0.000 2.307 1219 V HA -0.175 3.945 4.120 0.000 0.000 0.245 1219 V C 2.576 178.525 176.094 -0.242 0.000 1.045 1219 V CA 1.674 63.778 62.300 -0.328 0.000 1.024 1219 V CB -0.937 30.651 31.823 -0.393 0.000 0.651 1219 V HN 0.336 nan 8.190 nan 0.000 0.449 1220 A N -0.070 122.613 122.820 -0.229 0.000 1.908 1220 A HA -0.180 4.140 4.320 0.000 0.000 0.218 1220 A C 2.191 179.634 177.584 -0.234 0.000 1.181 1220 A CA 1.951 53.882 52.037 -0.178 0.000 0.627 1220 A CB -0.518 18.399 19.000 -0.138 0.000 0.818 1220 A HN 0.509 nan 8.150 nan 0.000 0.445 1221 I N -0.988 119.402 120.570 -0.299 0.000 2.133 1221 I HA -0.238 3.932 4.170 0.000 0.000 0.238 1221 I C 2.439 178.415 176.117 -0.235 0.000 1.074 1221 I CA 1.630 62.744 61.300 -0.310 0.000 1.342 1221 I CB -0.300 37.454 38.000 -0.411 0.000 1.053 1221 I HN 0.133 nan 8.210 nan 0.000 0.404 1222 K N 0.650 120.917 120.400 -0.222 0.000 2.127 1222 K HA -0.100 4.221 4.320 0.000 0.000 0.208 1222 K C 1.040 177.572 176.600 -0.114 0.000 1.047 1222 K CA 0.962 57.157 56.287 -0.153 0.000 0.927 1222 K CB -0.827 31.593 32.500 -0.133 0.000 0.716 1222 K HN 0.333 nan 8.250 nan 0.000 0.450 1226 K N 1.510 121.893 120.400 -0.028 0.000 2.103 1226 K HA 0.030 4.350 4.320 0.000 0.000 0.207 1226 K C 1.755 178.389 176.600 0.057 0.000 1.048 1226 K CA 1.501 57.796 56.287 0.012 0.000 0.930 1226 K CB 0.038 32.538 32.500 0.001 0.000 0.716 1226 K HN -0.060 nan 8.250 nan 0.000 0.444 1227 V N 1.539 121.475 119.914 0.037 0.000 2.255 1227 V HA -0.308 3.812 4.120 0.000 0.000 0.247 1227 V C 2.423 178.561 176.094 0.074 0.000 1.051 1227 V CA 2.143 64.490 62.300 0.079 0.000 1.018 1227 V CB -0.864 30.977 31.823 0.030 0.000 0.641 1227 V HN 0.378 nan 8.190 nan 0.000 0.445 1228 A N -0.551 122.266 122.820 -0.005 0.000 1.851 1228 A HA -0.281 4.039 4.320 0.000 0.000 0.216 1228 A C 2.569 180.159 177.584 0.011 0.000 1.195 1228 A CA 2.506 54.529 52.037 -0.023 0.000 0.622 1228 A CB -1.093 17.871 19.000 -0.060 0.000 0.831 1228 A HN 0.472 nan 8.150 nan 0.000 0.444 1229 S N -1.539 114.174 115.700 0.022 0.000 2.383 1229 S HA -0.270 4.200 4.470 0.000 0.000 0.229 1229 S C 1.994 176.631 174.600 0.062 0.000 1.030 1229 S CA 2.009 60.229 58.200 0.034 0.000 1.002 1229 S CB -0.516 62.706 63.200 0.035 0.000 0.829 1229 S HN 0.816 nan 8.310 nan 0.000 0.467 1230 H N 1.195 120.281 119.070 0.027 0.000 2.357 1230 H HA 0.055 4.611 4.556 0.000 0.000 0.301 1230 H C 1.909 177.275 175.328 0.063 0.000 1.082 1230 H CA 1.953 58.030 56.048 0.048 0.000 1.342 1230 H CB -0.352 29.439 29.762 0.049 0.000 1.389 1230 H HN 0.336 nan 8.280 nan 0.000 0.511 1231 I N 0.794 121.320 120.570 -0.074 0.000 2.208 1231 I HA -0.262 3.908 4.170 0.000 0.000 0.245 1231 I C 2.192 178.265 176.117 -0.074 0.000 1.097 1231 I CA 1.524 62.782 61.300 -0.070 0.000 1.363 1231 I CB -1.332 36.692 38.000 0.041 0.000 1.051 1231 I HN 0.386 nan 8.210 nan 0.000 0.413 1232 N N 0.777 119.454 118.700 -0.039 0.000 2.084 1232 N HA -0.184 4.556 4.740 0.000 0.000 0.190 1232 N C 1.068 176.564 175.510 -0.024 0.000 1.030 1232 N CA 0.859 53.898 53.050 -0.018 0.000 0.849 1232 N CB -0.011 38.473 38.487 -0.005 0.000 1.012 1232 N HN 0.290 nan 8.380 nan 0.000 0.423 1236 K N 0.853 121.286 120.400 0.054 0.000 2.074 1236 K HA -0.105 4.215 4.320 0.000 0.000 0.209 1236 K C 1.679 178.321 176.600 0.070 0.000 1.048 1236 K CA 1.834 58.150 56.287 0.048 0.000 0.926 1236 K CB -0.202 32.321 32.500 0.039 0.000 0.713 1236 K HN 0.384 nan 8.250 nan 0.000 0.444 1237 I N 0.127 120.753 120.570 0.093 0.000 2.163 1237 I HA -0.267 3.903 4.170 0.000 0.000 0.240 1237 I C 2.526 178.737 176.117 0.155 0.000 1.081 1237 I CA 1.568 62.965 61.300 0.162 0.000 1.353 1237 I CB -0.482 37.581 38.000 0.105 0.000 1.054 1237 I HN 0.348 nan 8.210 nan 0.000 0.407 1238 H N 1.278 120.382 119.070 0.055 0.000 2.390 1238 H HA -0.202 4.354 4.556 0.000 0.000 0.298 1238 H C 2.053 177.347 175.328 -0.057 0.000 1.106 1238 H CA 1.967 58.020 56.048 0.009 0.000 1.297 1238 H CB -0.023 29.764 29.762 0.042 0.000 1.375 1238 H HN 0.327 nan 8.280 nan 0.000 0.509 1239 E N -0.331 119.802 120.200 -0.111 0.000 2.110 1239 E HA -0.205 4.145 4.350 0.000 0.000 0.193 1239 E C 2.154 178.615 176.600 -0.232 0.000 0.988 1239 E CA 1.283 57.576 56.400 -0.178 0.000 0.804 1239 E CB 0.009 29.674 29.700 -0.058 0.000 0.745 1239 E HN 0.704 nan 8.360 nan 0.000 0.458 1240 E N -0.544 119.541 120.200 -0.192 0.000 2.122 1240 E HA -0.088 4.262 4.350 0.000 0.000 0.190 1240 E C 0.993 177.244 176.600 -0.581 0.000 0.977 1240 E CA 0.661 56.867 56.400 -0.323 0.000 0.820 1240 E CB 0.205 29.710 29.700 -0.325 0.000 0.770 1240 E HN 0.176 nan 8.360 nan 0.000 0.462 1241 F N -0.976 118.698 119.950 -0.460 0.000 2.706 1241 F HA 0.374 4.901 4.527 0.000 0.000 0.313 1241 F C 1.869 176.896 175.800 -1.288 0.000 1.096 1241 F CA 0.108 57.546 58.000 -0.937 0.000 1.219 1241 F CB 0.415 38.720 39.000 -1.159 0.000 1.051 1241 F HN 0.067 nan 8.300 nan 0.000 0.568 1242 G N 0.853 109.180 108.800 -0.789 0.000 2.505 1242 G HA2 -0.313 3.647 3.960 0.000 0.000 0.220 1242 G HA3 -0.313 3.647 3.960 0.000 0.000 0.220 1242 G C 1.938 176.584 174.900 -0.423 0.000 1.145 1242 G CA 1.200 45.920 45.100 -0.634 0.000 0.761 1242 G HN 0.403 nan 8.290 nan 0.000 0.571 1243 A N 0.141 122.677 122.820 -0.474 0.000 1.859 1243 A HA -0.042 4.279 4.320 0.000 0.000 0.217 1243 A C 2.655 180.046 177.584 -0.322 0.000 1.198 1243 A CA 2.328 54.160 52.037 -0.342 0.000 0.629 1243 A CB -0.964 17.827 19.000 -0.349 0.000 0.830 1243 A HN 0.346 nan 8.150 nan 0.000 0.446 1244 V N -0.624 118.978 119.914 -0.519 0.000 2.255 1244 V HA -0.315 3.805 4.120 0.000 0.000 0.247 1244 V C 2.382 178.426 176.094 -0.084 0.000 1.051 1244 V CA 2.244 64.332 62.300 -0.353 0.000 1.018 1244 V CB -1.147 30.385 31.823 -0.485 0.000 0.641 1244 V HN 0.637 nan 8.190 nan 0.000 0.445 1245 F N 0.069 119.864 119.950 -0.257 0.000 2.154 1245 F HA -0.255 4.272 4.527 0.000 0.000 0.301 1245 F C 2.502 178.182 175.800 -0.200 0.000 1.087 1245 F CA 1.227 59.077 58.000 -0.250 0.000 1.274 1245 F CB -0.350 38.510 39.000 -0.233 0.000 1.009 1245 F HN 0.285 nan 8.300 nan 0.000 0.485 1246 D N -0.148 120.272 120.400 0.033 0.000 2.103 1246 D HA -0.138 4.502 4.640 0.000 0.000 0.199 1246 D C 2.273 178.548 176.300 -0.042 0.000 0.978 1246 D CA 0.847 54.839 54.000 -0.014 0.000 0.829 1246 D CB -0.431 40.355 40.800 -0.024 0.000 0.981 1246 D HN 0.255 nan 8.370 nan 0.000 0.464 1247 Q N 0.490 120.259 119.800 -0.052 0.000 2.135 1247 Q HA -0.081 4.259 4.340 0.000 0.000 0.204 1247 Q C 2.616 178.586 176.000 -0.050 0.000 0.981 1247 Q CA 0.571 56.347 55.803 -0.045 0.000 0.856 1247 Q CB -0.381 28.332 28.738 -0.041 0.000 0.902 1247 Q HN 0.404 nan 8.270 nan 0.000 0.425 1248 L N -0.194 120.990 121.223 -0.064 0.000 2.056 1248 L HA -0.164 4.176 4.340 0.000 0.000 0.207 1248 L C 2.265 179.069 176.870 -0.111 0.000 1.078 1248 L CA 0.542 55.324 54.840 -0.097 0.000 0.749 1248 L CB -0.408 41.573 42.059 -0.131 0.000 0.901 1248 L HN 0.187 nan 8.230 nan 0.000 0.433 1249 I N 0.121 120.623 120.570 -0.112 0.000 2.142 1249 I HA -0.150 4.020 4.170 0.000 0.000 0.240 1249 I C 1.852 177.922 176.117 -0.078 0.000 1.078 1249 I CA 1.014 62.246 61.300 -0.113 0.000 1.343 1249 I CB -1.296 36.638 38.000 -0.110 0.000 1.046 1249 I HN 0.135 nan 8.210 nan 0.000 0.405 1250 A N -0.319 122.465 122.820 -0.060 0.000 2.260 1250 A HA 0.091 4.411 4.320 0.000 0.000 0.278 1250 A C 1.380 178.941 177.584 -0.039 0.000 1.269 1250 A CA 0.450 52.461 52.037 -0.045 0.000 0.824 1250 A CB -0.061 18.917 19.000 -0.037 0.000 1.238 1250 A HN 0.504 nan 8.150 nan 0.000 0.507 1251 E N -1.865 118.320 120.200 -0.025 0.000 3.562 1251 E HA -0.299 4.051 4.350 0.000 0.000 0.298 1251 E C 0.329 176.918 176.600 -0.017 0.000 0.830 1251 E CA 1.184 57.575 56.400 -0.015 0.000 1.013 1251 E CB -1.181 28.512 29.700 -0.011 0.000 1.510 1251 E HN 0.709 nan 8.360 nan 0.000 0.463 1252 Q N 1.481 121.263 119.800 -0.030 0.000 2.426 1252 Q HA -0.013 4.327 4.340 0.000 0.000 0.253 1252 Q C -0.227 175.766 176.000 -0.011 0.000 1.313 1252 Q CA 0.934 56.719 55.803 -0.031 0.000 0.902 1252 Q CB -0.329 28.383 28.738 -0.043 0.000 1.563 1252 Q HN 0.334 nan 8.270 nan 0.000 0.517 1253 T N 1.249 115.804 114.554 0.002 0.000 2.460 1253 T HA -0.215 4.135 4.350 0.000 0.000 0.318 1253 T C 1.263 175.971 174.700 0.013 0.000 1.178 1253 T CA 0.363 62.473 62.100 0.017 0.000 3.928 1253 T CB -1.181 67.708 68.868 0.036 0.000 0.558 1253 T HN 0.999 nan 8.240 nan 0.000 0.199 1254 G N 1.869 110.674 108.800 0.008 0.000 2.494 1254 G HA2 -0.421 3.539 3.960 0.000 0.000 0.252 1254 G HA3 -0.421 3.539 3.960 0.000 0.000 0.252 1254 G C 0.118 175.018 174.900 -0.001 0.000 1.025 1254 G CA 0.831 45.933 45.100 0.004 0.000 0.638 1254 G HN 1.188 nan 8.290 nan 0.000 0.544 1255 E N 1.191 121.391 120.200 -0.001 0.000 2.459 1255 E HA 0.321 4.671 4.350 0.000 0.000 0.264 1255 E C 0.770 177.361 176.600 -0.014 0.000 1.055 1255 E CA 0.455 56.851 56.400 -0.006 0.000 0.957 1255 E CB 0.213 29.910 29.700 -0.005 0.000 0.952 1255 E HN 0.440 nan 8.360 nan 0.000 0.448 1256 K N 3.801 124.192 120.400 -0.016 0.000 3.141 1256 K HA 0.141 4.461 4.320 0.000 0.000 0.248 1256 K C -0.918 175.665 176.600 -0.028 0.000 1.282 1256 K CA -0.441 55.833 56.287 -0.022 0.000 1.251 1256 K CB 0.108 32.596 32.500 -0.020 0.000 1.533 1256 K HN 0.326 nan 8.250 nan 0.000 0.409 1257 K N 1.183 121.564 120.400 -0.033 0.000 5.420 1257 K HA -0.165 4.155 4.320 0.000 0.000 0.407 1257 K C 0.454 177.030 176.600 -0.041 0.000 1.074 1257 K CA 0.277 56.539 56.287 -0.042 0.000 1.247 1257 K CB -0.930 31.543 32.500 -0.046 0.000 1.725 1257 K HN 0.419 nan 8.250 nan 0.000 0.408 1258 E N 1.148 121.324 120.200 -0.039 0.000 2.170 1258 E HA -0.016 4.334 4.350 0.000 0.000 0.191 1258 E C 1.312 177.883 176.600 -0.048 0.000 0.981 1258 E CA 1.447 57.826 56.400 -0.034 0.000 0.830 1258 E CB 0.472 30.159 29.700 -0.021 0.000 0.775 1258 E HN 0.332 nan 8.360 nan 0.000 0.470 1259 V N 0.464 120.337 119.914 -0.068 0.000 2.784 1259 V HA 0.254 4.374 4.120 0.000 0.000 0.231 1259 V C 0.833 176.872 176.094 -0.092 0.000 1.128 1259 V CA 0.589 62.835 62.300 -0.090 0.000 1.178 1259 V CB -0.869 30.875 31.823 -0.132 0.000 0.943 1259 V HN 0.298 nan 8.190 nan 0.000 0.500 1260 A N 1.619 124.380 122.820 -0.100 0.000 2.251 1260 A HA -0.154 4.166 4.320 0.000 0.000 0.283 1260 A C 0.128 177.654 177.584 -0.096 0.000 1.415 1260 A CA 1.382 53.364 52.037 -0.091 0.000 0.742 1260 A CB -1.651 17.308 19.000 -0.069 0.000 1.151 1260 A HN 1.093 nan 8.150 nan 0.000 0.354 1261 D N -0.854 119.466 120.400 -0.133 0.000 3.189 1261 D HA 0.131 4.771 4.640 0.000 0.000 0.116 1261 D C -0.728 175.438 176.300 -0.224 0.000 0.855 1261 D CA -0.238 53.683 54.000 -0.132 0.000 1.864 1261 D CB -0.642 40.109 40.800 -0.082 0.000 1.879 1261 D HN 0.562 nan 8.370 nan 0.000 0.891 1262 L N 3.310 124.352 121.223 -0.301 0.000 2.784 1262 L HA 0.367 4.707 4.340 0.000 0.000 0.241 1262 L C 0.848 177.578 176.870 -0.233 0.000 1.352 1262 L CA -0.538 53.927 54.840 -0.625 0.000 0.911 1262 L CB 0.581 42.010 42.059 -1.049 0.000 1.227 1262 L HN 0.462 nan 8.230 nan 0.000 0.501 1266 D N 0.687 121.175 120.400 0.146 0.000 2.501 1266 D HA 0.219 4.859 4.640 0.000 0.000 0.224 1266 D C 0.198 176.538 176.300 0.066 0.000 1.202 1266 D CA -0.240 53.837 54.000 0.129 0.000 0.829 1266 D CB 1.611 42.509 40.800 0.162 0.000 1.023 1266 D HN 0.262 nan 8.370 nan 0.000 0.499 1267 L N 1.570 122.767 121.223 -0.044 0.000 2.325 1267 L HA 0.166 4.507 4.340 0.000 0.000 0.284 1267 L C 0.870 177.674 176.870 -0.110 0.000 1.089 1267 L CA 0.104 54.733 54.840 -0.353 0.000 0.836 1267 L CB 0.392 42.240 42.059 -0.350 0.000 1.184 1267 L HN -0.091 nan 8.230 nan 0.000 0.444 1268 L N 5.312 126.464 121.223 -0.119 0.000 2.298 1268 L HA 0.260 4.600 4.340 0.000 0.000 0.209 1268 L C 0.299 177.155 176.870 -0.024 0.000 1.084 1268 L CA 0.276 55.090 54.840 -0.043 0.000 0.816 1268 L CB -0.018 42.017 42.059 -0.040 0.000 0.967 1268 L HN 0.574 nan 8.230 nan 0.000 0.460 1269 L N -0.368 120.834 121.223 -0.034 0.000 2.643 1269 L HA 0.360 4.700 4.340 0.000 0.000 0.256 1269 L C -1.855 175.010 176.870 -0.008 0.000 0.931 1269 L CA -0.763 54.063 54.840 -0.025 0.000 0.895 1269 L CB 2.019 44.067 42.059 -0.018 0.000 1.430 1269 L HN 0.181 nan 8.230 nan 0.000 0.419 1270 H N 0.626 119.644 119.070 -0.085 0.000 2.806 1270 H HA 0.923 5.479 4.556 0.000 0.000 0.367 1270 H C -1.178 174.010 175.328 -0.234 0.000 1.136 1270 H CA 0.064 55.971 56.048 -0.235 0.000 1.178 1270 H CB 2.166 31.809 29.762 -0.199 0.000 1.718 1270 H HN 0.693 nan 8.280 nan 0.000 0.540 1271 T N -0.166 114.187 114.554 -0.335 0.000 2.769 1271 T HA 0.465 4.815 4.350 0.000 0.000 0.306 1271 T C -0.878 173.646 174.700 -0.295 0.000 1.400 1271 T CA -1.042 60.883 62.100 -0.291 0.000 1.007 1271 T CB 1.341 70.044 68.868 -0.275 0.000 1.392 1271 T HN 0.682 nan 8.240 nan 0.000 0.500 1272 S N -0.009 115.572 115.700 -0.198 0.000 2.462 1272 S HA 0.764 5.234 4.470 0.000 0.000 0.294 1272 S C -0.694 173.812 174.600 -0.157 0.000 1.144 1272 S CA -0.524 57.586 58.200 -0.150 0.000 1.088 1272 S CB 0.877 64.039 63.200 -0.064 0.000 1.009 1272 S HN 0.941 nan 8.310 nan 0.000 0.484 1273 V N 5.555 125.381 119.914 -0.146 0.000 3.130 1273 V HA 0.627 4.747 4.120 0.000 0.000 0.310 1273 V C -1.187 174.899 176.094 -0.014 0.000 1.158 1273 V CA -1.003 61.221 62.300 -0.127 0.000 1.029 1273 V CB 2.186 33.858 31.823 -0.251 0.000 1.057 1273 V HN 0.916 nan 8.190 nan 0.000 0.436 1274 I N 3.191 123.782 120.570 0.036 0.000 2.336 1274 I HA 0.250 4.420 4.170 0.000 0.000 0.292 1274 I C -1.044 175.210 176.117 0.228 0.000 0.991 1274 I CA -0.330 61.046 61.300 0.127 0.000 1.227 1274 I CB 1.352 39.414 38.000 0.103 0.000 1.366 1274 I HN 0.683 nan 8.210 nan 0.000 0.466 1275 W N 8.001 129.344 121.300 0.071 0.000 2.497 1275 W HA 0.299 4.959 4.660 0.000 0.000 0.354 1275 W C 0.336 176.897 176.519 0.071 0.000 1.111 1275 W CA -0.752 56.645 57.345 0.086 0.000 1.510 1275 W CB 0.239 29.745 29.460 0.077 0.000 1.466 1275 W HN 0.532 nan 8.180 nan 0.000 0.409 1276 L N 4.244 125.680 121.223 0.355 0.000 2.156 1276 L HA -0.141 4.199 4.340 0.000 0.000 0.208 1276 L C 1.562 178.450 176.870 0.029 0.000 1.095 1276 L CA 0.980 55.913 54.840 0.154 0.000 0.770 1276 L CB -0.338 41.816 42.059 0.158 0.000 0.914 1276 L HN 0.367 nan 8.230 nan 0.000 0.439 1277 N N -0.050 118.674 118.700 0.040 0.000 2.914 1277 N HA 0.221 4.961 4.740 0.000 0.000 0.304 1277 N C -2.733 172.398 175.510 -0.632 0.000 1.727 1277 N CA -1.338 51.635 53.050 -0.129 0.000 0.986 1277 N CB 0.042 38.629 38.487 0.168 0.000 1.297 1277 N HN 0.099 nan 8.380 nan 0.000 0.490 1278 P HA 0.265 nan 4.420 nan 0.000 0.274 1278 P C -2.366 174.417 177.300 -0.861 0.000 1.246 1278 P CA -0.778 61.328 63.100 -1.656 0.000 0.795 1278 P CB 0.355 31.320 31.700 -1.225 0.000 1.006 1279 P HA -0.001 nan 4.420 nan 0.000 0.270 1279 P C 0.765 177.891 177.300 -0.291 0.000 1.223 1279 P CA -0.052 62.820 63.100 -0.380 0.000 0.785 1279 P CB 0.364 31.901 31.700 -0.272 0.000 0.923 1280 A N 2.308 125.017 122.820 -0.184 0.000 1.948 1280 A HA -0.188 4.132 4.320 0.000 0.000 0.220 1280 A C 2.353 179.880 177.584 -0.095 0.000 1.177 1280 A CA 2.230 54.185 52.037 -0.138 0.000 0.636 1280 A CB -1.559 17.382 19.000 -0.098 0.000 0.815 1280 A HN 0.609 nan 8.150 nan 0.000 0.449 1281 S N -0.562 115.097 115.700 -0.068 0.000 2.351 1281 S HA -0.172 4.298 4.470 0.000 0.000 0.220 1281 S C 1.897 176.538 174.600 0.068 0.000 1.035 1281 S CA 1.607 59.816 58.200 0.015 0.000 1.031 1281 S CB -0.538 62.653 63.200 -0.015 0.000 0.928 1281 S HN 0.557 nan 8.310 nan 0.000 0.433 1282 L N 2.097 123.274 121.223 -0.075 0.000 1.993 1282 L HA 0.143 4.483 4.340 0.000 0.000 0.206 1282 L C 2.402 179.230 176.870 -0.069 0.000 1.074 1282 L CA 2.251 57.031 54.840 -0.099 0.000 0.746 1282 L CB -1.557 40.320 42.059 -0.304 0.000 0.896 1282 L HN 0.313 nan 8.230 nan 0.000 0.435 1283 G N -0.645 108.038 108.800 -0.196 0.000 2.503 1283 G HA2 -0.348 3.612 3.960 0.000 0.000 0.221 1283 G HA3 -0.348 3.612 3.960 0.000 0.000 0.221 1283 G C 1.480 176.302 174.900 -0.130 0.000 1.131 1283 G CA 1.116 46.108 45.100 -0.181 0.000 0.756 1283 G HN 0.358 nan 8.290 nan 0.000 0.572 1284 K N -0.920 119.394 120.400 -0.143 0.000 2.555 1284 K HA 0.104 4.425 4.320 0.000 0.000 0.193 1284 K C 1.238 177.560 176.600 -0.465 0.000 1.032 1284 K CA 0.338 56.455 56.287 -0.283 0.000 1.004 1284 K CB -0.124 32.185 32.500 -0.318 0.000 0.804 1284 K HN 0.683 nan 8.250 nan 0.000 0.496 1285 W N -0.513 120.740 121.300 -0.079 0.000 2.942 1285 W HA 0.274 4.934 4.660 0.000 0.000 0.260 1285 W C 0.133 176.630 176.519 -0.036 0.000 1.101 1285 W CA -0.495 56.818 57.345 -0.053 0.000 1.436 1285 W CB 0.873 30.302 29.460 -0.051 0.000 0.883 1285 W HN -0.310 nan 8.180 nan 0.000 0.646 1286 K N 2.459 122.951 120.400 0.154 0.000 2.535 1286 K HA 0.088 4.408 4.320 0.000 0.000 0.253 1286 K C 1.294 177.918 176.600 0.039 0.000 0.953 1286 K CA -0.318 56.034 56.287 0.109 0.000 0.863 1286 K CB 0.947 33.527 32.500 0.135 0.000 1.111 1286 K HN -0.294 nan 8.250 nan 0.000 0.431 1287 K N 3.480 123.896 120.400 0.027 0.000 2.049 1287 K HA -0.254 4.066 4.320 0.000 0.000 0.219 1287 K C -0.268 176.338 176.600 0.009 0.000 1.056 1287 K CA 1.815 58.103 56.287 0.002 0.000 0.946 1287 K CB -0.427 32.079 32.500 0.010 0.000 0.723 1287 K HN 0.753 nan 8.250 nan 0.000 0.453 1288 E N 1.137 121.364 120.200 0.046 0.000 2.731 1288 E HA 0.434 4.784 4.350 0.000 0.000 0.248 1288 E C -2.822 173.857 176.600 0.132 0.000 1.084 1288 E CA -2.404 54.039 56.400 0.072 0.000 0.776 1288 E CB 1.598 31.338 29.700 0.067 0.000 1.404 1288 E HN 0.013 nan 8.360 nan 0.000 0.395 1289 P HA -0.055 nan 4.420 nan 0.000 0.268 1289 P C -0.644 176.868 177.300 0.354 0.000 1.208 1289 P CA 0.088 63.371 63.100 0.305 0.000 0.777 1289 P CB 0.610 32.469 31.700 0.264 0.000 0.875 1290 E N 2.121 122.550 120.200 0.383 0.000 2.199 1290 E HA 0.468 4.818 4.350 0.000 0.000 0.269 1290 E C -1.360 175.402 176.600 0.270 0.000 0.899 1290 E CA -0.592 55.956 56.400 0.247 0.000 0.772 1290 E CB 0.641 30.417 29.700 0.127 0.000 1.155 1290 E HN 0.299 nan 8.360 nan 0.000 0.408 1291 L N 2.364 123.684 121.223 0.161 0.000 2.333 1291 L HA 0.717 5.057 4.340 0.000 0.000 0.269 1291 L C -0.384 176.478 176.870 -0.013 0.000 1.010 1291 L CA -1.225 53.681 54.840 0.110 0.000 0.818 1291 L CB 1.977 44.020 42.059 -0.026 0.000 1.306 1291 L HN 0.648 nan 8.230 nan 0.000 0.430 1292 A N 1.582 124.404 122.820 0.003 0.000 2.274 1292 A HA 0.787 5.107 4.320 0.000 0.000 0.309 1292 A C -0.281 177.065 177.584 -0.396 0.000 1.226 1292 A CA -0.352 51.547 52.037 -0.231 0.000 0.853 1292 A CB 0.905 19.808 19.000 -0.162 0.000 1.146 1292 A HN 0.725 nan 8.150 nan 0.000 0.518 1293 A N 2.235 124.691 122.820 -0.607 0.000 2.330 1293 A HA 0.822 5.142 4.320 0.000 0.000 0.327 1293 A C -1.045 176.149 177.584 -0.650 0.000 1.155 1293 A CA -0.362 51.402 52.037 -0.455 0.000 0.803 1293 A CB 0.324 19.078 19.000 -0.410 0.000 1.208 1293 A HN 0.703 nan 8.150 nan 0.000 0.477 1294 F N 1.487 121.457 119.950 0.033 0.000 2.518 1294 F HA 0.476 5.003 4.527 0.000 0.000 0.323 1294 F C -0.127 175.690 175.800 0.029 0.000 1.129 1294 F CA -0.818 57.182 58.000 0.001 0.000 0.920 1294 F CB 2.393 41.423 39.000 0.052 0.000 1.160 1294 F HN 0.216 nan 8.300 nan 0.000 0.440 1295 V N 4.739 124.697 119.914 0.074 0.000 2.277 1295 V HA 0.321 4.441 4.120 0.000 0.000 0.269 1295 V C -0.465 175.591 176.094 -0.062 0.000 1.036 1295 V CA -0.600 61.733 62.300 0.054 0.000 0.821 1295 V CB -0.207 31.624 31.823 0.013 0.000 1.052 1295 V HN 0.478 nan 8.190 nan 0.000 0.462 1296 F N 2.468 122.408 119.950 -0.017 0.000 2.399 1296 F HA 0.452 4.979 4.527 0.000 0.000 0.328 1296 F C 1.555 177.329 175.800 -0.043 0.000 1.084 1296 F CA -0.821 57.152 58.000 -0.044 0.000 1.053 1296 F CB 1.249 40.177 39.000 -0.119 0.000 1.209 1296 F HN 0.272 nan 8.300 nan 0.000 0.502 1297 K N -0.291 120.203 120.400 0.157 0.000 2.218 1297 K HA -0.147 4.173 4.320 0.000 0.000 0.205 1297 K C 1.488 178.124 176.600 0.060 0.000 1.046 1297 K CA 1.919 58.253 56.287 0.078 0.000 0.933 1297 K CB -0.276 32.259 32.500 0.059 0.000 0.728 1297 K HN 0.799 nan 8.250 nan 0.000 0.454 1298 T N -3.118 111.476 114.554 0.066 0.000 3.069 1298 T HA 0.505 4.855 4.350 0.000 0.000 0.252 1298 T C 0.188 174.868 174.700 -0.033 0.000 1.053 1298 T CA 0.015 62.113 62.100 -0.002 0.000 0.964 1298 T CB 0.645 69.485 68.868 -0.046 0.000 1.005 1298 T HN 0.152 nan 8.240 nan 0.000 0.532 1299 A N -0.096 122.729 122.820 0.008 0.000 2.452 1299 A HA 0.601 4.921 4.320 0.000 0.000 0.294 1299 A C -1.871 175.746 177.584 0.054 0.000 1.010 1299 A CA -0.766 51.250 52.037 -0.035 0.000 0.613 1299 A CB 0.701 19.608 19.000 -0.154 0.000 1.363 1299 A HN 0.283 nan 8.150 nan 0.000 0.463 1300 V N 0.643 120.561 119.914 0.005 0.000 2.448 1300 V HA 0.619 4.739 4.120 0.000 0.000 0.295 1300 V C -0.487 175.621 176.094 0.023 0.000 1.025 1300 V CA -0.476 61.865 62.300 0.069 0.000 0.859 1300 V CB 1.461 33.308 31.823 0.040 0.000 0.988 1300 V HN 0.826 nan 8.190 nan 0.000 0.431 1301 V N 6.339 126.339 119.914 0.144 0.000 2.628 1301 V HA 0.577 4.697 4.120 0.000 0.000 0.306 1301 V C -0.450 175.764 176.094 0.199 0.000 1.045 1301 V CA -0.612 61.754 62.300 0.111 0.000 0.905 1301 V CB 2.042 33.908 31.823 0.071 0.000 0.997 1301 V HN 0.627 nan 8.190 nan 0.000 0.436 1302 L N 4.666 125.935 121.223 0.077 0.000 2.381 1302 L HA 0.758 5.098 4.340 0.000 0.000 0.274 1302 L C -1.092 175.888 176.870 0.184 0.000 0.988 1302 L CA -0.705 54.162 54.840 0.045 0.000 0.824 1302 L CB 2.064 43.985 42.059 -0.231 0.000 1.263 1302 L HN 0.348 nan 8.230 nan 0.000 0.410 1303 V N 2.379 122.486 119.914 0.322 0.000 2.709 1303 V HA 0.360 4.480 4.120 0.000 0.000 0.308 1303 V C -1.372 175.030 176.094 0.514 0.000 1.062 1303 V CA -0.767 61.814 62.300 0.468 0.000 0.901 1303 V CB 2.346 34.565 31.823 0.660 0.000 1.003 1303 V HN 0.535 nan 8.190 nan 0.000 0.425 1304 Y N 4.225 124.810 120.300 0.476 0.000 2.334 1304 Y HA 0.654 5.204 4.550 0.000 0.000 0.336 1304 Y C -0.179 175.895 175.900 0.289 0.000 0.960 1304 Y CA -0.500 57.833 58.100 0.387 0.000 1.164 1304 Y CB 1.218 39.949 38.460 0.452 0.000 1.155 1304 Y HN 0.676 nan 8.280 nan 0.000 0.478 1305 K N 4.888 125.043 120.400 -0.408 0.000 2.324 1305 K HA 0.407 4.727 4.320 0.000 0.000 0.253 1305 K C -1.839 174.371 176.600 -0.650 0.000 0.932 1305 K CA -0.705 55.279 56.287 -0.505 0.000 0.799 1305 K CB 1.372 33.520 32.500 -0.587 0.000 1.154 1305 K HN 0.773 nan 8.250 nan 0.000 0.425 1306 D N 1.873 122.027 120.400 -0.409 0.000 2.433 1306 D HA 0.752 5.392 4.640 0.000 0.000 0.236 1306 D C -0.900 175.298 176.300 -0.171 0.000 1.026 1306 D CA -0.377 53.479 54.000 -0.241 0.000 0.884 1306 D CB 1.988 42.788 40.800 -0.001 0.000 1.384 1306 D HN 0.696 nan 8.370 nan 0.000 0.477 1307 G N -0.106 108.624 108.800 -0.117 0.000 2.368 1307 G HA2 0.431 4.391 3.960 0.000 0.000 0.293 1307 G HA3 0.431 4.391 3.960 0.000 0.000 0.293 1307 G C -0.680 174.184 174.900 -0.061 0.000 1.467 1307 G CA 0.160 45.205 45.100 -0.093 0.000 0.804 1307 G HN 0.581 nan 8.290 nan 0.000 0.535 1308 S N -0.827 114.846 115.700 -0.047 0.000 5.096 1308 S HA 0.492 4.962 4.470 0.000 0.000 0.162 1308 S C -0.033 174.551 174.600 -0.027 0.000 1.106 1308 S CA 1.267 59.448 58.200 -0.031 0.000 1.330 1308 S CB 0.069 63.257 63.200 -0.020 0.000 1.881 1308 S HN 1.087 nan 8.310 nan 0.000 0.584 1309 K N 0.079 120.465 120.400 -0.022 0.000 2.610 1309 K HA 0.348 4.668 4.320 0.000 0.000 0.278 1309 K C -1.150 175.443 176.600 -0.011 0.000 0.964 1309 K CA -0.253 56.023 56.287 -0.017 0.000 0.859 1309 K CB 1.150 33.643 32.500 -0.013 0.000 1.434 1309 K HN 0.065 nan 8.250 nan 0.000 0.410 1310 Q N 1.600 121.395 119.800 -0.009 0.000 2.424 1310 Q HA 0.135 4.475 4.340 0.000 0.000 0.204 1310 Q C -0.822 175.178 176.000 -0.000 0.000 0.933 1310 Q CA 0.343 56.145 55.803 -0.003 0.000 0.929 1310 Q CB 0.195 28.930 28.738 -0.004 0.000 1.037 1310 Q HN 0.434 nan 8.270 nan 0.000 0.511 1311 K N 1.272 121.671 120.400 -0.002 0.000 6.402 1311 K HA -0.289 4.031 4.320 0.000 0.000 0.650 1311 K C 0.129 176.729 176.600 -0.000 0.000 1.670 1311 K CA 1.062 57.348 56.287 -0.001 0.000 1.619 1311 K CB -0.934 31.567 32.500 0.002 0.000 1.825 1311 K HN 0.454 nan 8.250 nan 0.000 0.338 1312 K N 1.017 121.416 120.400 -0.002 0.000 3.478 1312 K HA -0.389 3.931 4.320 0.000 0.000 0.200 1312 K C -0.013 176.586 176.600 -0.002 0.000 0.746 1312 K CA 3.018 59.304 56.287 -0.002 0.000 0.572 1312 K CB -0.588 31.912 32.500 0.000 0.000 0.767 1312 K HN 0.939 nan 8.250 nan 0.000 0.790 1313 K N -0.733 119.666 120.400 -0.001 0.000 2.770 1313 K HA 0.524 4.844 4.320 0.000 0.000 0.289 1313 K C -1.620 174.979 176.600 -0.001 0.000 1.051 1313 K CA -0.771 55.515 56.287 -0.002 0.000 0.814 1313 K CB 0.729 33.227 32.500 -0.004 0.000 1.512 1313 K HN 0.293 nan 8.250 nan 0.000 0.368 1314 L N 2.319 123.540 121.223 -0.004 0.000 2.343 1314 L HA 0.375 4.715 4.340 0.000 0.000 0.278 1314 L C -0.208 176.658 176.870 -0.006 0.000 0.996 1314 L CA -0.704 54.133 54.840 -0.005 0.000 0.831 1314 L CB 1.821 43.874 42.059 -0.009 0.000 1.232 1314 L HN 0.698 nan 8.230 nan 0.000 0.413 1315 V N 3.813 123.727 119.914 -0.000 0.000 2.326 1315 V HA 0.413 4.533 4.120 0.000 0.000 0.237 1315 V C 0.865 176.961 176.094 0.003 0.000 1.044 1315 V CA 0.843 63.145 62.300 0.003 0.000 1.035 1315 V CB 0.082 31.912 31.823 0.012 0.000 0.675 1315 V HN 0.887 nan 8.190 nan 0.000 0.470 1316 G N -0.324 108.484 108.800 0.013 0.000 2.020 1316 G HA2 0.436 4.396 3.960 0.000 0.000 0.304 1316 G HA3 0.436 4.396 3.960 0.000 0.000 0.304 1316 G C -1.156 173.779 174.900 0.058 0.000 1.500 1316 G CA 0.189 45.298 45.100 0.014 0.000 1.120 1316 G HN 0.231 nan 8.290 nan 0.000 0.555 1317 S N 1.039 116.740 115.700 0.002 0.000 2.647 1317 S HA 0.530 5.001 4.470 0.000 0.000 0.300 1317 S C 0.208 174.810 174.600 0.003 0.000 1.129 1317 S CA -0.590 57.650 58.200 0.066 0.000 1.029 1317 S CB 0.775 63.995 63.200 0.034 0.000 1.007 1317 S HN 0.593 nan 8.310 nan 0.000 0.484 1318 H N 2.533 121.603 119.070 0.000 0.000 2.539 1318 H HA 0.353 4.909 4.556 0.000 0.000 0.269 1318 H C 1.566 176.895 175.328 0.002 0.000 0.980 1318 H CA 0.113 56.160 56.048 -0.000 0.000 1.152 1318 H CB 0.377 30.139 29.762 -0.001 0.000 1.407 1318 H HN 0.436 nan 8.280 nan 0.000 0.564 1319 R N 0.284 120.848 120.500 0.107 0.000 1.970 1319 R HA 0.164 4.504 4.340 0.000 0.000 0.200 1319 R C -0.042 176.282 176.300 0.039 0.000 1.457 1319 R CA -0.078 56.060 56.100 0.064 0.000 1.139 1319 R CB -0.536 29.796 30.300 0.053 0.000 0.977 1319 R HN 0.166 nan 8.270 nan 0.000 0.477 1320 L N 1.581 122.824 121.223 0.032 0.000 2.410 1320 L HA 0.332 4.672 4.340 0.000 0.000 0.273 1320 L C -1.266 175.612 176.870 0.013 0.000 1.144 1320 L CA 0.857 55.711 54.840 0.024 0.000 0.863 1320 L CB 1.114 43.187 42.059 0.023 0.000 1.140 1320 L HN 0.312 nan 8.230 nan 0.000 0.463 1321 S N 6.913 122.622 115.700 0.016 0.000 2.737 1321 S HA 0.641 5.111 4.470 0.000 0.000 0.269 1321 S C -0.629 173.986 174.600 0.025 0.000 1.150 1321 S CA -0.603 57.599 58.200 0.004 0.000 1.077 1321 S CB 0.559 63.751 63.200 -0.013 0.000 1.075 1321 S HN 0.657 nan 8.310 nan 0.000 0.476 1322 I N -1.698 118.897 120.570 0.042 0.000 3.174 1322 I HA 0.663 4.833 4.170 0.000 0.000 0.313 1322 I C -1.420 174.776 176.117 0.132 0.000 1.155 1322 I CA -1.567 59.804 61.300 0.118 0.000 0.977 1322 I CB 1.066 39.143 38.000 0.128 0.000 1.248 1322 I HN 0.299 nan 8.210 nan 0.000 0.453 1323 Y N 1.765 122.094 120.300 0.047 0.000 2.713 1323 Y HA 0.307 4.857 4.550 0.000 0.000 0.341 1323 Y C 0.416 176.377 175.900 0.102 0.000 1.167 1323 Y CA 0.350 58.509 58.100 0.099 0.000 1.503 1323 Y CB -0.258 38.193 38.460 -0.015 0.000 1.199 1323 Y HN 0.531 nan 8.280 nan 0.000 0.525 1324 E N 2.518 122.863 120.200 0.242 0.000 2.367 1324 E HA 0.245 4.595 4.350 0.000 0.000 0.273 1324 E C -0.520 176.184 176.600 0.172 0.000 0.903 1324 E CA -0.696 55.803 56.400 0.165 0.000 0.764 1324 E CB 1.095 30.849 29.700 0.089 0.000 1.252 1324 E HN 0.704 nan 8.360 nan 0.000 0.446 1325 E N 2.592 122.869 120.200 0.128 0.000 2.325 1325 E HA -0.285 4.065 4.350 0.000 0.000 0.232 1325 E C -0.147 176.540 176.600 0.145 0.000 1.276 1325 E CA 0.758 57.218 56.400 0.099 0.000 0.717 1325 E CB -1.213 28.509 29.700 0.038 0.000 1.192 1325 E HN 0.697 nan 8.360 nan 0.000 0.380 1326 W N 1.591 122.916 121.300 0.042 0.000 2.539 1326 W HA 0.126 4.786 4.660 0.000 0.000 0.315 1326 W C 0.235 176.793 176.519 0.065 0.000 1.148 1326 W CA 2.027 59.408 57.345 0.060 0.000 1.403 1326 W CB 0.214 29.744 29.460 0.115 0.000 1.168 1326 W HN 0.299 nan 8.180 nan 0.000 0.489 1327 D N -1.182 119.538 120.400 0.533 0.000 2.484 1327 D HA 0.108 4.748 4.640 0.000 0.000 0.206 1327 D C -1.660 174.780 176.300 0.233 0.000 1.322 1327 D CA -0.963 53.268 54.000 0.385 0.000 0.913 1327 D CB 1.272 42.386 40.800 0.524 0.000 1.559 1327 D HN -0.168 nan 8.370 nan 0.000 0.565 1328 P HA -0.021 nan 4.420 nan 0.000 0.222 1328 P C 0.307 177.441 177.300 -0.276 0.000 1.147 1328 P CA 0.386 63.376 63.100 -0.183 0.000 0.790 1328 P CB -0.001 31.453 31.700 -0.411 0.000 0.780 1329 F N 1.072 121.085 119.950 0.104 0.000 2.515 1329 F HA 0.257 4.784 4.527 0.000 0.000 0.353 1329 F C 1.680 177.620 175.800 0.233 0.000 1.213 1329 F CA -0.520 57.575 58.000 0.158 0.000 1.194 1329 F CB 0.171 39.239 39.000 0.113 0.000 1.488 1329 F HN -0.318 nan 8.300 nan 0.000 0.619 1330 R N 1.494 122.243 120.500 0.414 0.000 2.316 1330 R HA 0.027 4.367 4.340 0.000 0.000 0.202 1330 R C -0.474 176.131 176.300 0.508 0.000 1.029 1330 R CA 0.331 56.678 56.100 0.413 0.000 1.018 1330 R CB -0.398 30.153 30.300 0.418 0.000 0.888 1330 R HN 0.479 nan 8.270 nan 0.000 0.471 1331 F N 0.816 121.009 119.950 0.404 0.000 2.670 1331 F HA 0.301 4.828 4.527 0.000 0.000 0.332 1331 F C -1.043 174.961 175.800 0.339 0.000 1.179 1331 F CA -1.168 57.041 58.000 0.347 0.000 1.076 1331 F CB 1.053 40.268 39.000 0.358 0.000 1.322 1331 F HN -0.135 nan 8.300 nan 0.000 0.515 1332 R N 4.132 124.261 120.500 -0.618 0.000 2.837 1332 R HA 0.838 5.178 4.340 0.000 0.000 0.271 1332 R C -1.940 173.969 176.300 -0.651 0.000 0.993 1332 R CA -0.742 55.111 56.100 -0.412 0.000 0.931 1332 R CB 2.494 32.729 30.300 -0.109 0.000 1.206 1332 R HN 0.880 nan 8.270 nan 0.000 0.474 1336 P HA 0.137 nan 4.420 nan 0.000 0.269 1336 P C 0.813 178.089 177.300 -0.040 0.000 1.209 1336 P CA 0.050 63.092 63.100 -0.097 0.000 0.776 1336 P CB 0.702 32.371 31.700 -0.051 0.000 0.876 1337 T N 0.342 114.882 114.554 -0.024 0.000 2.803 1337 T HA -0.149 4.201 4.350 0.000 0.000 0.269 1337 T C 1.344 176.055 174.700 0.020 0.000 1.052 1337 T CA 1.220 63.322 62.100 0.002 0.000 1.136 1337 T CB -0.440 68.431 68.868 0.006 0.000 0.864 1337 T HN 0.491 nan 8.240 nan 0.000 0.467 1338 E N 1.283 121.492 120.200 0.014 0.000 2.204 1338 E HA -0.015 4.335 4.350 0.000 0.000 0.195 1338 E C 1.758 178.388 176.600 0.050 0.000 0.990 1338 E CA 0.911 57.323 56.400 0.019 0.000 0.821 1338 E CB -0.155 29.550 29.700 0.009 0.000 0.750 1338 E HN 0.565 nan 8.360 nan 0.000 0.477 1339 A N 0.555 123.428 122.820 0.088 0.000 2.589 1339 A HA 0.183 4.503 4.320 0.000 0.000 0.283 1339 A C 0.388 178.083 177.584 0.185 0.000 1.187 1339 A CA -0.393 51.740 52.037 0.160 0.000 0.957 1339 A CB 0.423 19.589 19.000 0.277 0.000 1.175 1339 A HN 0.097 nan 8.150 nan 0.000 0.532 1340 L N 0.967 122.254 121.223 0.106 0.000 2.260 1340 L HA 0.461 4.801 4.340 0.000 0.000 0.289 1340 L C -0.708 176.212 176.870 0.083 0.000 1.057 1340 L CA 0.259 55.153 54.840 0.090 0.000 0.811 1340 L CB 0.923 43.002 42.059 0.032 0.000 1.184 1340 L HN 0.468 nan 8.230 nan 0.000 0.429 1341 Q N 3.595 123.456 119.800 0.102 0.000 2.337 1341 Q HA 0.560 4.900 4.340 0.000 0.000 0.266 1341 Q C -1.716 174.327 176.000 0.072 0.000 1.023 1341 Q CA -0.460 55.395 55.803 0.087 0.000 0.829 1341 Q CB 2.925 31.721 28.738 0.097 0.000 1.306 1341 Q HN 0.587 nan 8.270 nan 0.000 0.449 1342 V N 5.459 125.399 119.914 0.044 0.000 2.569 1342 V HA 0.672 4.792 4.120 0.000 0.000 0.301 1342 V C -1.718 174.405 176.094 0.049 0.000 1.044 1342 V CA -0.571 61.734 62.300 0.009 0.000 0.874 1342 V CB 1.695 33.426 31.823 -0.152 0.000 1.002 1342 V HN 0.821 nan 8.190 nan 0.000 0.424 1343 R N 6.020 126.568 120.500 0.079 0.000 2.513 1343 R HA 0.766 5.106 4.340 0.000 0.000 0.301 1343 R C -0.599 175.767 176.300 0.111 0.000 0.968 1343 R CA -0.368 55.795 56.100 0.104 0.000 0.872 1343 R CB 1.435 31.795 30.300 0.101 0.000 1.177 1343 R HN 0.891 nan 8.270 nan 0.000 0.444 1344 A N 5.793 128.681 122.820 0.113 0.000 2.395 1344 A HA 0.328 4.648 4.320 0.000 0.000 0.286 1344 A C 0.523 178.169 177.584 0.103 0.000 1.193 1344 A CA -0.644 51.461 52.037 0.114 0.000 0.852 1344 A CB 0.096 19.164 19.000 0.112 0.000 1.118 1344 A HN 0.750 nan 8.150 nan 0.000 0.524 1345 L N 5.059 126.348 121.223 0.110 0.000 2.540 1345 L HA 0.137 4.477 4.340 0.000 0.000 0.276 1345 L C -1.455 175.454 176.870 0.065 0.000 1.212 1345 L CA -0.997 53.897 54.840 0.090 0.000 0.893 1345 L CB 0.184 42.298 42.059 0.093 0.000 1.138 1345 L HN 0.572 nan 8.230 nan 0.000 0.491 1346 P HA 0.080 nan 4.420 nan 0.000 0.276 1346 P C -0.749 176.568 177.300 0.030 0.000 1.230 1346 P CA -0.240 62.884 63.100 0.039 0.000 0.776 1346 P CB 1.731 33.452 31.700 0.034 0.000 0.888 1347 S N 1.115 116.831 115.700 0.026 0.000 2.568 1347 S HA 0.559 5.029 4.470 0.000 0.000 0.293 1347 S C 1.204 175.813 174.600 0.015 0.000 1.089 1347 S CA -0.138 58.074 58.200 0.019 0.000 0.945 1347 S CB 1.380 64.592 63.200 0.021 0.000 1.077 1347 S HN 0.445 nan 8.310 nan 0.000 0.485 1348 A N 2.562 125.388 122.820 0.010 0.000 1.865 1348 A HA -0.018 4.302 4.320 0.000 0.000 0.217 1348 A C 0.669 178.258 177.584 0.009 0.000 1.191 1348 A CA 1.896 53.938 52.037 0.008 0.000 0.623 1348 A CB -0.835 18.168 19.000 0.005 0.000 0.826 1348 A HN 0.835 nan 8.150 nan 0.000 0.444 1349 D N 0.088 120.494 120.400 0.010 0.000 3.110 1349 D HA 0.540 5.180 4.640 0.000 0.000 0.254 1349 D C 0.357 176.665 176.300 0.014 0.000 1.283 1349 D CA 0.482 54.488 54.000 0.011 0.000 0.944 1349 D CB 0.260 41.066 40.800 0.009 0.000 1.066 1349 D HN 0.560 nan 8.370 nan 0.000 0.496 1350 A N 0.841 123.670 122.820 0.016 0.000 2.482 1350 A HA 0.160 4.480 4.320 0.000 0.000 0.249 1350 A C 1.350 178.946 177.584 0.020 0.000 1.114 1350 A CA 0.296 52.345 52.037 0.021 0.000 0.797 1350 A CB 0.094 19.107 19.000 0.022 0.000 1.067 1350 A HN 0.587 nan 8.150 nan 0.000 0.514 1351 E N -2.770 117.444 120.200 0.024 0.000 3.916 1351 E HA -0.284 4.066 4.350 0.000 0.000 0.331 1351 E C 0.677 177.290 176.600 0.022 0.000 0.729 1351 E CA 1.391 57.805 56.400 0.023 0.000 1.222 1351 E CB -1.569 28.142 29.700 0.018 0.000 1.633 1351 E HN 1.327 nan 8.360 nan 0.000 0.437 1352 A N -0.061 122.772 122.820 0.022 0.000 2.340 1352 A HA 0.229 4.549 4.320 0.000 0.000 0.213 1352 A C 0.488 178.086 177.584 0.023 0.000 1.299 1352 A CA 0.442 52.491 52.037 0.020 0.000 0.994 1352 A CB 0.249 19.258 19.000 0.016 0.000 1.132 1352 A HN 0.236 nan 8.150 nan 0.000 0.519 1353 N N 0.744 119.460 118.700 0.027 0.000 2.492 1353 N HA 0.382 5.122 4.740 0.000 0.000 0.262 1353 N C 0.274 175.808 175.510 0.040 0.000 1.202 1353 N CA 0.822 53.891 53.050 0.032 0.000 0.926 1353 N CB 0.958 39.466 38.487 0.035 0.000 1.078 1353 N HN 0.206 nan 8.380 nan 0.000 0.454 1354 A N 2.869 125.713 122.820 0.040 0.000 2.594 1354 A HA 0.330 4.650 4.320 0.000 0.000 0.287 1354 A C -0.462 177.156 177.584 0.058 0.000 1.227 1354 A CA -0.420 51.644 52.037 0.045 0.000 0.952 1354 A CB -0.026 18.991 19.000 0.029 0.000 1.161 1354 A HN 0.403 nan 8.150 nan 0.000 0.524 1355 V N 0.194 120.149 119.914 0.069 0.000 2.732 1355 V HA 0.636 4.756 4.120 0.000 0.000 0.310 1355 V C 0.283 176.450 176.094 0.122 0.000 1.053 1355 V CA -0.250 62.105 62.300 0.091 0.000 0.957 1355 V CB 1.054 32.922 31.823 0.075 0.000 1.018 1355 V HN 0.886 nan 8.190 nan 0.000 0.452 1356 C N 1.931 121.330 119.300 0.165 0.000 3.216 1356 C HA 0.826 5.286 4.460 0.000 0.000 0.346 1356 C C -1.255 173.877 174.990 0.237 0.000 1.384 1356 C CA -0.929 58.202 59.018 0.189 0.000 1.208 1356 C CB 1.409 29.268 27.740 0.199 0.000 1.483 1356 C HN 1.029 nan 8.230 nan 0.000 0.453 1357 E N 1.217 121.548 120.200 0.219 0.000 2.292 1357 E HA 0.732 5.082 4.350 0.000 0.000 0.272 1357 E C -1.439 175.273 176.600 0.186 0.000 0.881 1357 E CA -0.710 55.817 56.400 0.212 0.000 0.754 1357 E CB 1.720 31.529 29.700 0.182 0.000 1.201 1357 E HN 0.572 nan 8.360 nan 0.000 0.425 1358 I N 2.708 123.421 120.570 0.239 0.000 2.385 1358 I HA 0.327 4.497 4.170 0.000 0.000 0.294 1358 I C -0.310 175.987 176.117 0.300 0.000 0.988 1358 I CA -1.079 60.370 61.300 0.249 0.000 1.265 1358 I CB 1.442 39.604 38.000 0.270 0.000 1.388 1358 I HN 0.487 nan 8.210 nan 0.000 0.480 1359 V N 5.940 125.994 119.914 0.233 0.000 2.540 1359 V HA 0.284 4.404 4.120 0.000 0.000 0.302 1359 V C -0.057 176.217 176.094 0.300 0.000 1.035 1359 V CA -0.721 61.712 62.300 0.223 0.000 0.873 1359 V CB 1.790 33.691 31.823 0.129 0.000 0.992 1359 V HN 0.674 nan 8.190 nan 0.000 0.428 1360 H N 4.513 123.717 119.070 0.224 0.000 2.741 1360 H HA 0.467 5.023 4.556 0.000 0.000 0.261 1360 H C 0.160 175.570 175.328 0.137 0.000 1.365 1360 H CA -0.867 55.318 56.048 0.229 0.000 1.266 1360 H CB 1.165 31.163 29.762 0.393 0.000 1.485 1360 H HN 0.719 nan 8.280 nan 0.000 0.529 1361 V N 2.774 122.804 119.914 0.193 0.000 3.098 1361 V HA -0.101 4.019 4.120 0.000 0.000 0.298 1361 V C 0.569 176.638 176.094 -0.042 0.000 1.200 1361 V CA -0.216 62.123 62.300 0.066 0.000 1.321 1361 V CB 0.105 31.973 31.823 0.075 0.000 0.947 1361 V HN 0.766 nan 8.190 nan 0.000 0.513 1362 K N 2.634 123.013 120.400 -0.035 0.000 2.156 1362 K HA 0.490 4.810 4.320 0.000 0.000 0.242 1362 K C 0.021 176.592 176.600 -0.048 0.000 1.033 1362 K CA -0.004 56.249 56.287 -0.057 0.000 0.878 1362 K CB 0.638 33.121 32.500 -0.029 0.000 1.057 1362 K HN 0.793 nan 8.250 nan 0.000 0.505 1363 S N -0.109 115.565 115.700 -0.044 0.000 2.737 1363 S HA 0.116 4.586 4.470 0.000 0.000 0.269 1363 S C 0.071 174.661 174.600 -0.017 0.000 1.150 1363 S CA -0.744 57.440 58.200 -0.027 0.000 1.077 1363 S CB 0.995 64.175 63.200 -0.033 0.000 1.075 1363 S HN 0.757 nan 8.310 nan 0.000 0.476 1364 E N 1.906 122.100 120.200 -0.010 0.000 2.021 1364 E HA -0.114 4.236 4.350 0.000 0.000 0.200 1364 E C 1.051 177.648 176.600 -0.005 0.000 1.015 1364 E CA 1.535 57.931 56.400 -0.006 0.000 0.824 1364 E CB -0.155 29.543 29.700 -0.003 0.000 0.762 1364 E HN 0.787 nan 8.360 nan 0.000 0.454 1365 S N 0.199 115.897 115.700 -0.004 0.000 2.608 1365 S HA 0.080 4.550 4.470 0.000 0.000 0.261 1365 S C 0.786 175.384 174.600 -0.003 0.000 1.314 1365 S CA 0.093 58.291 58.200 -0.003 0.000 0.992 1365 S CB 1.671 64.870 63.200 -0.002 0.000 0.935 1365 S HN 0.415 nan 8.310 nan 0.000 0.564 1366 E N 0.408 120.608 120.200 -0.001 0.000 4.586 1366 E HA -0.208 4.142 4.350 0.000 0.000 0.271 1366 E C 0.790 177.391 176.600 0.001 0.000 0.767 1366 E CA 2.641 59.041 56.400 0.001 0.000 1.491 1366 E CB -1.851 27.849 29.700 -0.000 0.000 1.758 1366 E HN 2.339 nan 8.360 nan 0.000 0.398 1367 G N 0.763 109.561 108.800 -0.003 0.000 2.370 1367 G HA2 -0.318 3.642 3.960 0.000 0.000 0.295 1367 G HA3 -0.318 3.642 3.960 0.000 0.000 0.295 1367 G C -0.320 174.577 174.900 -0.005 0.000 1.045 1367 G CA 0.555 45.653 45.100 -0.003 0.000 1.199 1367 G HN 0.347 nan 8.290 nan 0.000 0.513 1368 R N 0.929 121.418 120.500 -0.018 0.000 2.451 1368 R HA 0.489 4.829 4.340 0.000 0.000 0.307 1368 R C -2.715 173.555 176.300 -0.049 0.000 0.965 1368 R CA -2.011 54.070 56.100 -0.032 0.000 0.865 1368 R CB 1.830 32.097 30.300 -0.056 0.000 1.174 1368 R HN 0.162 nan 8.270 nan 0.000 0.455 1369 P HA 0.027 nan 4.420 nan 0.000 0.272 1369 P C -0.674 176.593 177.300 -0.055 0.000 1.240 1369 P CA -0.234 62.845 63.100 -0.034 0.000 0.791 1369 P CB 0.620 32.309 31.700 -0.018 0.000 0.978 1370 E N 1.683 121.857 120.200 -0.042 0.000 2.373 1370 E HA 0.071 4.421 4.350 0.000 0.000 0.267 1370 E C -0.386 176.185 176.600 -0.049 0.000 1.032 1370 E CA -0.271 56.106 56.400 -0.038 0.000 0.889 1370 E CB 0.399 30.087 29.700 -0.019 0.000 0.984 1370 E HN 0.161 nan 8.360 nan 0.000 0.425 1371 R N 3.349 123.832 120.500 -0.029 0.000 2.513 1371 R HA 0.407 4.747 4.340 0.000 0.000 0.301 1371 R C -1.616 174.553 176.300 -0.219 0.000 0.968 1371 R CA -0.769 55.252 56.100 -0.131 0.000 0.872 1371 R CB 1.704 32.010 30.300 0.010 0.000 1.177 1371 R HN 0.368 nan 8.270 nan 0.000 0.444 1372 V N 5.235 124.890 119.914 -0.432 0.000 2.604 1372 V HA 0.555 4.675 4.120 0.000 0.000 0.305 1372 V C -0.878 174.838 176.094 -0.630 0.000 1.043 1372 V CA -0.676 61.392 62.300 -0.386 0.000 0.888 1372 V CB 1.916 33.575 31.823 -0.272 0.000 0.995 1372 V HN 0.509 nan 8.190 nan 0.000 0.429 1373 F N 3.201 123.113 119.950 -0.063 0.000 2.460 1373 F HA 0.496 5.023 4.527 0.000 0.000 0.341 1373 F C 0.349 176.135 175.800 -0.024 0.000 1.130 1373 F CA -0.635 57.374 58.000 0.014 0.000 0.962 1373 F CB 1.139 40.132 39.000 -0.011 0.000 1.171 1373 F HN 0.454 nan 8.300 nan 0.000 0.436 1374 H N 5.489 124.769 119.070 0.349 0.000 2.782 1374 H HA 0.409 4.965 4.556 0.000 0.000 0.285 1374 H C -0.377 175.107 175.328 0.261 0.000 1.093 1374 H CA -0.148 56.047 56.048 0.245 0.000 1.410 1374 H CB 0.819 30.685 29.762 0.173 0.000 1.439 1374 H HN 0.504 nan 8.280 nan 0.000 0.469 1375 L N 2.898 124.292 121.223 0.285 0.000 2.322 1375 L HA 0.300 4.640 4.340 0.000 0.000 0.281 1375 L C 0.175 177.110 176.870 0.109 0.000 1.014 1375 L CA -0.753 54.183 54.840 0.161 0.000 0.815 1375 L CB 2.015 44.092 42.059 0.030 0.000 1.247 1375 L HN 0.520 nan 8.230 nan 0.000 0.421 1376 C N 3.820 123.168 119.300 0.079 0.000 2.239 1376 C HA 0.529 4.989 4.460 0.000 0.000 0.323 1376 C C 0.824 175.811 174.990 -0.004 0.000 1.205 1376 C CA -0.732 58.316 59.018 0.049 0.000 1.584 1376 C CB -0.640 27.136 27.740 0.061 0.000 2.201 1376 C HN 0.949 nan 8.230 nan 0.000 0.475 1377 C N 3.834 123.118 119.300 -0.026 0.000 2.705 1377 C HA 0.231 4.691 4.460 0.000 0.000 0.382 1377 C C 2.144 177.116 174.990 -0.030 0.000 1.322 1377 C CA 0.383 59.363 59.018 -0.063 0.000 2.290 1377 C CB 0.602 28.314 27.740 -0.048 0.000 2.650 1377 C HN 0.984 nan 8.230 nan 0.000 0.695 1378 S N 0.222 115.897 115.700 -0.041 0.000 2.555 1378 S HA 0.095 4.566 4.470 0.000 0.000 0.230 1378 S C 0.350 174.945 174.600 -0.009 0.000 0.978 1378 S CA 0.549 58.736 58.200 -0.021 0.000 0.934 1378 S CB -0.488 62.695 63.200 -0.028 0.000 0.766 1378 S HN 1.245 nan 8.310 nan 0.000 0.533 1379 S N -1.098 114.598 115.700 -0.006 0.000 2.622 1379 S HA 0.375 4.845 4.470 0.000 0.000 0.275 1379 S C -2.887 171.721 174.600 0.013 0.000 1.112 1379 S CA -0.840 57.362 58.200 0.004 0.000 0.837 1379 S CB 0.885 64.086 63.200 0.001 0.000 1.082 1379 S HN -0.001 nan 8.310 nan 0.000 0.456 1380 P HA -0.138 nan 4.420 nan 0.000 0.216 1380 P C 0.861 178.179 177.300 0.030 0.000 1.150 1380 P CA 1.685 64.802 63.100 0.028 0.000 0.837 1380 P CB -0.023 31.692 31.700 0.024 0.000 0.786 1381 E N 0.198 120.410 120.200 0.021 0.000 2.077 1381 E HA -0.123 4.227 4.350 0.000 0.000 0.193 1381 E C 2.422 179.036 176.600 0.024 0.000 0.989 1381 E CA 1.403 57.814 56.400 0.019 0.000 0.800 1381 E CB -1.215 28.491 29.700 0.009 0.000 0.746 1381 E HN 0.190 nan 8.360 nan 0.000 0.452 1382 S N 0.115 115.824 115.700 0.015 0.000 2.359 1382 S HA -0.225 4.245 4.470 0.000 0.000 0.224 1382 S C 2.058 176.696 174.600 0.064 0.000 1.035 1382 S CA 1.565 59.772 58.200 0.012 0.000 1.018 1382 S CB -0.113 63.073 63.200 -0.023 0.000 0.876 1382 S HN 0.217 nan 8.310 nan 0.000 0.448 1383 R N 0.630 121.172 120.500 0.070 0.000 2.073 1383 R HA -0.143 4.197 4.340 0.000 0.000 0.234 1383 R C 2.360 178.741 176.300 0.136 0.000 1.134 1383 R CA 1.888 58.066 56.100 0.131 0.000 0.952 1383 R CB -0.390 29.969 30.300 0.099 0.000 0.850 1383 R HN 0.279 nan 8.270 nan 0.000 0.433 1384 K N 1.047 121.497 120.400 0.084 0.000 2.015 1384 K HA -0.193 4.127 4.320 0.000 0.000 0.216 1384 K C 1.486 178.123 176.600 0.063 0.000 1.052 1384 K CA 2.487 58.813 56.287 0.066 0.000 0.937 1384 K CB -0.471 32.056 32.500 0.044 0.000 0.719 1384 K HN 0.235 nan 8.250 nan 0.000 0.446 1385 D N -0.612 119.825 120.400 0.061 0.000 2.117 1385 D HA -0.135 4.505 4.640 0.000 0.000 0.197 1385 D C 1.714 178.057 176.300 0.073 0.000 0.987 1385 D CA 0.955 54.983 54.000 0.048 0.000 0.829 1385 D CB -0.382 40.435 40.800 0.030 0.000 0.961 1385 D HN 0.232 nan 8.370 nan 0.000 0.460 1386 F N 1.408 121.329 119.950 -0.049 0.000 2.075 1386 F HA -0.119 4.408 4.527 0.000 0.000 0.297 1386 F C 2.058 177.816 175.800 -0.070 0.000 1.113 1386 F CA 1.204 59.165 58.000 -0.065 0.000 1.218 1386 F CB -0.539 38.422 39.000 -0.065 0.000 0.984 1386 F HN -0.113 nan 8.300 nan 0.000 0.472 1387 L N 0.182 121.283 121.223 -0.203 0.000 2.046 1387 L HA -0.233 4.107 4.340 0.000 0.000 0.208 1387 L C 2.601 179.337 176.870 -0.224 0.000 1.077 1387 L CA 1.828 56.459 54.840 -0.348 0.000 0.747 1387 L CB -0.849 41.155 42.059 -0.093 0.000 0.896 1387 L HN 0.129 nan 8.230 nan 0.000 0.432 1388 K N -0.167 120.211 120.400 -0.037 0.000 2.044 1388 K HA -0.251 4.069 4.320 0.000 0.000 0.210 1388 K C 2.423 179.002 176.600 -0.035 0.000 1.049 1388 K CA 1.908 58.213 56.287 0.029 0.000 0.927 1388 K CB -0.150 32.363 32.500 0.022 0.000 0.713 1388 K HN 0.136 nan 8.250 nan 0.000 0.443 1389 S N -0.165 115.472 115.700 -0.105 0.000 2.356 1389 S HA -0.118 4.352 4.470 0.000 0.000 0.223 1389 S C 1.925 176.419 174.600 -0.177 0.000 1.032 1389 S CA 1.516 59.645 58.200 -0.118 0.000 1.005 1389 S CB -0.276 62.861 63.200 -0.107 0.000 0.867 1389 S HN 0.232 nan 8.310 nan 0.000 0.449 1390 V N 2.297 121.994 119.914 -0.362 0.000 2.295 1390 V HA -0.150 3.970 4.120 0.000 0.000 0.246 1390 V C 2.479 178.435 176.094 -0.230 0.000 1.049 1390 V CA 2.077 64.149 62.300 -0.381 0.000 1.024 1390 V CB -1.008 30.431 31.823 -0.641 0.000 0.648 1390 V HN 0.586 nan 8.190 nan 0.000 0.447 1391 H N -0.226 118.761 119.070 -0.139 0.000 2.352 1391 H HA -0.146 4.410 4.556 0.000 0.000 0.299 1391 H C 2.707 177.999 175.328 -0.059 0.000 1.097 1391 H CA 1.885 57.884 56.048 -0.081 0.000 1.311 1391 H CB -0.530 29.190 29.762 -0.070 0.000 1.377 1391 H HN 0.466 nan 8.280 nan 0.000 0.504 1392 S N 0.731 116.464 115.700 0.056 0.000 2.365 1392 S HA -0.145 4.325 4.470 0.000 0.000 0.225 1392 S C 2.323 176.932 174.600 0.015 0.000 1.039 1392 S CA 1.754 59.967 58.200 0.022 0.000 1.033 1392 S CB -0.504 62.694 63.200 -0.003 0.000 0.887 1392 S HN 0.521 nan 8.310 nan 0.000 0.447 1393 I N -0.992 119.576 120.570 -0.003 0.000 2.493 1393 I HA -0.035 4.135 4.170 0.000 0.000 0.254 1393 I C 2.111 178.246 176.117 0.030 0.000 1.160 1393 I CA 1.208 62.513 61.300 0.009 0.000 1.445 1393 I CB -0.466 37.534 38.000 0.001 0.000 1.086 1393 I HN 0.258 nan 8.210 nan 0.000 0.433 1394 L N 0.823 122.069 121.223 0.038 0.000 2.044 1394 L HA -0.089 4.251 4.340 0.000 0.000 0.205 1394 L C 2.978 179.906 176.870 0.095 0.000 1.075 1394 L CA 1.346 56.232 54.840 0.077 0.000 0.747 1394 L CB -0.612 41.502 42.059 0.092 0.000 0.903 1394 L HN 0.271 nan 8.230 nan 0.000 0.435 1395 R N 0.508 121.043 120.500 0.059 0.000 2.103 1395 R HA -0.211 4.129 4.340 0.000 0.000 0.234 1395 R C 1.963 178.291 176.300 0.047 0.000 1.132 1395 R CA 2.348 58.462 56.100 0.023 0.000 0.925 1395 R CB -0.313 29.989 30.300 0.003 0.000 0.842 1395 R HN 0.340 nan 8.270 nan 0.000 0.430 1396 D N 0.674 121.099 120.400 0.042 0.000 2.092 1396 D HA -0.131 4.509 4.640 0.000 0.000 0.193 1396 D C 0.658 176.996 176.300 0.064 0.000 0.994 1396 D CA 1.158 55.184 54.000 0.042 0.000 0.828 1396 D CB -0.124 40.692 40.800 0.026 0.000 0.963 1396 D HN 0.122 nan 8.370 nan 0.000 0.450 1397 K N 1.014 121.453 120.400 0.066 0.000 3.322 1397 K HA -0.009 4.311 4.320 0.000 0.000 0.291 1397 K C 0.803 177.459 176.600 0.094 0.000 1.131 1397 K CA 0.178 56.501 56.287 0.060 0.000 1.185 1397 K CB -0.214 32.308 32.500 0.037 0.000 1.338 1397 K HN 0.395 nan 8.250 nan 0.000 0.380 1398 H N -0.194 118.881 119.070 0.007 0.000 3.580 1398 H HA 0.162 4.718 4.556 0.000 0.000 0.245 1398 H C 1.156 176.488 175.328 0.006 0.000 1.015 1398 H CA -0.059 55.994 56.048 0.009 0.000 1.113 1398 H CB 0.731 30.500 29.762 0.011 0.000 1.469 1398 H HN 0.006 nan 8.280 nan 0.000 0.554 1399 R N 0.962 121.584 120.500 0.204 0.000 2.153 1399 R HA -0.121 4.219 4.340 0.000 0.000 0.252 1399 R C 1.489 177.833 176.300 0.074 0.000 1.158 1399 R CA 1.481 57.662 56.100 0.135 0.000 0.975 1399 R CB 0.044 30.387 30.300 0.071 0.000 0.871 1399 R HN 0.348 nan 8.270 nan 0.000 0.450 1400 R N -0.494 120.022 120.500 0.027 0.000 2.789 1400 R HA 0.224 4.564 4.340 0.000 0.000 0.166 1400 R C 1.062 177.332 176.300 -0.051 0.000 0.957 1400 R CA 0.269 56.364 56.100 -0.008 0.000 1.084 1400 R CB -0.243 30.056 30.300 -0.002 0.000 1.312 1400 R HN 0.241 nan 8.270 nan 0.000 0.546 1401 Q N 0.000 119.769 119.800 -0.051 0.000 2.315 1401 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 1401 Q CA 0.000 55.761 55.803 -0.071 0.000 1.022 1401 Q CB 0.000 28.715 28.738 -0.039 0.000 1.108 1401 Q HN 0.000 nan 8.270 nan 0.000 0.481