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_A DATA FIRST_RESID 1034 DATA SEQUENCE QLSDADKLRK VICELLETER TYVKDLNCLX ERYLKPLQKE TFLTQDELDV DATA SEQUENCE LFGNLTEXVE FQVEFLKTLE DGVRLVPDLE KLEKVDQFKK VLFSLGGSFL DATA SEQUENCE YYADRFKLYS AFCASHTKVP KVLVKAKTDT AFKAFLDAQN PRQQHSSTLE DATA SEQUENCE SYLIKPIQRV LKYPLLLREL FALTDAESEE HYHLDVAIKT XNKVASHINE DATA SEQUENCE XQKIHEEFGA VFDQLIAEQT GEKKEVADLS XGDLLLHTSV IWLNPPASLG DATA SEQUENCE KWKKEPELAA FVFKTAVVLV YKDGSKQKKK LVGSHRLSIY EEWDPFRFRH DATA SEQUENCE XIPTEALQVR ALPSADAEAN AVCEIVHVKS ESEGRPERVF HLCCSSPESR DATA SEQUENCE KDFLKSVHSI LRDKHRRQ 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 1034 Q HA 0.000 nan 4.340 nan 0.000 0.214 1034 Q C 0.000 176.005 176.000 0.008 0.000 1.003 1034 Q CA 0.000 55.807 55.803 0.006 0.000 1.022 1034 Q CB 0.000 28.742 28.738 0.007 0.000 1.108 1035 L N 1.881 123.109 121.223 0.007 0.000 2.367 1035 L HA 0.357 4.697 4.340 -0.000 0.000 0.275 1035 L C 0.898 177.772 176.870 0.008 0.000 1.129 1035 L CA -0.057 54.789 54.840 0.010 0.000 0.839 1035 L CB 0.822 42.885 42.059 0.007 0.000 1.133 1035 L HN 0.368 nan 8.230 nan 0.000 0.453 1036 S N 0.721 116.430 115.700 0.014 0.000 2.632 1036 S HA 0.133 4.603 4.470 -0.000 0.000 0.271 1036 S C 0.708 175.311 174.600 0.005 0.000 1.260 1036 S CA -0.923 57.285 58.200 0.014 0.000 1.010 1036 S CB 1.386 64.603 63.200 0.028 0.000 0.965 1036 S HN 0.594 nan 8.310 nan 0.000 0.534 1037 D N 1.449 121.847 120.400 -0.003 0.000 2.203 1037 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 1037 D C 2.126 178.400 176.300 -0.043 0.000 0.997 1037 D CA 1.770 55.755 54.000 -0.025 0.000 0.863 1037 D CB -0.567 40.219 40.800 -0.024 0.000 0.928 1037 D HN 0.728 nan 8.370 nan 0.000 0.458 1038 A N 1.568 124.393 122.820 0.007 0.000 1.877 1038 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 1038 A C 1.918 179.510 177.584 0.013 0.000 1.186 1038 A CA 1.658 53.723 52.037 0.047 0.000 0.620 1038 A CB -0.306 18.805 19.000 0.186 0.000 0.822 1038 A HN 0.081 nan 8.150 nan 0.000 0.443 1039 D N -0.107 120.314 120.400 0.034 0.000 2.084 1039 D HA -0.142 4.497 4.640 -0.000 0.000 0.194 1039 D C 1.909 178.202 176.300 -0.012 0.000 0.990 1039 D CA 1.491 55.510 54.000 0.032 0.000 0.826 1039 D CB -0.337 40.481 40.800 0.031 0.000 0.971 1039 D HN 0.473 nan 8.370 nan 0.000 0.453 1040 K N 0.351 120.734 120.400 -0.030 0.000 2.044 1040 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 1040 K C 2.250 178.802 176.600 -0.080 0.000 1.049 1040 K CA 0.657 56.919 56.287 -0.041 0.000 0.927 1040 K CB -0.326 32.151 32.500 -0.038 0.000 0.713 1040 K HN 0.018 nan 8.250 nan 0.000 0.443 1041 L N 1.469 122.597 121.223 -0.158 0.000 2.012 1041 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 1041 L C 2.516 179.229 176.870 -0.262 0.000 1.073 1041 L CA 1.576 56.252 54.840 -0.274 0.000 0.748 1041 L CB -0.310 41.427 42.059 -0.538 0.000 0.891 1041 L HN 0.078 nan 8.230 nan 0.000 0.431 1042 R N -0.624 119.744 120.500 -0.219 0.000 2.105 1042 R HA -0.183 4.156 4.340 -0.000 0.000 0.239 1042 R C 2.174 178.480 176.300 0.010 0.000 1.135 1042 R CA 1.342 57.429 56.100 -0.021 0.000 0.967 1042 R CB -0.054 30.322 30.300 0.127 0.000 0.861 1042 R HN 0.294 nan 8.270 nan 0.000 0.442 1043 K N 0.137 120.533 120.400 -0.006 0.000 2.009 1043 K HA -0.124 4.196 4.320 -0.000 0.000 0.210 1043 K C 2.158 178.765 176.600 0.011 0.000 1.049 1043 K CA 1.564 57.856 56.287 0.008 0.000 0.929 1043 K CB -0.796 31.704 32.500 0.001 0.000 0.714 1043 K HN 0.121 nan 8.250 nan 0.000 0.440 1044 V N 2.215 122.125 119.914 -0.006 0.000 2.287 1044 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 1044 V C 2.506 178.621 176.094 0.036 0.000 1.053 1044 V CA 1.658 63.965 62.300 0.011 0.000 1.027 1044 V CB -0.556 31.265 31.823 -0.003 0.000 0.646 1044 V HN 0.203 nan 8.190 nan 0.000 0.447 1045 I N -0.443 120.142 120.570 0.026 0.000 2.264 1045 I HA -0.289 3.880 4.170 -0.000 0.000 0.248 1045 I C 2.538 178.697 176.117 0.071 0.000 1.111 1045 I CA 1.594 62.931 61.300 0.062 0.000 1.382 1045 I CB -0.486 37.558 38.000 0.073 0.000 1.060 1045 I HN 0.383 nan 8.210 nan 0.000 0.418 1046 C N 0.077 119.413 119.300 0.060 0.000 2.457 1046 C HA -0.120 4.340 4.460 -0.000 0.000 0.278 1046 C C 2.748 177.771 174.990 0.055 0.000 1.309 1046 C CA 0.556 59.608 59.018 0.058 0.000 1.735 1046 C CB -0.874 26.897 27.740 0.052 0.000 1.992 1046 C HN 0.509 nan 8.230 nan 0.000 0.493 1047 E N 0.683 120.914 120.200 0.051 0.000 2.051 1047 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 1047 E C 2.183 178.827 176.600 0.073 0.000 0.991 1047 E CA 0.836 57.266 56.400 0.050 0.000 0.799 1047 E CB -0.225 29.497 29.700 0.037 0.000 0.748 1047 E HN 0.593 nan 8.360 nan 0.000 0.449 1048 L N 0.779 122.060 121.223 0.096 0.000 1.990 1048 L HA -0.240 4.100 4.340 -0.000 0.000 0.213 1048 L C 2.477 179.432 176.870 0.142 0.000 1.072 1048 L CA 1.442 56.374 54.840 0.154 0.000 0.755 1048 L CB -0.321 41.852 42.059 0.190 0.000 0.889 1048 L HN 0.318 nan 8.230 nan 0.000 0.432 1049 L N -0.266 121.014 121.223 0.095 0.000 2.027 1049 L HA -0.244 4.096 4.340 -0.000 0.000 0.206 1049 L C 2.590 179.499 176.870 0.066 0.000 1.074 1049 L CA 1.481 56.358 54.840 0.062 0.000 0.745 1049 L CB -0.316 41.766 42.059 0.038 0.000 0.898 1049 L HN 0.318 nan 8.230 nan 0.000 0.433 1050 E N -0.669 119.569 120.200 0.063 0.000 2.051 1050 E HA -0.238 4.111 4.350 -0.000 0.000 0.192 1050 E C 2.063 178.706 176.600 0.073 0.000 0.991 1050 E CA 1.976 58.410 56.400 0.058 0.000 0.799 1050 E CB -0.238 29.491 29.700 0.048 0.000 0.748 1050 E HN 0.594 nan 8.360 nan 0.000 0.449 1051 T N -0.515 114.087 114.554 0.080 0.000 2.833 1051 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 1051 T C 1.871 176.659 174.700 0.146 0.000 1.054 1051 T CA 1.437 63.590 62.100 0.089 0.000 1.135 1051 T CB -0.063 68.838 68.868 0.055 0.000 0.869 1051 T HN -0.017 nan 8.240 nan 0.000 0.466 1052 E N 1.522 121.826 120.200 0.173 0.000 2.072 1052 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 1052 E C 2.465 179.185 176.600 0.200 0.000 0.985 1052 E CA 1.087 57.637 56.400 0.250 0.000 0.801 1052 E CB -0.234 29.602 29.700 0.227 0.000 0.750 1052 E HN 0.584 nan 8.360 nan 0.000 0.452 1053 R N -0.560 120.010 120.500 0.117 0.000 2.081 1053 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 1053 R C 2.444 178.796 176.300 0.088 0.000 1.131 1053 R CA 1.841 57.986 56.100 0.075 0.000 0.960 1053 R CB -0.652 29.676 30.300 0.048 0.000 0.856 1053 R HN 0.179 nan 8.270 nan 0.000 0.436 1054 T N 0.478 115.096 114.554 0.108 0.000 2.652 1054 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 1054 T C 1.474 176.266 174.700 0.152 0.000 1.039 1054 T CA 1.587 63.754 62.100 0.111 0.000 1.153 1054 T CB -0.503 68.427 68.868 0.103 0.000 0.863 1054 T HN 0.281 nan 8.240 nan 0.000 0.428 1055 Y N 2.119 122.457 120.300 0.063 0.000 2.114 1055 Y HA -0.195 4.355 4.550 -0.000 0.000 0.282 1055 Y C 2.301 178.251 175.900 0.083 0.000 1.165 1055 Y CA 0.695 58.840 58.100 0.075 0.000 1.148 1055 Y CB -0.875 37.638 38.460 0.089 0.000 0.972 1055 Y HN -0.003 nan 8.280 nan 0.000 0.504 1056 V N 0.944 120.841 119.914 -0.028 0.000 2.343 1056 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 1056 V C 2.491 178.522 176.094 -0.104 0.000 1.051 1056 V CA 2.377 64.596 62.300 -0.136 0.000 1.036 1056 V CB -0.775 31.031 31.823 -0.027 0.000 0.654 1056 V HN 0.375 nan 8.190 nan 0.000 0.451 1057 K N -0.074 120.313 120.400 -0.022 0.000 2.057 1057 K HA -0.231 4.089 4.320 -0.000 0.000 0.207 1057 K C 1.886 178.496 176.600 0.017 0.000 1.049 1057 K CA 1.941 58.229 56.287 0.002 0.000 0.931 1057 K CB -0.266 32.254 32.500 0.035 0.000 0.714 1057 K HN 0.473 nan 8.250 nan 0.000 0.440 1058 D N 0.817 121.252 120.400 0.059 0.000 2.117 1058 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 1058 D C 1.974 178.312 176.300 0.063 0.000 0.987 1058 D CA 0.812 54.924 54.000 0.187 0.000 0.829 1058 D CB -0.085 40.863 40.800 0.247 0.000 0.961 1058 D HN 0.131 nan 8.370 nan 0.000 0.460 1059 L N 1.628 122.774 121.223 -0.128 0.000 2.017 1059 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 1059 L C 1.954 178.745 176.870 -0.131 0.000 1.073 1059 L CA 1.446 56.164 54.840 -0.203 0.000 0.745 1059 L CB -0.886 40.934 42.059 -0.399 0.000 0.894 1059 L HN 0.006 nan 8.230 nan 0.000 0.432 1060 N N -1.500 117.137 118.700 -0.104 0.000 2.166 1060 N HA -0.209 4.531 4.740 -0.000 0.000 0.186 1060 N C 2.003 177.461 175.510 -0.086 0.000 1.019 1060 N CA 1.574 54.579 53.050 -0.074 0.000 0.856 1060 N CB -0.699 37.758 38.487 -0.050 0.000 0.993 1060 N HN 0.435 nan 8.380 nan 0.000 0.426 1061 C N 1.412 120.655 119.300 -0.095 0.000 2.425 1061 C HA 0.073 4.533 4.460 -0.000 0.000 0.277 1061 C C 1.764 176.577 174.990 -0.294 0.000 1.280 1061 C CA -0.275 58.651 59.018 -0.153 0.000 1.744 1061 C CB -1.131 26.551 27.740 -0.096 0.000 1.989 1061 C HN 0.288 nan 8.230 nan 0.000 0.491 1065 R N 0.356 120.784 120.500 -0.121 0.000 2.075 1065 R HA -0.007 4.332 4.340 -0.000 0.000 0.232 1065 R C 1.509 177.604 176.300 -0.342 0.000 1.126 1065 R CA 1.937 57.886 56.100 -0.253 0.000 0.963 1065 R CB -0.040 30.070 30.300 -0.317 0.000 0.858 1065 R HN 0.181 nan 8.270 nan 0.000 0.435 1066 Y N -1.824 118.411 120.300 -0.108 0.000 2.678 1066 Y HA 0.239 4.789 4.550 -0.000 0.000 0.274 1066 Y C 1.746 177.689 175.900 0.073 0.000 1.114 1066 Y CA -0.010 58.097 58.100 0.012 0.000 1.274 1066 Y CB -0.123 38.315 38.460 -0.036 0.000 1.438 1066 Y HN -0.161 nan 8.280 nan 0.000 0.493 1067 L N 0.430 121.679 121.223 0.043 0.000 1.976 1067 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 1067 L C 2.195 179.158 176.870 0.156 0.000 1.071 1067 L CA 1.772 56.467 54.840 -0.240 0.000 0.746 1067 L CB -0.610 40.826 42.059 -1.038 0.000 0.890 1067 L HN 0.162 nan 8.230 nan 0.000 0.432 1068 K N -0.083 120.430 120.400 0.188 0.000 2.009 1068 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 1068 K C -0.402 176.320 176.600 0.202 0.000 1.049 1068 K CA 1.766 58.213 56.287 0.267 0.000 0.929 1068 K CB -1.296 31.300 32.500 0.159 0.000 0.714 1068 K HN 0.324 nan 8.250 nan 0.000 0.440 1069 P HA -0.166 nan 4.420 nan 0.000 0.223 1069 P C 1.234 178.592 177.300 0.098 0.000 1.144 1069 P CA 1.264 64.475 63.100 0.185 0.000 0.783 1069 P CB 0.038 31.922 31.700 0.307 0.000 0.771 1070 L N -0.815 120.507 121.223 0.165 0.000 2.179 1070 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 1070 L C 2.933 179.814 176.870 0.020 0.000 1.096 1070 L CA 1.041 55.904 54.840 0.039 0.000 0.779 1070 L CB -0.621 41.594 42.059 0.260 0.000 0.922 1070 L HN -0.043 nan 8.230 nan 0.000 0.443 1071 Q N 0.753 120.630 119.800 0.128 0.000 2.061 1071 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 1071 Q C 1.139 177.110 176.000 -0.048 0.000 0.984 1071 Q CA 1.489 57.320 55.803 0.048 0.000 0.846 1071 Q CB -0.168 28.599 28.738 0.049 0.000 0.902 1071 Q HN 0.484 nan 8.270 nan 0.000 0.421 1072 K N 0.920 121.286 120.400 -0.055 0.000 3.322 1072 K HA 0.163 4.482 4.320 -0.000 0.000 0.291 1072 K C -0.355 176.120 176.600 -0.209 0.000 1.131 1072 K CA 0.155 56.382 56.287 -0.101 0.000 1.185 1072 K CB 0.296 32.759 32.500 -0.061 0.000 1.338 1072 K HN -0.077 nan 8.250 nan 0.000 0.380 1073 E N -0.608 119.432 120.200 -0.267 0.000 2.456 1073 E HA 0.296 4.646 4.350 -0.000 0.000 0.276 1073 E C -0.489 175.900 176.600 -0.352 0.000 0.981 1073 E CA -0.713 55.406 56.400 -0.469 0.000 0.814 1073 E CB 1.863 31.093 29.700 -0.784 0.000 1.382 1073 E HN 0.045 nan 8.360 nan 0.000 0.459 1074 T N 0.582 114.883 114.554 -0.422 0.000 3.010 1074 T HA 0.227 4.577 4.350 -0.000 0.000 0.257 1074 T C 1.144 175.820 174.700 -0.040 0.000 1.020 1074 T CA -0.172 61.817 62.100 -0.184 0.000 0.938 1074 T CB -0.153 68.645 68.868 -0.116 0.000 1.049 1074 T HN 0.358 nan 8.240 nan 0.000 0.522 1075 F N 1.524 121.404 119.950 -0.116 0.000 2.027 1075 F HA -0.050 4.477 4.527 -0.000 0.000 0.297 1075 F C 1.074 176.733 175.800 -0.235 0.000 1.129 1075 F CA 0.522 58.425 58.000 -0.162 0.000 1.195 1075 F CB -0.251 38.642 39.000 -0.178 0.000 0.960 1075 F HN 0.064 nan 8.300 nan 0.000 0.485 1076 L N 0.004 121.212 121.223 -0.025 0.000 2.399 1076 L HA 0.279 4.619 4.340 -0.000 0.000 0.265 1076 L C 0.639 177.476 176.870 -0.055 0.000 1.089 1076 L CA -0.845 53.936 54.840 -0.098 0.000 0.802 1076 L CB 1.355 43.353 42.059 -0.101 0.000 1.180 1076 L HN 0.095 nan 8.230 nan 0.000 0.454 1077 T N -2.336 112.186 114.554 -0.053 0.000 2.770 1077 T HA 0.071 4.421 4.350 -0.000 0.000 0.281 1077 T C 0.634 175.313 174.700 -0.036 0.000 0.981 1077 T CA -0.413 61.663 62.100 -0.041 0.000 0.955 1077 T CB 1.142 69.987 68.868 -0.037 0.000 1.060 1077 T HN 0.547 nan 8.240 nan 0.000 0.531 1078 Q N 0.460 120.236 119.800 -0.039 0.000 2.084 1078 Q HA -0.090 4.249 4.340 -0.000 0.000 0.202 1078 Q C 1.593 177.574 176.000 -0.031 0.000 0.978 1078 Q CA 2.249 58.026 55.803 -0.044 0.000 0.844 1078 Q CB -0.991 27.716 28.738 -0.052 0.000 0.898 1078 Q HN 0.847 nan 8.270 nan 0.000 0.426 1079 D N 0.175 120.559 120.400 -0.027 0.000 2.092 1079 D HA -0.189 4.451 4.640 -0.000 0.000 0.193 1079 D C 1.700 177.996 176.300 -0.006 0.000 0.994 1079 D CA 1.739 55.729 54.000 -0.018 0.000 0.828 1079 D CB -0.159 40.630 40.800 -0.019 0.000 0.963 1079 D HN 0.472 nan 8.370 nan 0.000 0.450 1080 E N 0.124 120.316 120.200 -0.014 0.000 2.085 1080 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 1080 E C 2.239 178.860 176.600 0.034 0.000 0.994 1080 E CA 0.576 56.969 56.400 -0.012 0.000 0.801 1080 E CB -0.163 29.506 29.700 -0.051 0.000 0.743 1080 E HN 0.316 nan 8.360 nan 0.000 0.453 1081 L N 1.230 122.486 121.223 0.055 0.000 2.093 1081 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 1081 L C 1.972 178.978 176.870 0.227 0.000 1.085 1081 L CA 0.821 55.762 54.840 0.167 0.000 0.755 1081 L CB -0.339 41.789 42.059 0.115 0.000 0.904 1081 L HN 0.096 nan 8.230 nan 0.000 0.435 1082 D N -0.224 120.229 120.400 0.088 0.000 2.144 1082 D HA -0.155 4.485 4.640 -0.000 0.000 0.199 1082 D C 2.304 178.666 176.300 0.104 0.000 0.984 1082 D CA 1.183 55.229 54.000 0.075 0.000 0.834 1082 D CB -0.127 40.678 40.800 0.010 0.000 0.955 1082 D HN 0.158 nan 8.370 nan 0.000 0.465 1083 V N 1.448 121.399 119.914 0.061 0.000 2.343 1083 V HA -0.216 3.903 4.120 -0.000 0.000 0.247 1083 V C 2.640 178.739 176.094 0.009 0.000 1.051 1083 V CA 1.139 63.446 62.300 0.011 0.000 1.036 1083 V CB -0.446 31.366 31.823 -0.017 0.000 0.654 1083 V HN 0.184 nan 8.190 nan 0.000 0.451 1084 L N -1.770 119.500 121.223 0.079 0.000 2.005 1084 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 1084 L C 2.398 179.325 176.870 0.095 0.000 1.072 1084 L CA 1.605 56.479 54.840 0.056 0.000 0.744 1084 L CB -0.711 41.394 42.059 0.077 0.000 0.895 1084 L HN 0.213 nan 8.230 nan 0.000 0.433 1085 F N 0.810 120.800 119.950 0.066 0.000 1.982 1085 F HA 0.011 4.537 4.527 -0.000 0.000 0.296 1085 F C 1.646 177.524 175.800 0.130 0.000 1.199 1085 F CA 1.283 59.341 58.000 0.097 0.000 1.174 1085 F CB -1.323 37.715 39.000 0.065 0.000 0.963 1085 F HN 0.180 nan 8.300 nan 0.000 0.495 1086 G N 1.620 110.612 108.800 0.321 0.000 2.505 1086 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.191 1086 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.191 1086 G C 0.435 175.483 174.900 0.247 0.000 0.542 1086 G CA 0.114 45.338 45.100 0.207 0.000 0.917 1086 G HN 1.085 nan 8.290 nan 0.000 0.336 1087 N N 0.057 118.862 118.700 0.174 0.000 2.608 1087 N HA -0.309 4.431 4.740 -0.000 0.000 0.246 1087 N C 1.192 176.788 175.510 0.144 0.000 1.162 1087 N CA 1.822 54.956 53.050 0.140 0.000 0.736 1087 N CB -1.075 37.478 38.487 0.109 0.000 1.078 1087 N HN 0.980 nan 8.380 nan 0.000 0.554 1088 L N 0.386 121.725 121.223 0.193 0.000 2.056 1088 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 1088 L C 2.689 179.616 176.870 0.095 0.000 1.078 1088 L CA 2.143 57.057 54.840 0.123 0.000 0.749 1088 L CB -0.564 41.581 42.059 0.144 0.000 0.901 1088 L HN 0.604 nan 8.230 nan 0.000 0.433 1089 T N -2.779 111.862 114.554 0.144 0.000 2.720 1089 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 1089 T C 1.059 175.815 174.700 0.093 0.000 1.037 1089 T CA 0.727 62.896 62.100 0.115 0.000 1.144 1089 T CB -0.365 68.579 68.868 0.126 0.000 0.864 1089 T HN 0.443 nan 8.240 nan 0.000 0.444 1093 E N 0.771 121.022 120.200 0.085 0.000 2.049 1093 E HA -0.270 4.080 4.350 -0.000 0.000 0.198 1093 E C 1.949 178.618 176.600 0.114 0.000 1.007 1093 E CA 2.256 58.708 56.400 0.086 0.000 0.809 1093 E CB -0.182 29.578 29.700 0.101 0.000 0.749 1093 E HN 0.612 nan 8.360 nan 0.000 0.450 1094 F N 2.175 122.152 119.950 0.044 0.000 2.046 1094 F HA -0.268 4.258 4.527 -0.000 0.000 0.297 1094 F C 2.501 178.320 175.800 0.032 0.000 1.123 1094 F CA 1.999 60.032 58.000 0.056 0.000 1.199 1094 F CB -0.588 38.451 39.000 0.065 0.000 0.972 1094 F HN -0.099 nan 8.300 nan 0.000 0.474 1095 Q N 0.612 120.151 119.800 -0.435 0.000 2.096 1095 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 1095 Q C 2.134 177.994 176.000 -0.233 0.000 0.982 1095 Q CA 2.349 57.897 55.803 -0.425 0.000 0.850 1095 Q CB -0.715 27.999 28.738 -0.039 0.000 0.901 1095 Q HN 0.414 nan 8.270 nan 0.000 0.422 1096 V N 0.379 120.208 119.914 -0.142 0.000 2.332 1096 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 1096 V C 2.166 178.176 176.094 -0.140 0.000 1.055 1096 V CA 2.097 64.336 62.300 -0.102 0.000 1.038 1096 V CB -0.611 31.179 31.823 -0.054 0.000 0.651 1096 V HN 0.332 nan 8.190 nan 0.000 0.450 1097 E N -0.250 119.860 120.200 -0.150 0.000 2.051 1097 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 1097 E C 1.860 178.266 176.600 -0.324 0.000 0.991 1097 E CA 1.293 57.614 56.400 -0.133 0.000 0.799 1097 E CB -0.460 29.254 29.700 0.023 0.000 0.748 1097 E HN 0.544 nan 8.360 nan 0.000 0.449 1098 F N 0.505 119.965 119.950 -0.815 0.000 2.095 1098 F HA -0.201 4.325 4.527 -0.000 0.000 0.298 1098 F C 1.964 177.432 175.800 -0.554 0.000 1.104 1098 F CA 1.259 58.590 58.000 -1.115 0.000 1.232 1098 F CB -0.550 37.683 39.000 -1.278 0.000 0.987 1098 F HN 0.168 nan 8.300 nan 0.000 0.475 1099 L N 1.084 122.042 121.223 -0.442 0.000 2.046 1099 L HA -0.197 4.142 4.340 -0.000 0.000 0.208 1099 L C 2.264 178.943 176.870 -0.318 0.000 1.077 1099 L CA 1.918 56.542 54.840 -0.361 0.000 0.747 1099 L CB -1.064 40.912 42.059 -0.138 0.000 0.896 1099 L HN 0.115 nan 8.230 nan 0.000 0.432 1100 K N -0.806 119.450 120.400 -0.240 0.000 2.044 1100 K HA -0.211 4.109 4.320 -0.000 0.000 0.210 1100 K C 1.990 178.475 176.600 -0.191 0.000 1.049 1100 K CA 2.184 58.371 56.287 -0.167 0.000 0.927 1100 K CB -0.771 31.660 32.500 -0.114 0.000 0.713 1100 K HN 0.670 nan 8.250 nan 0.000 0.443 1101 T N 0.345 114.746 114.554 -0.255 0.000 2.759 1101 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 1101 T C 1.984 176.527 174.700 -0.261 0.000 1.042 1101 T CA 1.111 63.080 62.100 -0.218 0.000 1.140 1101 T CB -0.444 68.304 68.868 -0.200 0.000 0.864 1101 T HN 0.101 nan 8.240 nan 0.000 0.455 1102 L N 0.379 121.349 121.223 -0.420 0.000 2.056 1102 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 1102 L C 3.301 180.068 176.870 -0.171 0.000 1.078 1102 L CA 1.371 56.007 54.840 -0.340 0.000 0.749 1102 L CB -0.560 41.226 42.059 -0.455 0.000 0.901 1102 L HN 0.214 nan 8.230 nan 0.000 0.433 1103 E N 0.441 120.547 120.200 -0.156 0.000 2.038 1103 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 1103 E C 1.804 178.370 176.600 -0.057 0.000 1.000 1103 E CA 1.438 57.787 56.400 -0.085 0.000 0.803 1103 E CB -0.369 29.285 29.700 -0.077 0.000 0.750 1103 E HN 0.493 nan 8.360 nan 0.000 0.448 1104 D N 0.075 120.436 120.400 -0.065 0.000 2.092 1104 D HA -0.132 4.508 4.640 -0.000 0.000 0.193 1104 D C 2.025 178.318 176.300 -0.012 0.000 0.994 1104 D CA 1.549 55.529 54.000 -0.034 0.000 0.828 1104 D CB -0.680 40.099 40.800 -0.035 0.000 0.963 1104 D HN 0.309 nan 8.370 nan 0.000 0.450 1105 G N 0.856 109.645 108.800 -0.019 0.000 2.469 1105 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 1105 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 1105 G C 1.707 176.632 174.900 0.041 0.000 1.136 1105 G CA 0.773 45.886 45.100 0.021 0.000 0.759 1105 G HN 0.310 nan 8.290 nan 0.000 0.562 1106 V N 0.291 120.219 119.914 0.023 0.000 3.041 1106 V HA 0.115 4.234 4.120 -0.000 0.000 0.260 1106 V C 2.447 178.564 176.094 0.038 0.000 1.105 1106 V CA 0.987 63.316 62.300 0.048 0.000 1.125 1106 V CB -0.333 31.515 31.823 0.040 0.000 0.730 1106 V HN 0.374 nan 8.190 nan 0.000 0.479 1107 R N -0.552 119.961 120.500 0.021 0.000 2.310 1107 R HA 0.216 4.556 4.340 -0.000 0.000 0.202 1107 R C 1.663 177.972 176.300 0.015 0.000 0.933 1107 R CA 0.156 56.264 56.100 0.013 0.000 1.054 1107 R CB -0.080 30.222 30.300 0.003 0.000 0.985 1107 R HN 0.429 nan 8.270 nan 0.000 0.489 1108 L N 0.798 122.038 121.223 0.028 0.000 2.642 1108 L HA -0.017 4.323 4.340 -0.000 0.000 0.236 1108 L C 0.132 177.009 176.870 0.013 0.000 1.169 1108 L CA 0.577 55.434 54.840 0.029 0.000 0.851 1108 L CB -0.063 42.029 42.059 0.055 0.000 0.968 1108 L HN -0.095 nan 8.230 nan 0.000 0.453 1109 V N -1.046 118.869 119.914 0.003 0.000 2.841 1109 V HA 0.235 4.355 4.120 -0.000 0.000 0.310 1109 V C -1.258 174.822 176.094 -0.024 0.000 1.090 1109 V CA -1.030 61.255 62.300 -0.025 0.000 0.930 1109 V CB 2.172 33.960 31.823 -0.057 0.000 1.014 1109 V HN -0.140 nan 8.190 nan 0.000 0.425 1110 P HA -0.107 nan 4.420 nan 0.000 0.213 1110 P C -0.047 177.240 177.300 -0.021 0.000 1.170 1110 P CA 1.467 64.553 63.100 -0.024 0.000 0.902 1110 P CB 0.496 32.179 31.700 -0.028 0.000 0.789 1111 D N -2.196 118.183 120.400 -0.036 0.000 2.613 1111 D HA 0.208 4.847 4.640 -0.000 0.000 0.230 1111 D C 1.073 177.346 176.300 -0.045 0.000 1.365 1111 D CA -0.386 53.600 54.000 -0.024 0.000 0.976 1111 D CB 0.755 41.546 40.800 -0.015 0.000 1.415 1111 D HN -0.244 nan 8.370 nan 0.000 0.589 1112 L N 2.330 123.546 121.223 -0.012 0.000 2.042 1112 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 1112 L C 1.641 178.531 176.870 0.034 0.000 1.076 1112 L CA 1.052 55.894 54.840 0.004 0.000 0.749 1112 L CB -0.253 41.911 42.059 0.175 0.000 0.893 1112 L HN 0.475 nan 8.230 nan 0.000 0.432 1113 E N 0.557 120.788 120.200 0.050 0.000 2.333 1113 E HA -0.233 4.117 4.350 -0.000 0.000 0.200 1113 E C 1.927 178.544 176.600 0.028 0.000 1.010 1113 E CA 1.197 57.630 56.400 0.054 0.000 0.841 1113 E CB -0.215 29.509 29.700 0.040 0.000 0.757 1113 E HN 0.588 nan 8.360 nan 0.000 0.508 1114 K N -0.341 120.051 120.400 -0.013 0.000 2.323 1114 K HA 0.059 4.379 4.320 -0.000 0.000 0.197 1114 K C 0.097 176.668 176.600 -0.049 0.000 1.043 1114 K CA -0.105 56.166 56.287 -0.027 0.000 0.997 1114 K CB 0.090 32.567 32.500 -0.038 0.000 0.807 1114 K HN -0.065 nan 8.250 nan 0.000 0.497 1115 L N 2.906 124.058 121.223 -0.118 0.000 2.490 1115 L HA 0.020 4.360 4.340 -0.000 0.000 0.274 1115 L C 0.955 177.830 176.870 0.009 0.000 1.201 1115 L CA 0.856 55.585 54.840 -0.186 0.000 0.869 1115 L CB 0.589 42.233 42.059 -0.692 0.000 1.123 1115 L HN 0.224 nan 8.230 nan 0.000 0.484 1116 E N 1.533 121.751 120.200 0.031 0.000 2.490 1116 E HA 0.144 4.494 4.350 -0.000 0.000 0.209 1116 E C -0.223 176.453 176.600 0.126 0.000 0.971 1116 E CA 0.068 56.518 56.400 0.083 0.000 0.988 1116 E CB 0.634 30.359 29.700 0.042 0.000 1.029 1116 E HN 0.494 nan 8.360 nan 0.000 0.496 1117 K N 1.095 121.584 120.400 0.147 0.000 2.316 1117 K HA 0.175 4.495 4.320 -0.000 0.000 0.251 1117 K C 1.045 177.846 176.600 0.336 0.000 0.934 1117 K CA -0.260 56.129 56.287 0.170 0.000 0.802 1117 K CB 2.716 35.273 32.500 0.095 0.000 1.171 1117 K HN -0.148 nan 8.250 nan 0.000 0.426 1118 V N -1.569 118.504 119.914 0.265 0.000 2.392 1118 V HA -0.261 3.859 4.120 -0.000 0.000 0.249 1118 V C 1.684 178.002 176.094 0.375 0.000 1.059 1118 V CA 1.987 64.450 62.300 0.273 0.000 1.051 1118 V CB -0.346 31.506 31.823 0.047 0.000 0.658 1118 V HN 0.909 nan 8.190 nan 0.000 0.455 1119 D N 0.482 121.011 120.400 0.215 0.000 2.221 1119 D HA -0.242 4.398 4.640 -0.000 0.000 0.204 1119 D C 2.122 178.516 176.300 0.155 0.000 0.982 1119 D CA 1.748 55.841 54.000 0.155 0.000 0.857 1119 D CB -0.109 40.743 40.800 0.087 0.000 0.934 1119 D HN 0.735 nan 8.370 nan 0.000 0.475 1120 Q N -1.199 118.691 119.800 0.150 0.000 2.482 1120 Q HA -0.035 4.304 4.340 -0.000 0.000 0.209 1120 Q C 0.961 176.901 176.000 -0.100 0.000 0.961 1120 Q CA 0.276 56.065 55.803 -0.023 0.000 0.945 1120 Q CB 0.065 28.711 28.738 -0.154 0.000 1.012 1120 Q HN 0.344 nan 8.270 nan 0.000 0.515 1121 F N 0.301 120.281 119.950 0.051 0.000 2.727 1121 F HA 0.163 4.689 4.527 -0.000 0.000 0.302 1121 F C 1.547 177.402 175.800 0.091 0.000 1.097 1121 F CA -0.151 57.889 58.000 0.066 0.000 1.330 1121 F CB 0.177 39.219 39.000 0.069 0.000 1.084 1121 F HN -0.108 nan 8.300 nan 0.000 0.578 1122 K N 1.115 121.663 120.400 0.246 0.000 2.066 1122 K HA -0.318 4.002 4.320 -0.000 0.000 0.221 1122 K C 1.915 178.651 176.600 0.226 0.000 1.056 1122 K CA 2.276 58.690 56.287 0.212 0.000 0.950 1122 K CB -0.315 32.265 32.500 0.133 0.000 0.726 1122 K HN 0.265 nan 8.250 nan 0.000 0.456 1123 K N 0.449 120.939 120.400 0.150 0.000 2.044 1123 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 1123 K C 2.190 178.921 176.600 0.219 0.000 1.049 1123 K CA 1.847 58.220 56.287 0.144 0.000 0.927 1123 K CB -0.295 32.248 32.500 0.072 0.000 0.713 1123 K HN -0.004 nan 8.250 nan 0.000 0.443 1124 V N 1.966 122.004 119.914 0.206 0.000 2.307 1124 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 1124 V C 2.308 178.542 176.094 0.234 0.000 1.045 1124 V CA 1.538 63.963 62.300 0.209 0.000 1.024 1124 V CB -0.487 31.472 31.823 0.226 0.000 0.651 1124 V HN 0.279 nan 8.190 nan 0.000 0.449 1125 L N -1.137 120.246 121.223 0.266 0.000 2.043 1125 L HA -0.237 4.102 4.340 -0.000 0.000 0.212 1125 L C 2.419 179.444 176.870 0.259 0.000 1.075 1125 L CA 2.062 57.047 54.840 0.243 0.000 0.752 1125 L CB -0.686 41.517 42.059 0.242 0.000 0.891 1125 L HN 0.342 nan 8.230 nan 0.000 0.432 1126 F N 0.323 120.375 119.950 0.170 0.000 2.069 1126 F HA -0.302 4.225 4.527 -0.000 0.000 0.298 1126 F C 2.956 178.824 175.800 0.113 0.000 1.113 1126 F CA 2.005 60.099 58.000 0.156 0.000 1.214 1126 F CB -0.335 38.755 39.000 0.151 0.000 0.978 1126 F HN -0.036 nan 8.300 nan 0.000 0.474 1127 S N 0.165 116.045 115.700 0.299 0.000 2.368 1127 S HA -0.165 4.305 4.470 -0.000 0.000 0.225 1127 S C 2.133 176.776 174.600 0.072 0.000 1.030 1127 S CA 1.531 59.836 58.200 0.176 0.000 0.999 1127 S CB -0.559 62.748 63.200 0.180 0.000 0.844 1127 S HN 0.406 nan 8.310 nan 0.000 0.459 1128 L N 0.758 122.035 121.223 0.090 0.000 1.994 1128 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 1128 L C 2.912 179.866 176.870 0.141 0.000 1.071 1128 L CA 1.365 56.248 54.840 0.071 0.000 0.745 1128 L CB -1.304 40.843 42.059 0.146 0.000 0.892 1128 L HN 0.473 nan 8.230 nan 0.000 0.431 1129 G N -0.233 108.666 108.800 0.165 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 1.570 176.511 174.900 0.068 0.000 1.150 1129 G CA 0.908 46.113 45.100 0.174 0.000 0.763 1129 G HN 0.516 nan 8.290 nan 0.000 0.561 1130 G N 0.687 109.427 108.800 -0.101 0.000 2.476 1130 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.218 1130 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.218 1130 G C 2.139 177.094 174.900 0.091 0.000 1.164 1130 G CA 1.521 46.536 45.100 -0.141 0.000 0.768 1130 G HN 0.429 nan 8.290 nan 0.000 0.560 1131 S N 0.701 116.489 115.700 0.146 0.000 2.374 1131 S HA -0.122 4.348 4.470 -0.000 0.000 0.227 1131 S C 1.995 176.812 174.600 0.361 0.000 1.037 1131 S CA 1.425 59.761 58.200 0.227 0.000 1.024 1131 S CB -0.415 62.652 63.200 -0.223 0.000 0.861 1131 S HN 0.406 nan 8.310 nan 0.000 0.456 1132 F N 1.371 121.537 119.950 0.359 0.000 2.146 1132 F HA 0.018 4.545 4.527 -0.000 0.000 0.298 1132 F C 2.070 177.984 175.800 0.190 0.000 1.096 1132 F CA 0.690 58.877 58.000 0.311 0.000 1.275 1132 F CB -0.519 38.559 39.000 0.130 0.000 1.008 1132 F HN 0.111 nan 8.300 nan 0.000 0.480 1133 L N -1.435 119.905 121.223 0.195 0.000 2.046 1133 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 1133 L C 2.278 179.134 176.870 -0.022 0.000 1.077 1133 L CA 1.546 56.382 54.840 -0.005 0.000 0.747 1133 L CB -0.994 40.941 42.059 -0.208 0.000 0.896 1133 L HN 0.174 nan 8.230 nan 0.000 0.432 1134 Y N -1.384 118.929 120.300 0.022 0.000 2.145 1134 Y HA -0.256 4.294 4.550 -0.000 0.000 0.286 1134 Y C 2.243 177.978 175.900 -0.274 0.000 1.145 1134 Y CA 1.374 59.383 58.100 -0.151 0.000 1.148 1134 Y CB -0.189 38.132 38.460 -0.232 0.000 0.981 1134 Y HN 0.042 nan 8.280 nan 0.000 0.507 1135 Y N -1.553 118.866 120.300 0.197 0.000 2.500 1135 Y HA 0.139 4.689 4.550 -0.000 0.000 0.270 1135 Y C 2.217 178.100 175.900 -0.027 0.000 1.134 1135 Y CA 0.098 58.210 58.100 0.020 0.000 1.293 1135 Y CB -0.563 37.799 38.460 -0.162 0.000 1.063 1135 Y HN 0.077 nan 8.280 nan 0.000 0.534 1136 A N 0.373 123.356 122.820 0.271 0.000 1.954 1136 A HA -0.331 3.989 4.320 -0.000 0.000 0.222 1136 A C 2.162 179.854 177.584 0.180 0.000 1.199 1136 A CA 2.493 54.716 52.037 0.309 0.000 0.657 1136 A CB -0.709 18.394 19.000 0.172 0.000 0.823 1136 A HN 0.480 nan 8.150 nan 0.000 0.463 1137 D N -1.322 119.109 120.400 0.052 0.000 2.162 1137 D HA -0.063 4.577 4.640 -0.000 0.000 0.203 1137 D C 2.149 178.414 176.300 -0.058 0.000 0.967 1137 D CA 0.711 54.704 54.000 -0.012 0.000 0.840 1137 D CB -0.104 40.669 40.800 -0.046 0.000 0.972 1137 D HN 0.462 nan 8.370 nan 0.000 0.482 1138 R N -0.619 119.787 120.500 -0.157 0.000 2.189 1138 R HA -0.022 4.317 4.340 -0.000 0.000 0.218 1138 R C 2.228 178.228 176.300 -0.501 0.000 1.074 1138 R CA 0.280 56.132 56.100 -0.414 0.000 0.991 1138 R CB -0.229 29.706 30.300 -0.608 0.000 0.883 1138 R HN 0.270 nan 8.270 nan 0.000 0.457 1139 F N 1.292 121.135 119.950 -0.178 0.000 2.408 1139 F HA -0.137 4.390 4.527 -0.000 0.000 0.300 1139 F C 1.902 177.747 175.800 0.074 0.000 1.090 1139 F CA 0.539 58.520 58.000 -0.032 0.000 1.427 1139 F CB 0.218 39.205 39.000 -0.021 0.000 1.070 1139 F HN -0.153 nan 8.300 nan 0.000 0.549 1140 K N 0.483 121.017 120.400 0.224 0.000 2.439 1140 K HA -0.030 4.290 4.320 -0.000 0.000 0.197 1140 K C 1.755 178.503 176.600 0.246 0.000 1.041 1140 K CA 0.620 57.064 56.287 0.260 0.000 0.970 1140 K CB -0.540 32.065 32.500 0.175 0.000 0.773 1140 K HN 0.398 nan 8.250 nan 0.000 0.479 1141 L N -0.266 121.062 121.223 0.175 0.000 2.353 1141 L HA -0.143 4.197 4.340 -0.000 0.000 0.220 1141 L C 1.828 178.829 176.870 0.218 0.000 1.133 1141 L CA 0.796 55.712 54.840 0.127 0.000 0.798 1141 L CB -0.575 41.470 42.059 -0.024 0.000 0.922 1141 L HN 0.041 nan 8.230 nan 0.000 0.445 1142 Y N 0.415 120.808 120.300 0.155 0.000 2.274 1142 Y HA -0.247 4.303 4.550 -0.000 0.000 0.290 1142 Y C 3.035 179.052 175.900 0.194 0.000 1.145 1142 Y CA 1.301 59.522 58.100 0.201 0.000 1.203 1142 Y CB -0.646 37.932 38.460 0.197 0.000 0.984 1142 Y HN 0.303 nan 8.280 nan 0.000 0.533 1143 S N -0.510 115.362 115.700 0.285 0.000 2.440 1143 S HA -0.216 4.254 4.470 -0.000 0.000 0.238 1143 S C 2.185 176.854 174.600 0.113 0.000 1.010 1143 S CA 0.791 59.089 58.200 0.162 0.000 0.972 1143 S CB -0.686 62.570 63.200 0.092 0.000 0.774 1143 S HN 0.361 nan 8.310 nan 0.000 0.501 1144 A N 1.379 124.280 122.820 0.134 0.000 1.854 1144 A HA 0.134 4.454 4.320 -0.000 0.000 0.214 1144 A C 1.897 179.533 177.584 0.085 0.000 1.192 1144 A CA 1.207 53.294 52.037 0.084 0.000 0.611 1144 A CB -1.134 17.924 19.000 0.098 0.000 0.832 1144 A HN 0.527 nan 8.150 nan 0.000 0.442 1145 F N 0.787 120.737 119.950 0.001 0.000 2.069 1145 F HA -0.266 4.261 4.527 -0.000 0.000 0.298 1145 F C 2.530 178.361 175.800 0.052 0.000 1.113 1145 F CA 1.813 59.821 58.000 0.014 0.000 1.214 1145 F CB -0.694 38.284 39.000 -0.037 0.000 0.978 1145 F HN 0.315 nan 8.300 nan 0.000 0.474 1146 C N 0.436 119.855 119.300 0.198 0.000 2.403 1146 C HA -0.172 4.288 4.460 -0.000 0.000 0.279 1146 C C 3.106 178.083 174.990 -0.021 0.000 1.269 1146 C CA 1.041 60.114 59.018 0.091 0.000 1.774 1146 C CB -2.052 25.764 27.740 0.128 0.000 1.993 1146 C HN 0.629 nan 8.230 nan 0.000 0.496 1147 A N 1.194 123.940 122.820 -0.124 0.000 1.897 1147 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 1147 A C 2.297 179.706 177.584 -0.291 0.000 1.181 1147 A CA 2.035 53.832 52.037 -0.400 0.000 0.620 1147 A CB -0.768 17.796 19.000 -0.727 0.000 0.821 1147 A HN 0.680 nan 8.150 nan 0.000 0.443 1148 S N -1.129 114.440 115.700 -0.218 0.000 2.428 1148 S HA -0.185 4.285 4.470 -0.000 0.000 0.230 1148 S C 1.713 176.216 174.600 -0.162 0.000 1.014 1148 S CA 1.279 59.383 58.200 -0.159 0.000 0.957 1148 S CB -0.821 62.281 63.200 -0.164 0.000 0.784 1148 S HN 0.733 nan 8.310 nan 0.000 0.499 1149 H N 1.509 120.378 119.070 -0.336 0.000 2.518 1149 H HA -0.010 4.546 4.556 -0.000 0.000 0.292 1149 H C 1.717 176.979 175.328 -0.110 0.000 1.068 1149 H CA 1.735 57.609 56.048 -0.290 0.000 1.275 1149 H CB -0.436 29.138 29.762 -0.312 0.000 1.375 1149 H HN 0.411 nan 8.280 nan 0.000 0.563 1150 T N -0.114 114.484 114.554 0.073 0.000 2.833 1150 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 1150 T C 1.662 176.378 174.700 0.026 0.000 1.054 1150 T CA 1.528 63.683 62.100 0.093 0.000 1.135 1150 T CB -0.016 68.949 68.868 0.162 0.000 0.869 1150 T HN 0.274 nan 8.240 nan 0.000 0.466 1151 K N 0.546 120.937 120.400 -0.015 0.000 2.400 1151 K HA 0.217 4.537 4.320 -0.000 0.000 0.194 1151 K C 1.973 178.522 176.600 -0.085 0.000 1.033 1151 K CA 0.036 56.303 56.287 -0.034 0.000 1.021 1151 K CB -0.359 32.127 32.500 -0.022 0.000 0.808 1151 K HN 0.114 nan 8.250 nan 0.000 0.505 1152 V N 1.782 121.587 119.914 -0.182 0.000 2.252 1152 V HA -0.241 3.879 4.120 -0.000 0.000 0.249 1152 V C -0.934 175.081 176.094 -0.132 0.000 1.056 1152 V CA 2.051 64.207 62.300 -0.240 0.000 1.022 1152 V CB -1.027 30.448 31.823 -0.580 0.000 0.641 1152 V HN 0.201 nan 8.190 nan 0.000 0.445 1153 P HA -0.229 nan 4.420 nan 0.000 0.213 1153 P C 1.768 179.063 177.300 -0.008 0.000 1.170 1153 P CA 1.756 64.838 63.100 -0.030 0.000 0.902 1153 P CB -0.110 31.588 31.700 -0.003 0.000 0.789 1154 K N -0.184 120.209 120.400 -0.012 0.000 2.113 1154 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 1154 K C 1.746 178.346 176.600 0.000 0.000 1.047 1154 K CA 1.538 57.822 56.287 -0.004 0.000 0.928 1154 K CB -0.519 31.976 32.500 -0.010 0.000 0.716 1154 K HN -0.061 nan 8.250 nan 0.000 0.446 1155 V N 1.482 121.392 119.914 -0.007 0.000 2.323 1155 V HA -0.209 3.910 4.120 -0.000 0.000 0.244 1155 V C 2.266 178.395 176.094 0.058 0.000 1.041 1155 V CA 1.431 63.730 62.300 -0.002 0.000 1.025 1155 V CB -0.319 31.494 31.823 -0.016 0.000 0.656 1155 V HN 0.326 nan 8.190 nan 0.000 0.451 1156 L N 0.006 121.281 121.223 0.086 0.000 2.191 1156 L HA -0.088 4.251 4.340 -0.000 0.000 0.212 1156 L C 1.950 178.918 176.870 0.162 0.000 1.103 1156 L CA 0.828 55.773 54.840 0.174 0.000 0.769 1156 L CB -0.467 41.647 42.059 0.092 0.000 0.908 1156 L HN 0.230 nan 8.230 nan 0.000 0.438 1157 V N 0.077 120.045 119.914 0.091 0.000 3.611 1157 V HA -0.130 3.990 4.120 -0.000 0.000 0.281 1157 V C 1.977 178.120 176.094 0.082 0.000 1.247 1157 V CA 0.928 63.271 62.300 0.072 0.000 1.198 1157 V CB -0.662 31.184 31.823 0.040 0.000 0.977 1157 V HN 0.385 nan 8.190 nan 0.000 0.445 1158 K N 0.589 121.067 120.400 0.130 0.000 2.352 1158 K HA 0.171 4.491 4.320 -0.000 0.000 0.194 1158 K C 2.097 178.833 176.600 0.227 0.000 1.038 1158 K CA 0.823 57.174 56.287 0.107 0.000 1.023 1158 K CB 0.106 32.607 32.500 0.001 0.000 0.840 1158 K HN 0.418 nan 8.250 nan 0.000 0.519 1159 A N 1.715 124.755 122.820 0.367 0.000 1.969 1159 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 1159 A C 1.702 179.339 177.584 0.089 0.000 1.169 1159 A CA 1.091 53.293 52.037 0.274 0.000 0.635 1159 A CB -0.206 18.774 19.000 -0.034 0.000 0.810 1159 A HN 0.120 nan 8.150 nan 0.000 0.445 1160 K N -0.290 120.153 120.400 0.073 0.000 2.360 1160 K HA -0.075 4.245 4.320 -0.000 0.000 0.201 1160 K C 1.567 178.187 176.600 0.034 0.000 1.046 1160 K CA 1.617 57.926 56.287 0.037 0.000 0.945 1160 K CB -0.408 32.112 32.500 0.034 0.000 0.750 1160 K HN 0.562 nan 8.250 nan 0.000 0.464 1161 T N 0.569 115.152 114.554 0.049 0.000 3.031 1161 T HA 0.010 4.360 4.350 -0.000 0.000 0.236 1161 T C 0.246 174.962 174.700 0.027 0.000 1.005 1161 T CA 0.182 62.301 62.100 0.032 0.000 1.230 1161 T CB 0.067 68.951 68.868 0.027 0.000 0.913 1161 T HN 0.084 nan 8.240 nan 0.000 0.419 1162 D N 3.177 123.599 120.400 0.038 0.000 2.359 1162 D HA 0.123 4.763 4.640 -0.000 0.000 0.250 1162 D C 1.373 177.665 176.300 -0.012 0.000 1.264 1162 D CA 0.152 54.157 54.000 0.009 0.000 0.911 1162 D CB 1.351 42.140 40.800 -0.019 0.000 1.056 1162 D HN 0.462 nan 8.370 nan 0.000 0.499 1163 T N 0.053 114.600 114.554 -0.012 0.000 2.721 1163 T HA -0.280 4.070 4.350 -0.000 0.000 0.268 1163 T C 1.918 176.590 174.700 -0.047 0.000 1.038 1163 T CA 1.231 63.320 62.100 -0.019 0.000 1.145 1163 T CB -0.007 68.862 68.868 0.001 0.000 0.858 1163 T HN 0.340 nan 8.240 nan 0.000 0.459 1164 A N 1.279 124.062 122.820 -0.063 0.000 1.865 1164 A HA 0.053 4.373 4.320 -0.000 0.000 0.217 1164 A C 2.074 179.392 177.584 -0.442 0.000 1.191 1164 A CA 1.735 53.719 52.037 -0.089 0.000 0.623 1164 A CB -1.231 17.793 19.000 0.040 0.000 0.826 1164 A HN 0.508 nan 8.150 nan 0.000 0.444 1165 F N 1.128 120.483 119.950 -0.991 0.000 2.051 1165 F HA -0.160 4.367 4.527 -0.000 0.000 0.296 1165 F C 2.170 177.790 175.800 -0.300 0.000 1.122 1165 F CA 2.324 59.653 58.000 -1.118 0.000 1.201 1165 F CB -0.587 37.997 39.000 -0.694 0.000 0.978 1165 F HN 0.217 nan 8.300 nan 0.000 0.472 1166 K N 1.045 121.260 120.400 -0.308 0.000 2.127 1166 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 1166 K C 2.034 178.529 176.600 -0.176 0.000 1.047 1166 K CA 1.804 57.926 56.287 -0.274 0.000 0.927 1166 K CB -1.051 31.377 32.500 -0.120 0.000 0.716 1166 K HN 0.331 nan 8.250 nan 0.000 0.450 1167 A N 0.050 122.818 122.820 -0.087 0.000 1.865 1167 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 1167 A C 2.199 179.819 177.584 0.061 0.000 1.191 1167 A CA 1.653 53.694 52.037 0.007 0.000 0.623 1167 A CB -1.038 18.004 19.000 0.070 0.000 0.826 1167 A HN 0.486 nan 8.150 nan 0.000 0.444 1168 F N 0.798 120.757 119.950 0.014 0.000 2.065 1168 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 1168 F C 1.979 177.780 175.800 0.003 0.000 1.112 1168 F CA 1.907 59.988 58.000 0.135 0.000 1.212 1168 F CB -0.482 38.831 39.000 0.521 0.000 0.975 1168 F HN 0.156 nan 8.300 nan 0.000 0.476 1169 L N -0.040 121.074 121.223 -0.183 0.000 2.012 1169 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 1169 L C 2.322 179.079 176.870 -0.188 0.000 1.073 1169 L CA 1.775 56.483 54.840 -0.220 0.000 0.748 1169 L CB -1.013 40.913 42.059 -0.222 0.000 0.891 1169 L HN 0.162 nan 8.230 nan 0.000 0.431 1170 D N 0.255 120.569 120.400 -0.143 0.000 2.123 1170 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 1170 D C 2.216 178.437 176.300 -0.132 0.000 0.992 1170 D CA 1.556 55.497 54.000 -0.097 0.000 0.833 1170 D CB -0.020 40.742 40.800 -0.065 0.000 0.954 1170 D HN 0.355 nan 8.370 nan 0.000 0.455 1171 A N 1.262 123.980 122.820 -0.170 0.000 1.940 1171 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 1171 A C 2.076 179.497 177.584 -0.273 0.000 1.176 1171 A CA 1.363 53.292 52.037 -0.180 0.000 0.631 1171 A CB -0.353 18.559 19.000 -0.148 0.000 0.814 1171 A HN 0.096 nan 8.150 nan 0.000 0.446 1172 Q N -0.474 119.048 119.800 -0.462 0.000 2.378 1172 Q HA -0.018 4.322 4.340 -0.000 0.000 0.205 1172 Q C 0.523 176.299 176.000 -0.375 0.000 0.954 1172 Q CA 0.663 56.117 55.803 -0.581 0.000 0.901 1172 Q CB -0.510 27.566 28.738 -1.104 0.000 0.981 1172 Q HN 0.837 nan 8.270 nan 0.000 0.483 1173 N N 1.438 120.024 118.700 -0.191 0.000 3.012 1173 N HA 0.097 4.837 4.740 -0.000 0.000 0.270 1173 N C -1.866 173.620 175.510 -0.040 0.000 1.469 1173 N CA -1.474 51.554 53.050 -0.037 0.000 0.928 1173 N CB 1.064 39.592 38.487 0.068 0.000 1.219 1173 N HN -0.129 nan 8.380 nan 0.000 0.492 1174 P HA -0.190 nan 4.420 nan 0.000 0.214 1174 P C 0.672 177.964 177.300 -0.014 0.000 1.163 1174 P CA 1.148 64.225 63.100 -0.038 0.000 0.883 1174 P CB 0.163 31.838 31.700 -0.042 0.000 0.788 1175 R N -0.535 119.964 120.500 -0.001 0.000 2.371 1175 R HA -0.082 4.258 4.340 -0.000 0.000 0.226 1175 R C 0.878 177.186 176.300 0.014 0.000 1.132 1175 R CA 0.398 56.504 56.100 0.009 0.000 1.027 1175 R CB -0.736 29.576 30.300 0.019 0.000 0.848 1175 R HN 0.240 nan 8.270 nan 0.000 0.479 1176 Q N 0.486 120.294 119.800 0.013 0.000 2.457 1176 Q HA -0.205 4.135 4.340 -0.000 0.000 0.283 1176 Q C -0.918 175.103 176.000 0.035 0.000 1.234 1176 Q CA 1.043 56.858 55.803 0.020 0.000 0.877 1176 Q CB -1.080 27.665 28.738 0.012 0.000 1.250 1176 Q HN 0.342 nan 8.270 nan 0.000 0.481 1177 Q N -1.052 118.773 119.800 0.042 0.000 2.307 1177 Q HA 0.229 4.569 4.340 -0.000 0.000 0.262 1177 Q C 0.631 176.670 176.000 0.064 0.000 0.961 1177 Q CA -0.185 55.650 55.803 0.053 0.000 0.882 1177 Q CB 1.076 29.836 28.738 0.037 0.000 1.264 1177 Q HN 0.325 nan 8.270 nan 0.000 0.446 1178 H N 1.624 120.692 119.070 -0.003 0.000 2.319 1178 H HA -0.153 4.403 4.556 -0.000 0.000 0.297 1178 H C 1.476 176.786 175.328 -0.030 0.000 1.097 1178 H CA 2.533 58.575 56.048 -0.010 0.000 1.285 1178 H CB 0.324 30.077 29.762 -0.015 0.000 1.368 1178 H HN 0.650 nan 8.280 nan 0.000 0.495 1179 S N -1.356 114.298 115.700 -0.076 0.000 2.571 1179 S HA -0.072 4.398 4.470 -0.000 0.000 0.245 1179 S C 1.505 175.960 174.600 -0.242 0.000 0.976 1179 S CA 1.002 59.100 58.200 -0.170 0.000 0.954 1179 S CB -0.120 63.039 63.200 -0.067 0.000 0.756 1179 S HN 0.369 nan 8.310 nan 0.000 0.535 1180 S N 1.015 116.636 115.700 -0.132 0.000 2.629 1180 S HA 0.189 4.659 4.470 -0.000 0.000 0.236 1180 S C 0.734 175.431 174.600 0.161 0.000 1.010 1180 S CA -0.001 58.210 58.200 0.019 0.000 0.981 1180 S CB 0.528 63.799 63.200 0.119 0.000 0.919 1180 S HN 0.841 nan 8.310 nan 0.000 0.514 1181 T N 0.475 115.004 114.554 -0.042 0.000 2.766 1181 T HA 0.314 4.664 4.350 -0.000 0.000 0.295 1181 T C 1.200 175.819 174.700 -0.135 0.000 1.024 1181 T CA -0.514 61.566 62.100 -0.033 0.000 1.018 1181 T CB 0.385 69.166 68.868 -0.145 0.000 1.002 1181 T HN -0.020 nan 8.240 nan 0.000 0.532 1182 L N 0.286 121.298 121.223 -0.352 0.000 2.083 1182 L HA 0.049 4.389 4.340 -0.000 0.000 0.209 1182 L C 2.630 179.382 176.870 -0.198 0.000 1.083 1182 L CA 1.911 56.405 54.840 -0.576 0.000 0.752 1182 L CB -1.189 40.538 42.059 -0.553 0.000 0.899 1182 L HN 0.960 nan 8.230 nan 0.000 0.433 1183 E N -1.468 118.651 120.200 -0.134 0.000 2.153 1183 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 1183 E C 2.169 178.739 176.600 -0.051 0.000 0.988 1183 E CA 1.068 57.435 56.400 -0.056 0.000 0.811 1183 E CB -0.037 29.646 29.700 -0.027 0.000 0.746 1183 E HN 0.544 nan 8.360 nan 0.000 0.466 1184 S N -1.136 114.456 115.700 -0.180 0.000 2.428 1184 S HA -0.104 4.366 4.470 -0.000 0.000 0.230 1184 S C 1.532 176.011 174.600 -0.201 0.000 1.014 1184 S CA 0.694 58.750 58.200 -0.239 0.000 0.957 1184 S CB -0.140 62.808 63.200 -0.420 0.000 0.784 1184 S HN 0.388 nan 8.310 nan 0.000 0.499 1185 Y N 1.273 121.529 120.300 -0.074 0.000 2.176 1185 Y HA 0.227 4.777 4.550 -0.000 0.000 0.291 1185 Y C 1.977 177.921 175.900 0.073 0.000 1.122 1185 Y CA 0.847 58.935 58.100 -0.019 0.000 1.128 1185 Y CB -0.217 38.196 38.460 -0.080 0.000 1.005 1185 Y HN 0.140 nan 8.280 nan 0.000 0.509 1186 L N -0.203 121.179 121.223 0.265 0.000 2.651 1186 L HA -0.179 4.160 4.340 -0.000 0.000 0.236 1186 L C 1.608 178.824 176.870 0.577 0.000 1.173 1186 L CA 0.756 55.846 54.840 0.416 0.000 0.843 1186 L CB -0.299 41.912 42.059 0.254 0.000 0.964 1186 L HN 0.335 nan 8.230 nan 0.000 0.454 1187 I N -1.163 119.613 120.570 0.342 0.000 3.939 1187 I HA -0.053 4.117 4.170 -0.000 0.000 0.313 1187 I C 2.113 178.315 176.117 0.141 0.000 1.274 1187 I CA 0.737 62.170 61.300 0.222 0.000 1.301 1187 I CB -0.033 38.042 38.000 0.125 0.000 1.105 1187 I HN -0.018 nan 8.210 nan 0.000 0.427 1188 K N 1.132 121.624 120.400 0.152 0.000 2.044 1188 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 1188 K C -0.549 176.145 176.600 0.157 0.000 1.049 1188 K CA 2.092 58.467 56.287 0.146 0.000 0.927 1188 K CB -1.495 31.145 32.500 0.234 0.000 0.713 1188 K HN 0.315 nan 8.250 nan 0.000 0.443 1189 P HA -0.168 nan 4.420 nan 0.000 0.215 1189 P C 1.253 178.678 177.300 0.208 0.000 1.157 1189 P CA 1.276 64.499 63.100 0.205 0.000 0.874 1189 P CB -0.013 31.443 31.700 -0.407 0.000 0.790 1190 I N -1.034 119.640 120.570 0.173 0.000 2.423 1190 I HA -0.272 3.898 4.170 -0.000 0.000 0.254 1190 I C 2.276 178.387 176.117 -0.011 0.000 1.151 1190 I CA 1.516 62.889 61.300 0.121 0.000 1.421 1190 I CB -0.620 37.408 38.000 0.047 0.000 1.079 1190 I HN 0.081 nan 8.210 nan 0.000 0.431 1191 Q N -0.047 119.720 119.800 -0.055 0.000 2.123 1191 Q HA -0.128 4.211 4.340 -0.000 0.000 0.196 1191 Q C 2.258 178.100 176.000 -0.264 0.000 0.958 1191 Q CA 0.575 56.301 55.803 -0.129 0.000 0.841 1191 Q CB -0.141 28.536 28.738 -0.102 0.000 0.915 1191 Q HN 0.217 nan 8.270 nan 0.000 0.455 1192 R N 1.525 121.801 120.500 -0.374 0.000 2.080 1192 R HA -0.159 4.181 4.340 -0.000 0.000 0.236 1192 R C 2.220 178.004 176.300 -0.861 0.000 1.137 1192 R CA 2.045 57.724 56.100 -0.702 0.000 0.943 1192 R CB -1.091 28.512 30.300 -1.160 0.000 0.846 1192 R HN 0.286 nan 8.270 nan 0.000 0.431 1193 V N -1.036 118.510 119.914 -0.612 0.000 2.282 1193 V HA -0.197 3.923 4.120 -0.000 0.000 0.249 1193 V C 2.020 177.858 176.094 -0.428 0.000 1.057 1193 V CA 1.719 63.671 62.300 -0.580 0.000 1.032 1193 V CB -0.946 30.527 31.823 -0.583 0.000 0.645 1193 V HN 0.142 nan 8.190 nan 0.000 0.447 1194 L N -0.137 120.894 121.223 -0.320 0.000 2.549 1194 L HA 0.016 4.356 4.340 -0.000 0.000 0.230 1194 L C 2.364 179.090 176.870 -0.240 0.000 1.162 1194 L CA 1.324 56.029 54.840 -0.225 0.000 0.834 1194 L CB -1.337 40.629 42.059 -0.154 0.000 0.947 1194 L HN 0.385 nan 8.230 nan 0.000 0.452 1195 K N -1.666 118.514 120.400 -0.368 0.000 2.211 1195 K HA 0.015 4.334 4.320 -0.000 0.000 0.201 1195 K C 2.130 178.590 176.600 -0.234 0.000 1.052 1195 K CA 0.669 56.768 56.287 -0.312 0.000 0.973 1195 K CB -0.251 32.017 32.500 -0.386 0.000 0.766 1195 K HN 0.299 nan 8.250 nan 0.000 0.466 1196 Y N 2.218 122.394 120.300 -0.207 0.000 2.053 1196 Y HA -0.213 4.337 4.550 -0.000 0.000 0.277 1196 Y C -0.384 175.330 175.900 -0.310 0.000 1.159 1196 Y CA 1.280 59.234 58.100 -0.243 0.000 1.125 1196 Y CB -1.510 36.767 38.460 -0.305 0.000 0.969 1196 Y HN 0.132 nan 8.280 nan 0.000 0.492 1197 P HA -0.187 nan 4.420 nan 0.000 0.218 1197 P C 1.343 178.563 177.300 -0.134 0.000 1.148 1197 P CA 1.599 64.593 63.100 -0.176 0.000 0.822 1197 P CB -0.153 31.454 31.700 -0.154 0.000 0.784 1198 L N -1.119 120.043 121.223 -0.102 0.000 2.027 1198 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 1198 L C 2.899 179.739 176.870 -0.050 0.000 1.074 1198 L CA 1.234 56.031 54.840 -0.072 0.000 0.745 1198 L CB -1.036 40.980 42.059 -0.071 0.000 0.898 1198 L HN -0.091 nan 8.230 nan 0.000 0.433 1199 L N -0.488 120.711 121.223 -0.039 0.000 2.046 1199 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 1199 L C 2.550 179.409 176.870 -0.017 0.000 1.077 1199 L CA 1.164 56.004 54.840 -0.001 0.000 0.747 1199 L CB -0.421 41.676 42.059 0.065 0.000 0.896 1199 L HN 0.254 nan 8.230 nan 0.000 0.432 1200 L N -0.697 120.471 121.223 -0.091 0.000 2.046 1200 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 1200 L C 2.794 179.637 176.870 -0.044 0.000 1.077 1200 L CA 1.263 56.031 54.840 -0.121 0.000 0.747 1200 L CB -0.526 41.361 42.059 -0.287 0.000 0.896 1200 L HN 0.213 nan 8.230 nan 0.000 0.432 1201 R N -0.324 120.144 120.500 -0.052 0.000 2.200 1201 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 1201 R C 2.085 178.457 176.300 0.120 0.000 1.127 1201 R CA 0.806 56.927 56.100 0.035 0.000 0.989 1201 R CB -0.153 30.148 30.300 0.001 0.000 0.869 1201 R HN 0.392 nan 8.270 nan 0.000 0.459 1202 E N 0.772 121.007 120.200 0.058 0.000 2.076 1202 E HA -0.076 4.273 4.350 -0.000 0.000 0.190 1202 E C 2.145 178.780 176.600 0.058 0.000 0.979 1202 E CA 0.765 57.195 56.400 0.050 0.000 0.807 1202 E CB -0.103 29.609 29.700 0.020 0.000 0.761 1202 E HN 0.322 nan 8.360 nan 0.000 0.454 1203 L N 0.097 121.358 121.223 0.063 0.000 2.046 1203 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 1203 L C 2.462 179.403 176.870 0.118 0.000 1.077 1203 L CA 0.909 55.784 54.840 0.058 0.000 0.747 1203 L CB -0.482 41.616 42.059 0.064 0.000 0.896 1203 L HN 0.050 nan 8.230 nan 0.000 0.432 1204 F N 1.290 121.223 119.950 -0.028 0.000 2.095 1204 F HA -0.265 4.262 4.527 -0.000 0.000 0.298 1204 F C 2.428 178.270 175.800 0.069 0.000 1.104 1204 F CA 1.346 59.329 58.000 -0.028 0.000 1.232 1204 F CB -0.377 38.564 39.000 -0.099 0.000 0.987 1204 F HN 0.004 nan 8.300 nan 0.000 0.475 1205 A N -0.208 122.632 122.820 0.034 0.000 2.121 1205 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 1205 A C 2.007 179.549 177.584 -0.069 0.000 1.154 1205 A CA 1.225 53.226 52.037 -0.061 0.000 0.679 1205 A CB -0.974 18.035 19.000 0.015 0.000 0.795 1205 A HN 0.475 nan 8.150 nan 0.000 0.458 1206 L N 0.413 121.611 121.223 -0.041 0.000 2.628 1206 L HA 0.102 4.442 4.340 -0.000 0.000 0.229 1206 L C 0.541 177.382 176.870 -0.047 0.000 1.137 1206 L CA 0.299 55.109 54.840 -0.051 0.000 0.909 1206 L CB -0.185 41.837 42.059 -0.062 0.000 1.137 1206 L HN 0.434 nan 8.230 nan 0.000 0.470 1207 T N -4.493 110.041 114.554 -0.034 0.000 2.855 1207 T HA 0.266 4.615 4.350 -0.000 0.000 0.281 1207 T C -0.302 174.332 174.700 -0.111 0.000 1.007 1207 T CA -0.885 61.214 62.100 -0.003 0.000 1.009 1207 T CB 2.301 71.234 68.868 0.110 0.000 0.983 1207 T HN -0.110 nan 8.240 nan 0.000 0.455 1208 D N 1.516 121.844 120.400 -0.120 0.000 2.533 1208 D HA 0.121 4.761 4.640 -0.000 0.000 0.236 1208 D C 1.384 177.406 176.300 -0.462 0.000 1.137 1208 D CA 0.224 54.097 54.000 -0.211 0.000 0.867 1208 D CB 0.838 41.572 40.800 -0.110 0.000 1.170 1208 D HN 0.739 nan 8.370 nan 0.000 0.474 1209 A N 4.588 127.034 122.820 -0.624 0.000 2.131 1209 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 1209 A C 1.587 178.926 177.584 -0.409 0.000 1.158 1209 A CA 1.112 52.601 52.037 -0.913 0.000 0.665 1209 A CB -0.106 18.606 19.000 -0.479 0.000 0.795 1209 A HN 0.602 nan 8.150 nan 0.000 0.460 1210 E N 0.165 120.236 120.200 -0.215 0.000 2.476 1210 E HA 0.057 4.407 4.350 -0.000 0.000 0.199 1210 E C 0.820 177.409 176.600 -0.018 0.000 1.021 1210 E CA 0.594 56.950 56.400 -0.074 0.000 0.907 1210 E CB 0.015 29.677 29.700 -0.062 0.000 0.974 1210 E HN 0.678 nan 8.360 nan 0.000 0.489 1211 S N 0.711 116.402 115.700 -0.015 0.000 2.624 1211 S HA 0.178 4.648 4.470 -0.000 0.000 0.263 1211 S C 1.090 175.734 174.600 0.072 0.000 1.287 1211 S CA -0.518 57.699 58.200 0.028 0.000 0.990 1211 S CB 1.635 64.851 63.200 0.027 0.000 0.950 1211 S HN -0.138 nan 8.310 nan 0.000 0.561 1212 E N 0.890 121.090 120.200 -0.001 0.000 2.112 1212 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 1212 E C 1.842 178.253 176.600 -0.315 0.000 0.979 1212 E CA 0.879 57.194 56.400 -0.143 0.000 0.814 1212 E CB -0.406 29.176 29.700 -0.198 0.000 0.762 1212 E HN 0.730 nan 8.360 nan 0.000 0.460 1213 E N 0.203 120.346 120.200 -0.095 0.000 2.070 1213 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 1213 E C 1.936 178.619 176.600 0.137 0.000 1.004 1213 E CA 1.470 57.901 56.400 0.052 0.000 0.805 1213 E CB -0.530 29.248 29.700 0.130 0.000 0.744 1213 E HN 0.368 nan 8.360 nan 0.000 0.451 1214 H N -0.917 118.193 119.070 0.066 0.000 2.253 1214 H HA -0.200 4.356 4.556 -0.000 0.000 0.296 1214 H C 1.951 177.461 175.328 0.304 0.000 1.074 1214 H CA 2.100 58.240 56.048 0.153 0.000 1.263 1214 H CB -0.564 29.221 29.762 0.037 0.000 1.363 1214 H HN 0.274 nan 8.280 nan 0.000 0.489 1215 Y N 0.708 121.119 120.300 0.186 0.000 2.151 1215 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 1215 Y C 2.390 178.391 175.900 0.168 0.000 1.166 1215 Y CA 2.383 60.569 58.100 0.144 0.000 1.163 1215 Y CB -0.815 37.715 38.460 0.117 0.000 0.974 1215 Y HN 0.498 nan 8.280 nan 0.000 0.511 1216 H N -0.762 118.245 119.070 -0.105 0.000 2.293 1216 H HA -0.169 4.387 4.556 -0.000 0.000 0.300 1216 H C 2.340 177.528 175.328 -0.234 0.000 1.082 1216 H CA 1.314 57.226 56.048 -0.227 0.000 1.308 1216 H CB -0.270 29.488 29.762 -0.007 0.000 1.375 1216 H HN 0.309 nan 8.280 nan 0.000 0.495 1217 L N 0.398 121.643 121.223 0.035 0.000 2.012 1217 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 1217 L C 2.311 179.012 176.870 -0.280 0.000 1.073 1217 L CA 1.494 56.307 54.840 -0.046 0.000 0.748 1217 L CB -0.342 41.791 42.059 0.124 0.000 0.891 1217 L HN 0.310 nan 8.230 nan 0.000 0.431 1218 D N -0.403 119.772 120.400 -0.375 0.000 2.158 1218 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 1218 D C 2.036 178.096 176.300 -0.400 0.000 0.995 1218 D CA 1.114 54.770 54.000 -0.573 0.000 0.846 1218 D CB 0.148 40.735 40.800 -0.354 0.000 0.941 1218 D HN 0.062 nan 8.370 nan 0.000 0.456 1219 V N 0.476 120.157 119.914 -0.388 0.000 2.358 1219 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 1219 V C 2.568 178.520 176.094 -0.238 0.000 1.047 1219 V CA 1.634 63.740 62.300 -0.323 0.000 1.035 1219 V CB -0.915 30.673 31.823 -0.392 0.000 0.658 1219 V HN 0.330 nan 8.190 nan 0.000 0.452 1220 A N 0.018 122.703 122.820 -0.225 0.000 1.902 1220 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 1220 A C 2.195 179.638 177.584 -0.235 0.000 1.181 1220 A CA 1.935 53.867 52.037 -0.175 0.000 0.623 1220 A CB -0.513 18.407 19.000 -0.133 0.000 0.818 1220 A HN 0.498 nan 8.150 nan 0.000 0.443 1221 I N -0.913 119.478 120.570 -0.298 0.000 2.113 1221 I HA -0.251 3.918 4.170 -0.000 0.000 0.238 1221 I C 2.457 178.432 176.117 -0.236 0.000 1.070 1221 I CA 1.683 62.797 61.300 -0.310 0.000 1.332 1221 I CB -0.320 37.433 38.000 -0.411 0.000 1.044 1221 I HN 0.138 nan 8.210 nan 0.000 0.402 1222 K N 0.672 120.939 120.400 -0.223 0.000 2.089 1222 K HA -0.103 4.217 4.320 -0.000 0.000 0.210 1222 K C 1.065 177.596 176.600 -0.115 0.000 1.048 1222 K CA 0.982 57.178 56.287 -0.153 0.000 0.926 1222 K CB -0.908 31.513 32.500 -0.132 0.000 0.714 1222 K HN 0.333 nan 8.250 nan 0.000 0.448 1226 K N 1.475 121.857 120.400 -0.030 0.000 2.097 1226 K HA 0.043 4.362 4.320 -0.000 0.000 0.206 1226 K C 1.736 178.367 176.600 0.051 0.000 1.049 1226 K CA 1.425 57.718 56.287 0.009 0.000 0.933 1226 K CB 0.073 32.571 32.500 -0.003 0.000 0.717 1226 K HN -0.061 nan 8.250 nan 0.000 0.442 1227 V N 1.532 121.464 119.914 0.031 0.000 2.255 1227 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 1227 V C 2.417 178.555 176.094 0.072 0.000 1.051 1227 V CA 2.134 64.477 62.300 0.071 0.000 1.018 1227 V CB -0.840 31.000 31.823 0.028 0.000 0.641 1227 V HN 0.372 nan 8.190 nan 0.000 0.445 1228 A N -0.524 122.293 122.820 -0.005 0.000 1.851 1228 A HA -0.287 4.032 4.320 -0.000 0.000 0.216 1228 A C 2.571 180.165 177.584 0.016 0.000 1.195 1228 A CA 2.543 54.567 52.037 -0.021 0.000 0.622 1228 A CB -1.123 17.842 19.000 -0.059 0.000 0.831 1228 A HN 0.475 nan 8.150 nan 0.000 0.444 1229 S N -1.495 114.220 115.700 0.024 0.000 2.387 1229 S HA -0.283 4.187 4.470 -0.000 0.000 0.230 1229 S C 1.994 176.635 174.600 0.068 0.000 1.035 1229 S CA 2.061 60.284 58.200 0.037 0.000 1.014 1229 S CB -0.523 62.699 63.200 0.036 0.000 0.836 1229 S HN 0.818 nan 8.310 nan 0.000 0.466 1230 H N 0.967 120.053 119.070 0.027 0.000 2.389 1230 H HA 0.063 4.619 4.556 -0.000 0.000 0.299 1230 H C 1.891 177.256 175.328 0.063 0.000 1.081 1230 H CA 1.902 57.980 56.048 0.050 0.000 1.345 1230 H CB -0.286 29.505 29.762 0.048 0.000 1.393 1230 H HN 0.343 nan 8.280 nan 0.000 0.520 1231 I N 0.704 121.257 120.570 -0.030 0.000 2.226 1231 I HA -0.242 3.927 4.170 -0.000 0.000 0.245 1231 I C 2.184 178.267 176.117 -0.057 0.000 1.100 1231 I CA 1.410 62.687 61.300 -0.039 0.000 1.374 1231 I CB -1.309 36.724 38.000 0.056 0.000 1.057 1231 I HN 0.382 nan 8.210 nan 0.000 0.413 1232 N N 0.833 119.517 118.700 -0.027 0.000 2.084 1232 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 1232 N C 1.069 176.566 175.510 -0.022 0.000 1.030 1232 N CA 0.893 53.936 53.050 -0.012 0.000 0.849 1232 N CB -0.019 38.467 38.487 -0.001 0.000 1.012 1232 N HN 0.275 nan 8.380 nan 0.000 0.423 1236 K N 0.833 121.265 120.400 0.052 0.000 2.103 1236 K HA -0.092 4.227 4.320 -0.000 0.000 0.207 1236 K C 1.658 178.299 176.600 0.067 0.000 1.048 1236 K CA 1.812 58.125 56.287 0.044 0.000 0.930 1236 K CB -0.181 32.338 32.500 0.032 0.000 0.716 1236 K HN 0.389 nan 8.250 nan 0.000 0.444 1237 I N 0.109 120.735 120.570 0.092 0.000 2.202 1237 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 1237 I C 2.515 178.751 176.117 0.197 0.000 1.091 1237 I CA 1.447 62.857 61.300 0.183 0.000 1.368 1237 I CB -0.444 37.641 38.000 0.141 0.000 1.058 1237 I HN 0.341 nan 8.210 nan 0.000 0.410 1238 H N 1.343 120.469 119.070 0.094 0.000 2.352 1238 H HA -0.191 4.365 4.556 -0.000 0.000 0.299 1238 H C 2.053 177.369 175.328 -0.019 0.000 1.097 1238 H CA 1.966 58.053 56.048 0.064 0.000 1.311 1238 H CB -0.024 29.784 29.762 0.076 0.000 1.377 1238 H HN 0.305 nan 8.280 nan 0.000 0.504 1239 E N -0.246 119.894 120.200 -0.100 0.000 2.085 1239 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 1239 E C 2.173 178.618 176.600 -0.258 0.000 0.994 1239 E CA 1.383 57.671 56.400 -0.187 0.000 0.801 1239 E CB -0.023 29.636 29.700 -0.069 0.000 0.743 1239 E HN 0.706 nan 8.360 nan 0.000 0.453 1240 E N -0.590 119.474 120.200 -0.227 0.000 2.170 1240 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 1240 E C 0.977 177.130 176.600 -0.745 0.000 0.981 1240 E CA 0.647 56.789 56.400 -0.430 0.000 0.830 1240 E CB 0.210 29.667 29.700 -0.405 0.000 0.775 1240 E HN 0.178 nan 8.360 nan 0.000 0.470 1241 F N -0.967 118.683 119.950 -0.500 0.000 2.706 1241 F HA 0.374 4.901 4.527 -0.000 0.000 0.313 1241 F C 1.859 177.024 175.800 -1.057 0.000 1.096 1241 F CA 0.112 57.584 58.000 -0.881 0.000 1.219 1241 F CB 0.354 38.461 39.000 -1.489 0.000 1.051 1241 F HN 0.061 nan 8.300 nan 0.000 0.568 1242 G N 1.012 109.461 108.800 -0.585 0.000 2.556 1242 G HA2 -0.356 3.603 3.960 -0.000 0.000 0.220 1242 G HA3 -0.356 3.603 3.960 -0.000 0.000 0.220 1242 G C 1.958 176.713 174.900 -0.242 0.000 1.156 1242 G CA 1.331 46.197 45.100 -0.390 0.000 0.766 1242 G HN 0.409 nan 8.290 nan 0.000 0.583 1243 A N 0.052 122.710 122.820 -0.271 0.000 1.859 1243 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 1243 A C 2.664 180.179 177.584 -0.114 0.000 1.209 1243 A CA 2.642 54.585 52.037 -0.157 0.000 0.639 1243 A CB -1.059 17.848 19.000 -0.155 0.000 0.835 1243 A HN 0.432 nan 8.150 nan 0.000 0.450 1244 V N -0.710 119.108 119.914 -0.160 0.000 2.282 1244 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 1244 V C 2.391 178.501 176.094 0.026 0.000 1.057 1244 V CA 2.279 64.533 62.300 -0.078 0.000 1.032 1244 V CB -1.149 30.647 31.823 -0.045 0.000 0.645 1244 V HN 0.624 nan 8.190 nan 0.000 0.447 1245 F N 0.074 119.971 119.950 -0.089 0.000 2.120 1245 F HA -0.243 4.283 4.527 -0.000 0.000 0.300 1245 F C 2.548 178.262 175.800 -0.142 0.000 1.095 1245 F CA 1.277 59.178 58.000 -0.164 0.000 1.249 1245 F CB -0.386 38.518 39.000 -0.161 0.000 0.995 1245 F HN 0.255 nan 8.300 nan 0.000 0.480 1246 D N -0.016 120.441 120.400 0.095 0.000 2.097 1246 D HA -0.158 4.482 4.640 -0.000 0.000 0.195 1246 D C 2.263 178.556 176.300 -0.011 0.000 0.989 1246 D CA 0.996 55.013 54.000 0.028 0.000 0.827 1246 D CB -0.487 40.325 40.800 0.020 0.000 0.966 1246 D HN 0.259 nan 8.370 nan 0.000 0.456 1247 Q N 0.419 120.207 119.800 -0.021 0.000 2.135 1247 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 1247 Q C 2.631 178.589 176.000 -0.069 0.000 0.981 1247 Q CA 0.622 56.398 55.803 -0.046 0.000 0.856 1247 Q CB -0.425 28.274 28.738 -0.064 0.000 0.902 1247 Q HN 0.415 nan 8.270 nan 0.000 0.425 1248 L N -0.208 120.972 121.223 -0.072 0.000 2.056 1248 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 1248 L C 2.278 179.078 176.870 -0.116 0.000 1.078 1248 L CA 0.516 55.289 54.840 -0.112 0.000 0.749 1248 L CB -0.409 41.572 42.059 -0.130 0.000 0.901 1248 L HN 0.187 nan 8.230 nan 0.000 0.433 1249 I N 0.146 120.653 120.570 -0.105 0.000 2.142 1249 I HA -0.158 4.012 4.170 -0.000 0.000 0.240 1249 I C 1.839 177.910 176.117 -0.076 0.000 1.078 1249 I CA 1.010 62.247 61.300 -0.105 0.000 1.343 1249 I CB -1.295 36.648 38.000 -0.096 0.000 1.046 1249 I HN 0.137 nan 8.210 nan 0.000 0.405 1250 A N -0.321 122.465 122.820 -0.057 0.000 2.260 1250 A HA 0.108 4.428 4.320 -0.000 0.000 0.278 1250 A C 1.374 178.929 177.584 -0.048 0.000 1.269 1250 A CA 0.432 52.443 52.037 -0.043 0.000 0.824 1250 A CB -0.019 18.962 19.000 -0.031 0.000 1.238 1250 A HN 0.495 nan 8.150 nan 0.000 0.507 1251 E N -1.860 118.319 120.200 -0.035 0.000 3.562 1251 E HA -0.295 4.055 4.350 -0.000 0.000 0.298 1251 E C 0.310 176.887 176.600 -0.039 0.000 0.830 1251 E CA 1.175 57.554 56.400 -0.035 0.000 1.013 1251 E CB -1.183 28.488 29.700 -0.048 0.000 1.510 1251 E HN 0.708 nan 8.360 nan 0.000 0.463 1252 Q N 1.468 121.241 119.800 -0.044 0.000 2.426 1252 Q HA -0.007 4.333 4.340 -0.000 0.000 0.253 1252 Q C -0.228 175.758 176.000 -0.023 0.000 1.313 1252 Q CA 0.913 56.689 55.803 -0.044 0.000 0.902 1252 Q CB -0.301 28.407 28.738 -0.051 0.000 1.563 1252 Q HN 0.333 nan 8.270 nan 0.000 0.517 1253 T N 1.212 115.757 114.554 -0.015 0.000 2.460 1253 T HA -0.215 4.134 4.350 -0.000 0.000 0.318 1253 T C 1.260 175.963 174.700 0.005 0.000 1.178 1253 T CA 0.364 62.465 62.100 0.003 0.000 3.928 1253 T CB -1.173 67.707 68.868 0.020 0.000 0.558 1253 T HN 0.992 nan 8.240 nan 0.000 0.199 1254 G N 1.872 110.673 108.800 0.002 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 0.118 175.017 174.900 -0.002 0.000 1.025 1254 G CA 0.830 45.931 45.100 0.001 0.000 0.638 1254 G HN 1.188 nan 8.290 nan 0.000 0.544 1255 E N 1.189 121.388 120.200 -0.003 0.000 2.459 1255 E HA 0.321 4.671 4.350 -0.000 0.000 0.264 1255 E C 0.771 177.363 176.600 -0.013 0.000 1.055 1255 E CA 0.454 56.851 56.400 -0.006 0.000 0.957 1255 E CB 0.213 29.909 29.700 -0.007 0.000 0.952 1255 E HN 0.440 nan 8.360 nan 0.000 0.448 1256 K N 3.798 124.190 120.400 -0.013 0.000 3.141 1256 K HA 0.141 4.461 4.320 -0.000 0.000 0.248 1256 K C -0.918 175.668 176.600 -0.023 0.000 1.282 1256 K CA -0.441 55.836 56.287 -0.017 0.000 1.251 1256 K CB 0.107 32.599 32.500 -0.014 0.000 1.533 1256 K HN 0.326 nan 8.250 nan 0.000 0.409 1257 K N 1.182 121.565 120.400 -0.028 0.000 5.420 1257 K HA -0.164 4.155 4.320 -0.000 0.000 0.407 1257 K C 0.450 177.029 176.600 -0.036 0.000 1.074 1257 K CA 0.277 56.542 56.287 -0.037 0.000 1.247 1257 K CB -0.930 31.547 32.500 -0.038 0.000 1.725 1257 K HN 0.418 nan 8.250 nan 0.000 0.408 1258 E N 1.139 121.318 120.200 -0.036 0.000 2.170 1258 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 1258 E C 1.317 177.890 176.600 -0.044 0.000 0.981 1258 E CA 1.435 57.817 56.400 -0.030 0.000 0.830 1258 E CB 0.473 30.162 29.700 -0.018 0.000 0.775 1258 E HN 0.331 nan 8.360 nan 0.000 0.470 1259 V N 0.476 120.351 119.914 -0.066 0.000 2.735 1259 V HA 0.243 4.363 4.120 -0.000 0.000 0.234 1259 V C 0.860 176.901 176.094 -0.089 0.000 1.121 1259 V CA 0.597 62.844 62.300 -0.089 0.000 1.160 1259 V CB -0.821 30.921 31.823 -0.135 0.000 0.908 1259 V HN 0.300 nan 8.190 nan 0.000 0.495 1260 A N 1.652 124.416 122.820 -0.094 0.000 2.203 1260 A HA -0.166 4.154 4.320 -0.000 0.000 0.279 1260 A C 0.151 177.682 177.584 -0.087 0.000 1.396 1260 A CA 1.442 53.429 52.037 -0.083 0.000 0.747 1260 A CB -1.627 17.337 19.000 -0.060 0.000 1.151 1260 A HN 1.078 nan 8.150 nan 0.000 0.345 1261 D N -0.925 119.401 120.400 -0.123 0.000 3.189 1261 D HA 0.127 4.767 4.640 -0.000 0.000 0.116 1261 D C -0.743 175.430 176.300 -0.211 0.000 0.855 1261 D CA -0.249 53.679 54.000 -0.121 0.000 1.864 1261 D CB -0.656 40.099 40.800 -0.074 0.000 1.879 1261 D HN 0.544 nan 8.370 nan 0.000 0.891 1262 L N 3.352 124.405 121.223 -0.284 0.000 2.784 1262 L HA 0.369 4.709 4.340 -0.000 0.000 0.241 1262 L C 0.838 177.581 176.870 -0.210 0.000 1.352 1262 L CA -0.538 53.941 54.840 -0.603 0.000 0.911 1262 L CB 0.595 42.025 42.059 -1.048 0.000 1.227 1262 L HN 0.466 nan 8.230 nan 0.000 0.501 1266 D N 0.757 121.230 120.400 0.122 0.000 2.462 1266 D HA 0.222 4.862 4.640 -0.000 0.000 0.221 1266 D C 0.178 176.493 176.300 0.025 0.000 1.173 1266 D CA -0.230 53.833 54.000 0.106 0.000 0.831 1266 D CB 1.601 42.490 40.800 0.149 0.000 1.001 1266 D HN 0.266 nan 8.370 nan 0.000 0.499 1267 L N 1.484 122.649 121.223 -0.096 0.000 2.325 1267 L HA 0.178 4.518 4.340 -0.000 0.000 0.284 1267 L C 0.840 177.629 176.870 -0.135 0.000 1.089 1267 L CA 0.064 54.661 54.840 -0.405 0.000 0.836 1267 L CB 0.418 42.228 42.059 -0.416 0.000 1.184 1267 L HN -0.092 nan 8.230 nan 0.000 0.444 1268 L N 5.265 126.403 121.223 -0.141 0.000 2.298 1268 L HA 0.265 4.605 4.340 -0.000 0.000 0.209 1268 L C 0.299 177.149 176.870 -0.033 0.000 1.084 1268 L CA 0.285 55.091 54.840 -0.056 0.000 0.816 1268 L CB -0.009 42.017 42.059 -0.054 0.000 0.967 1268 L HN 0.571 nan 8.230 nan 0.000 0.460 1269 L N -0.387 120.809 121.223 -0.045 0.000 2.612 1269 L HA 0.370 4.710 4.340 -0.000 0.000 0.256 1269 L C -1.883 174.979 176.870 -0.013 0.000 0.949 1269 L CA -0.757 54.064 54.840 -0.033 0.000 0.867 1269 L CB 2.063 44.104 42.059 -0.030 0.000 1.417 1269 L HN 0.183 nan 8.230 nan 0.000 0.414 1270 H N 0.539 119.557 119.070 -0.087 0.000 2.771 1270 H HA 0.895 5.451 4.556 -0.000 0.000 0.361 1270 H C -1.238 173.955 175.328 -0.225 0.000 1.108 1270 H CA 0.043 55.950 56.048 -0.234 0.000 1.201 1270 H CB 2.086 31.735 29.762 -0.189 0.000 1.681 1270 H HN 0.683 nan 8.280 nan 0.000 0.534 1271 T N 0.043 114.413 114.554 -0.306 0.000 2.821 1271 T HA 0.476 4.826 4.350 -0.000 0.000 0.306 1271 T C -0.808 173.728 174.700 -0.273 0.000 1.313 1271 T CA -1.059 60.882 62.100 -0.265 0.000 1.012 1271 T CB 1.423 70.143 68.868 -0.246 0.000 1.298 1271 T HN 0.663 nan 8.240 nan 0.000 0.502 1272 S N 0.063 115.656 115.700 -0.177 0.000 2.462 1272 S HA 0.744 5.214 4.470 -0.000 0.000 0.294 1272 S C -0.610 173.904 174.600 -0.142 0.000 1.144 1272 S CA -0.520 57.601 58.200 -0.131 0.000 1.088 1272 S CB 0.786 63.958 63.200 -0.047 0.000 1.009 1272 S HN 0.913 nan 8.310 nan 0.000 0.484 1273 V N 5.543 125.377 119.914 -0.134 0.000 3.130 1273 V HA 0.631 4.751 4.120 -0.000 0.000 0.310 1273 V C -1.196 174.894 176.094 -0.008 0.000 1.158 1273 V CA -0.995 61.231 62.300 -0.123 0.000 1.029 1273 V CB 2.188 33.856 31.823 -0.259 0.000 1.057 1273 V HN 0.913 nan 8.190 nan 0.000 0.436 1274 I N 3.039 123.631 120.570 0.036 0.000 2.336 1274 I HA 0.258 4.428 4.170 -0.000 0.000 0.292 1274 I C -1.083 175.163 176.117 0.215 0.000 0.991 1274 I CA -0.354 61.020 61.300 0.124 0.000 1.227 1274 I CB 1.422 39.482 38.000 0.100 0.000 1.366 1274 I HN 0.689 nan 8.210 nan 0.000 0.466 1275 W N 8.003 129.332 121.300 0.048 0.000 2.497 1275 W HA 0.298 4.957 4.660 -0.000 0.000 0.354 1275 W C 0.327 176.870 176.519 0.040 0.000 1.111 1275 W CA -0.747 56.630 57.345 0.053 0.000 1.510 1275 W CB 0.223 29.701 29.460 0.029 0.000 1.466 1275 W HN 0.533 nan 8.180 nan 0.000 0.409 1276 L N 4.251 125.677 121.223 0.339 0.000 2.156 1276 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 1276 L C 1.565 178.447 176.870 0.021 0.000 1.095 1276 L CA 0.989 55.913 54.840 0.140 0.000 0.770 1276 L CB -0.342 41.802 42.059 0.141 0.000 0.914 1276 L HN 0.368 nan 8.230 nan 0.000 0.439 1277 N N -0.138 118.590 118.700 0.047 0.000 2.806 1277 N HA 0.219 4.958 4.740 -0.000 0.000 0.315 1277 N C -2.732 172.410 175.510 -0.612 0.000 1.738 1277 N CA -1.347 51.634 53.050 -0.115 0.000 0.993 1277 N CB 0.009 38.621 38.487 0.208 0.000 1.324 1277 N HN 0.095 nan 8.380 nan 0.000 0.493 1278 P HA 0.244 nan 4.420 nan 0.000 0.274 1278 P C -2.332 174.440 177.300 -0.880 0.000 1.237 1278 P CA -0.726 61.348 63.100 -1.710 0.000 0.793 1278 P CB 0.341 31.254 31.700 -1.312 0.000 0.977 1279 P HA -0.014 nan 4.420 nan 0.000 0.269 1279 P C 0.779 177.907 177.300 -0.287 0.000 1.217 1279 P CA -0.038 62.836 63.100 -0.377 0.000 0.783 1279 P CB 0.360 31.906 31.700 -0.258 0.000 0.898 1280 A N 2.255 124.971 122.820 -0.174 0.000 1.948 1280 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 1280 A C 2.363 179.900 177.584 -0.080 0.000 1.177 1280 A CA 2.250 54.212 52.037 -0.125 0.000 0.636 1280 A CB -1.582 17.368 19.000 -0.083 0.000 0.815 1280 A HN 0.611 nan 8.150 nan 0.000 0.449 1281 S N -0.532 115.139 115.700 -0.048 0.000 2.351 1281 S HA -0.185 4.284 4.470 -0.000 0.000 0.220 1281 S C 1.903 176.549 174.600 0.077 0.000 1.035 1281 S CA 1.644 59.864 58.200 0.034 0.000 1.031 1281 S CB -0.567 62.642 63.200 0.015 0.000 0.928 1281 S HN 0.560 nan 8.310 nan 0.000 0.433 1282 L N 2.076 123.259 121.223 -0.066 0.000 1.988 1282 L HA 0.125 4.465 4.340 -0.000 0.000 0.207 1282 L C 2.404 179.223 176.870 -0.085 0.000 1.071 1282 L CA 2.263 57.042 54.840 -0.102 0.000 0.744 1282 L CB -1.547 40.329 42.059 -0.305 0.000 0.893 1282 L HN 0.316 nan 8.230 nan 0.000 0.433 1283 G N -0.660 108.011 108.800 -0.215 0.000 2.503 1283 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.221 1283 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.221 1283 G C 1.490 176.304 174.900 -0.142 0.000 1.131 1283 G CA 1.099 46.078 45.100 -0.202 0.000 0.756 1283 G HN 0.356 nan 8.290 nan 0.000 0.572 1284 K N -0.870 119.442 120.400 -0.145 0.000 2.555 1284 K HA 0.091 4.411 4.320 -0.000 0.000 0.193 1284 K C 1.297 177.614 176.600 -0.472 0.000 1.032 1284 K CA 0.371 56.491 56.287 -0.279 0.000 1.004 1284 K CB -0.135 32.185 32.500 -0.299 0.000 0.804 1284 K HN 0.682 nan 8.250 nan 0.000 0.496 1285 W N -0.464 120.780 121.300 -0.093 0.000 3.097 1285 W HA 0.272 4.932 4.660 -0.000 0.000 0.245 1285 W C 0.163 176.649 176.519 -0.054 0.000 1.120 1285 W CA -0.476 56.827 57.345 -0.070 0.000 1.468 1285 W CB 0.833 30.247 29.460 -0.077 0.000 0.851 1285 W HN -0.309 nan 8.180 nan 0.000 0.692 1286 K N 2.501 122.980 120.400 0.132 0.000 2.507 1286 K HA 0.087 4.407 4.320 -0.000 0.000 0.253 1286 K C 1.304 177.912 176.600 0.013 0.000 0.969 1286 K CA -0.313 56.024 56.287 0.083 0.000 0.908 1286 K CB 0.936 33.494 32.500 0.097 0.000 1.127 1286 K HN -0.292 nan 8.250 nan 0.000 0.437 1287 K N 3.469 123.874 120.400 0.008 0.000 2.049 1287 K HA -0.255 4.065 4.320 -0.000 0.000 0.219 1287 K C -0.287 176.306 176.600 -0.012 0.000 1.056 1287 K CA 1.811 58.090 56.287 -0.014 0.000 0.946 1287 K CB -0.422 32.078 32.500 -0.001 0.000 0.723 1287 K HN 0.754 nan 8.250 nan 0.000 0.453 1288 E N 1.051 121.266 120.200 0.025 0.000 2.580 1288 E HA 0.433 4.783 4.350 -0.000 0.000 0.248 1288 E C -2.840 173.821 176.600 0.102 0.000 1.018 1288 E CA -2.388 54.040 56.400 0.048 0.000 0.775 1288 E CB 1.641 31.373 29.700 0.053 0.000 1.378 1288 E HN 0.004 nan 8.360 nan 0.000 0.401 1289 P HA -0.048 nan 4.420 nan 0.000 0.268 1289 P C -0.665 176.825 177.300 0.316 0.000 1.208 1289 P CA 0.076 63.301 63.100 0.208 0.000 0.777 1289 P CB 0.615 32.358 31.700 0.072 0.000 0.875 1290 E N 2.259 122.710 120.200 0.417 0.000 2.187 1290 E HA 0.453 4.803 4.350 -0.000 0.000 0.268 1290 E C -1.329 175.500 176.600 0.381 0.000 0.896 1290 E CA -0.584 56.005 56.400 0.314 0.000 0.766 1290 E CB 0.624 30.447 29.700 0.204 0.000 1.142 1290 E HN 0.299 nan 8.360 nan 0.000 0.408 1291 L N 2.321 123.680 121.223 0.226 0.000 2.319 1291 L HA 0.740 5.080 4.340 -0.000 0.000 0.267 1291 L C -0.347 176.533 176.870 0.016 0.000 1.011 1291 L CA -1.237 53.706 54.840 0.171 0.000 0.818 1291 L CB 1.943 44.015 42.059 0.023 0.000 1.316 1291 L HN 0.643 nan 8.230 nan 0.000 0.432 1292 A N 1.356 124.176 122.820 0.000 0.000 2.276 1292 A HA 0.801 5.121 4.320 -0.000 0.000 0.316 1292 A C -0.369 176.961 177.584 -0.422 0.000 1.229 1292 A CA -0.388 51.505 52.037 -0.240 0.000 0.851 1292 A CB 1.033 19.925 19.000 -0.181 0.000 1.165 1292 A HN 0.722 nan 8.150 nan 0.000 0.513 1293 A N 2.127 124.573 122.820 -0.624 0.000 2.318 1293 A HA 0.827 5.147 4.320 -0.000 0.000 0.324 1293 A C -1.080 176.103 177.584 -0.668 0.000 1.170 1293 A CA -0.354 51.398 52.037 -0.475 0.000 0.810 1293 A CB 0.315 19.061 19.000 -0.423 0.000 1.198 1293 A HN 0.706 nan 8.150 nan 0.000 0.484 1294 F N 1.481 121.441 119.950 0.016 0.000 2.518 1294 F HA 0.477 5.004 4.527 -0.000 0.000 0.323 1294 F C -0.143 175.676 175.800 0.031 0.000 1.129 1294 F CA -0.818 57.175 58.000 -0.012 0.000 0.920 1294 F CB 2.403 41.414 39.000 0.020 0.000 1.160 1294 F HN 0.218 nan 8.300 nan 0.000 0.440 1295 V N 4.731 124.685 119.914 0.067 0.000 2.277 1295 V HA 0.330 4.450 4.120 -0.000 0.000 0.269 1295 V C -0.485 175.567 176.094 -0.070 0.000 1.036 1295 V CA -0.597 61.730 62.300 0.044 0.000 0.821 1295 V CB -0.116 31.702 31.823 -0.009 0.000 1.052 1295 V HN 0.478 nan 8.190 nan 0.000 0.462 1296 F N 2.522 122.453 119.950 -0.031 0.000 2.403 1296 F HA 0.458 4.985 4.527 -0.000 0.000 0.326 1296 F C 1.546 177.314 175.800 -0.054 0.000 1.081 1296 F CA -0.853 57.112 58.000 -0.058 0.000 1.041 1296 F CB 1.275 40.198 39.000 -0.128 0.000 1.234 1296 F HN 0.276 nan 8.300 nan 0.000 0.503 1297 K N -0.305 120.184 120.400 0.147 0.000 2.218 1297 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 1297 K C 1.464 178.097 176.600 0.056 0.000 1.046 1297 K CA 1.916 58.245 56.287 0.070 0.000 0.933 1297 K CB -0.275 32.257 32.500 0.052 0.000 0.728 1297 K HN 0.797 nan 8.250 nan 0.000 0.454 1298 T N -3.115 111.478 114.554 0.066 0.000 3.069 1298 T HA 0.508 4.858 4.350 -0.000 0.000 0.252 1298 T C 0.184 174.864 174.700 -0.033 0.000 1.053 1298 T CA 0.009 62.109 62.100 -0.001 0.000 0.964 1298 T CB 0.658 69.500 68.868 -0.042 0.000 1.005 1298 T HN 0.152 nan 8.240 nan 0.000 0.532 1299 A N -0.084 122.738 122.820 0.005 0.000 2.489 1299 A HA 0.593 4.913 4.320 -0.000 0.000 0.293 1299 A C -1.853 175.758 177.584 0.045 0.000 1.004 1299 A CA -0.773 51.240 52.037 -0.040 0.000 0.626 1299 A CB 0.654 19.561 19.000 -0.155 0.000 1.345 1299 A HN 0.279 nan 8.150 nan 0.000 0.447 1300 V N 0.676 120.588 119.914 -0.004 0.000 2.417 1300 V HA 0.605 4.725 4.120 -0.000 0.000 0.291 1300 V C -0.504 175.598 176.094 0.014 0.000 1.024 1300 V CA -0.491 61.845 62.300 0.060 0.000 0.861 1300 V CB 1.470 33.311 31.823 0.030 0.000 0.985 1300 V HN 0.811 nan 8.190 nan 0.000 0.436 1301 V N 6.554 126.547 119.914 0.133 0.000 2.495 1301 V HA 0.537 4.657 4.120 -0.000 0.000 0.298 1301 V C -0.323 175.862 176.094 0.152 0.000 1.031 1301 V CA -0.542 61.810 62.300 0.086 0.000 0.871 1301 V CB 1.876 33.738 31.823 0.064 0.000 0.988 1301 V HN 0.623 nan 8.190 nan 0.000 0.432 1302 L N 5.125 126.340 121.223 -0.014 0.000 2.329 1302 L HA 0.805 5.144 4.340 -0.000 0.000 0.279 1302 L C -0.963 175.910 176.870 0.006 0.000 1.014 1302 L CA -0.773 54.024 54.840 -0.072 0.000 0.814 1302 L CB 2.068 43.928 42.059 -0.333 0.000 1.257 1302 L HN 0.348 nan 8.230 nan 0.000 0.424 1303 V N 2.098 122.100 119.914 0.147 0.000 2.733 1303 V HA 0.258 4.378 4.120 -0.000 0.000 0.306 1303 V C -1.257 175.070 176.094 0.388 0.000 1.084 1303 V CA -0.719 61.738 62.300 0.261 0.000 0.905 1303 V CB 2.236 34.318 31.823 0.431 0.000 1.010 1303 V HN 0.488 nan 8.190 nan 0.000 0.424 1304 Y N 4.347 124.858 120.300 0.351 0.000 2.327 1304 Y HA 0.578 5.128 4.550 -0.000 0.000 0.336 1304 Y C 0.498 176.585 175.900 0.313 0.000 1.035 1304 Y CA -0.109 58.214 58.100 0.371 0.000 1.165 1304 Y CB 1.355 40.109 38.460 0.490 0.000 1.181 1304 Y HN 0.752 nan 8.280 nan 0.000 0.494 1305 K N 2.850 123.080 120.400 -0.283 0.000 2.878 1305 K HA 0.193 4.513 4.320 -0.000 0.000 0.204 1305 K C -0.671 175.576 176.600 -0.590 0.000 1.093 1305 K CA 0.955 57.081 56.287 -0.268 0.000 1.250 1305 K CB -0.250 32.246 32.500 -0.007 0.000 1.692 1305 K HN 0.740 nan 8.250 nan 0.000 0.470 1306 D N -0.821 119.334 120.400 -0.408 0.000 3.908 1306 D HA -0.086 4.554 4.640 -0.000 0.000 0.237 1306 D C -0.836 175.371 176.300 -0.154 0.000 1.091 1306 D CA 1.120 54.958 54.000 -0.270 0.000 1.147 1306 D CB -0.923 39.671 40.800 -0.344 0.000 0.857 1306 D HN 0.508 nan 8.370 nan 0.000 0.410 1307 G N 1.610 110.357 108.800 -0.088 0.000 2.372 1307 G HA2 0.546 4.506 3.960 -0.000 0.000 0.323 1307 G HA3 0.546 4.506 3.960 -0.000 0.000 0.323 1307 G C 0.509 175.392 174.900 -0.028 0.000 1.152 1307 G CA -0.024 45.040 45.100 -0.060 0.000 0.906 1307 G HN 0.854 nan 8.290 nan 0.000 0.460 1308 S N 0.234 115.924 115.700 -0.016 0.000 3.051 1308 S HA 0.217 4.687 4.470 -0.000 0.000 0.250 1308 S C 0.298 174.899 174.600 0.001 0.000 0.906 1308 S CA -0.602 57.596 58.200 -0.003 0.000 1.234 1308 S CB -0.237 62.967 63.200 0.008 0.000 1.175 1308 S HN 0.815 nan 8.310 nan 0.000 0.635 1309 K N 0.350 120.747 120.400 -0.005 0.000 2.267 1309 K HA 0.563 4.883 4.320 -0.000 0.000 0.236 1309 K C -0.387 176.209 176.600 -0.007 0.000 1.030 1309 K CA -0.732 55.555 56.287 0.000 0.000 0.930 1309 K CB 0.209 32.709 32.500 0.001 0.000 1.182 1309 K HN -0.134 nan 8.250 nan 0.000 0.474 1310 Q N -0.434 119.363 119.800 -0.005 0.000 2.481 1310 Q HA -0.178 4.162 4.340 -0.000 0.000 0.272 1310 Q C -1.228 174.768 176.000 -0.007 0.000 1.157 1310 Q CA 1.384 57.181 55.803 -0.009 0.000 0.935 1310 Q CB -1.660 27.067 28.738 -0.018 0.000 1.338 1310 Q HN 0.698 nan 8.270 nan 0.000 0.494 1311 K N 0.339 120.738 120.400 -0.002 0.000 2.395 1311 K HA 0.584 4.904 4.320 -0.000 0.000 0.247 1311 K C -0.202 176.399 176.600 0.001 0.000 0.973 1311 K CA -1.050 55.236 56.287 -0.001 0.000 0.828 1311 K CB 1.870 34.370 32.500 -0.001 0.000 1.272 1311 K HN 0.102 nan 8.250 nan 0.000 0.439 1312 K N 2.252 122.653 120.400 0.001 0.000 6.236 1312 K HA -0.212 4.108 4.320 -0.000 0.000 0.607 1312 K C 0.589 177.191 176.600 0.003 0.000 1.570 1312 K CA 0.721 57.009 56.287 0.002 0.000 1.551 1312 K CB -0.167 32.334 32.500 0.003 0.000 1.812 1312 K HN 0.851 nan 8.250 nan 0.000 0.338 1313 K N 2.623 123.024 120.400 0.002 0.000 2.152 1313 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 1313 K C 1.023 177.625 176.600 0.004 0.000 1.048 1313 K CA 1.226 57.514 56.287 0.002 0.000 0.933 1313 K CB -0.087 32.413 32.500 0.001 0.000 0.721 1313 K HN 0.392 nan 8.250 nan 0.000 0.447 1314 L N 2.465 123.690 121.223 0.003 0.000 2.462 1314 L HA 0.247 4.587 4.340 -0.000 0.000 0.283 1314 L C -0.927 175.946 176.870 0.005 0.000 1.166 1314 L CA 0.094 54.936 54.840 0.003 0.000 0.964 1314 L CB 0.671 42.731 42.059 0.001 0.000 1.294 1314 L HN 0.148 nan 8.230 nan 0.000 0.449 1315 V N 3.345 123.263 119.914 0.008 0.000 3.036 1315 V HA 0.741 4.861 4.120 -0.000 0.000 0.280 1315 V C -0.458 175.647 176.094 0.018 0.000 1.497 1315 V CA 0.007 62.314 62.300 0.012 0.000 0.982 1315 V CB 2.026 33.857 31.823 0.014 0.000 1.171 1315 V HN 0.674 nan 8.190 nan 0.000 0.444 1316 G N 2.502 111.315 108.800 0.022 0.000 2.487 1316 G HA2 0.563 4.523 3.960 -0.000 0.000 0.314 1316 G HA3 0.563 4.523 3.960 -0.000 0.000 0.314 1316 G C 0.011 174.939 174.900 0.046 0.000 1.267 1316 G CA 0.448 45.566 45.100 0.031 0.000 0.937 1316 G HN 1.063 nan 8.290 nan 0.000 0.481 1317 S N 1.410 117.148 115.700 0.063 0.000 2.910 1317 S HA 0.186 4.656 4.470 -0.000 0.000 0.167 1317 S C 1.451 176.133 174.600 0.137 0.000 0.681 1317 S CA 1.313 59.557 58.200 0.073 0.000 0.828 1317 S CB -0.406 62.822 63.200 0.048 0.000 0.739 1317 S HN 0.942 nan 8.310 nan 0.000 0.611 1318 H N 1.045 120.108 119.070 -0.011 0.000 1.456 1318 H HA -0.210 4.346 4.556 -0.000 0.000 0.090 1318 H C 0.986 176.298 175.328 -0.027 0.000 0.600 1318 H CA 2.680 58.717 56.048 -0.018 0.000 1.901 1318 H CB -1.226 28.528 29.762 -0.014 0.000 2.256 1318 H HN 0.570 nan 8.280 nan 0.000 0.961 1319 R N -1.064 119.696 120.500 0.433 0.000 2.688 1319 R HA 0.172 4.512 4.340 -0.000 0.000 0.236 1319 R C 1.239 177.587 176.300 0.080 0.000 0.981 1319 R CA 0.551 56.783 56.100 0.220 0.000 1.139 1319 R CB 0.616 31.093 30.300 0.295 0.000 1.677 1319 R HN 0.150 nan 8.270 nan 0.000 0.554 1320 L N 1.781 123.027 121.223 0.039 0.000 2.672 1320 L HA 0.120 4.460 4.340 -0.000 0.000 0.236 1320 L C 1.575 178.457 176.870 0.021 0.000 1.186 1320 L CA 0.827 55.663 54.840 -0.008 0.000 0.977 1320 L CB 0.172 42.193 42.059 -0.062 0.000 1.203 1320 L HN 0.119 nan 8.230 nan 0.000 0.448 1321 S N -2.222 113.504 115.700 0.043 0.000 2.524 1321 S HA 0.127 4.597 4.470 -0.000 0.000 0.216 1321 S C 1.464 176.130 174.600 0.110 0.000 0.987 1321 S CA 0.199 58.440 58.200 0.068 0.000 0.909 1321 S CB 0.096 63.337 63.200 0.069 0.000 0.781 1321 S HN 0.303 nan 8.310 nan 0.000 0.521 1322 I N -1.213 119.387 120.570 0.050 0.000 4.853 1322 I HA -0.445 3.725 4.170 -0.000 0.000 0.040 1322 I C 0.708 176.804 176.117 -0.035 0.000 0.633 1322 I CA 2.071 63.379 61.300 0.013 0.000 0.423 1322 I CB -1.662 36.435 38.000 0.161 0.000 0.450 1322 I HN 0.305 nan 8.210 nan 0.000 0.152 1323 Y N 1.625 121.931 120.300 0.011 0.000 2.158 1323 Y HA 0.333 4.882 4.550 -0.000 0.000 0.365 1323 Y C 1.113 177.103 175.900 0.150 0.000 1.301 1323 Y CA 0.521 58.715 58.100 0.156 0.000 1.735 1323 Y CB -0.087 38.503 38.460 0.217 0.000 1.509 1323 Y HN 0.406 nan 8.280 nan 0.000 0.657 1324 E N 0.294 120.866 120.200 0.620 0.000 8.696 1324 E HA -0.297 4.053 4.350 -0.000 0.000 0.467 1324 E C -1.188 175.558 176.600 0.244 0.000 1.149 1324 E CA 0.573 57.224 56.400 0.418 0.000 1.997 1324 E CB -0.304 29.527 29.700 0.218 0.000 1.008 1324 E HN 0.754 nan 8.360 nan 0.000 0.278 1325 E N 1.245 121.607 120.200 0.270 0.000 2.613 1325 E HA -0.252 4.098 4.350 -0.000 0.000 0.161 1325 E C -0.557 176.065 176.600 0.037 0.000 1.664 1325 E CA 0.957 57.425 56.400 0.113 0.000 0.661 1325 E CB -1.028 28.670 29.700 -0.005 0.000 1.098 1325 E HN 0.523 nan 8.360 nan 0.000 0.364 1326 W N 0.608 121.877 121.300 -0.053 0.000 2.893 1326 W HA 0.263 4.923 4.660 -0.000 0.000 0.253 1326 W C 0.633 177.099 176.519 -0.088 0.000 1.171 1326 W CA 0.708 58.014 57.345 -0.065 0.000 1.480 1326 W CB 0.752 30.177 29.460 -0.059 0.000 0.963 1326 W HN 0.312 nan 8.180 nan 0.000 0.637 1327 D N -2.537 117.939 120.400 0.125 0.000 2.787 1327 D HA 0.180 4.819 4.640 -0.000 0.000 0.215 1327 D C -2.093 174.125 176.300 -0.137 0.000 1.246 1327 D CA -1.030 52.924 54.000 -0.077 0.000 0.798 1327 D CB 1.602 42.340 40.800 -0.102 0.000 1.649 1327 D HN -0.350 nan 8.370 nan 0.000 0.507 1328 P HA 0.025 nan 4.420 nan 0.000 0.208 1328 P C 0.268 177.510 177.300 -0.097 0.000 1.189 1328 P CA 0.955 63.945 63.100 -0.183 0.000 0.931 1328 P CB -0.079 31.493 31.700 -0.213 0.000 0.783 1329 F N -1.747 118.241 119.950 0.064 0.000 2.368 1329 F HA 0.509 5.036 4.527 -0.000 0.000 0.308 1329 F C 1.435 177.322 175.800 0.145 0.000 1.198 1329 F CA -0.796 57.253 58.000 0.082 0.000 1.130 1329 F CB -0.002 39.039 39.000 0.068 0.000 1.300 1329 F HN -0.292 nan 8.300 nan 0.000 0.537 1330 R N 0.197 121.058 120.500 0.603 0.000 2.076 1330 R HA 0.349 4.689 4.340 -0.000 0.000 0.125 1330 R C -1.105 175.553 176.300 0.597 0.000 1.907 1330 R CA -0.110 56.332 56.100 0.570 0.000 1.623 1330 R CB -0.473 30.212 30.300 0.643 0.000 1.357 1330 R HN 0.658 nan 8.270 nan 0.000 0.476 1331 F N 3.580 123.788 119.950 0.431 0.000 2.477 1331 F HA 0.467 4.994 4.527 -0.000 0.000 0.335 1331 F C -0.467 175.487 175.800 0.257 0.000 1.130 1331 F CA -0.851 57.350 58.000 0.336 0.000 0.948 1331 F CB 0.828 40.065 39.000 0.396 0.000 1.154 1331 F HN 0.162 nan 8.300 nan 0.000 0.439 1332 R N 3.699 123.816 120.500 -0.639 0.000 2.867 1332 R HA 0.815 5.155 4.340 -0.000 0.000 0.268 1332 R C -1.795 174.092 176.300 -0.688 0.000 1.014 1332 R CA -0.989 54.793 56.100 -0.530 0.000 0.946 1332 R CB 2.391 32.547 30.300 -0.239 0.000 1.208 1332 R HN 0.806 nan 8.270 nan 0.000 0.477 1336 P HA 0.146 nan 4.420 nan 0.000 0.269 1336 P C 0.812 178.085 177.300 -0.045 0.000 1.209 1336 P CA 0.027 63.065 63.100 -0.103 0.000 0.776 1336 P CB 0.713 32.382 31.700 -0.052 0.000 0.876 1337 T N 0.394 114.931 114.554 -0.028 0.000 2.803 1337 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 1337 T C 1.345 176.058 174.700 0.022 0.000 1.052 1337 T CA 1.238 63.336 62.100 -0.002 0.000 1.136 1337 T CB -0.439 68.431 68.868 0.002 0.000 0.864 1337 T HN 0.493 nan 8.240 nan 0.000 0.467 1338 E N 1.273 121.488 120.200 0.025 0.000 2.204 1338 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 1338 E C 1.755 178.395 176.600 0.068 0.000 0.990 1338 E CA 0.920 57.346 56.400 0.043 0.000 0.821 1338 E CB -0.158 29.562 29.700 0.035 0.000 0.750 1338 E HN 0.567 nan 8.360 nan 0.000 0.477 1339 A N 0.577 123.454 122.820 0.095 0.000 2.589 1339 A HA 0.186 4.505 4.320 -0.000 0.000 0.283 1339 A C 0.377 178.070 177.584 0.181 0.000 1.187 1339 A CA -0.393 51.741 52.037 0.162 0.000 0.957 1339 A CB 0.415 19.581 19.000 0.277 0.000 1.175 1339 A HN 0.096 nan 8.150 nan 0.000 0.532 1340 L N 0.947 122.229 121.223 0.099 0.000 2.257 1340 L HA 0.464 4.803 4.340 -0.000 0.000 0.290 1340 L C -0.704 176.205 176.870 0.065 0.000 1.044 1340 L CA 0.252 55.138 54.840 0.077 0.000 0.810 1340 L CB 0.949 43.019 42.059 0.019 0.000 1.193 1340 L HN 0.473 nan 8.230 nan 0.000 0.425 1341 Q N 3.583 123.434 119.800 0.084 0.000 2.337 1341 Q HA 0.558 4.898 4.340 -0.000 0.000 0.266 1341 Q C -1.724 174.308 176.000 0.054 0.000 1.023 1341 Q CA -0.469 55.373 55.803 0.066 0.000 0.829 1341 Q CB 2.942 31.726 28.738 0.078 0.000 1.306 1341 Q HN 0.584 nan 8.270 nan 0.000 0.449 1342 V N 5.477 125.406 119.914 0.024 0.000 2.569 1342 V HA 0.664 4.784 4.120 -0.000 0.000 0.301 1342 V C -1.706 174.409 176.094 0.035 0.000 1.044 1342 V CA -0.571 61.725 62.300 -0.006 0.000 0.874 1342 V CB 1.664 33.388 31.823 -0.165 0.000 1.002 1342 V HN 0.817 nan 8.190 nan 0.000 0.424 1343 R N 6.025 126.566 120.500 0.069 0.000 2.513 1343 R HA 0.772 5.112 4.340 -0.000 0.000 0.301 1343 R C -0.573 175.790 176.300 0.104 0.000 0.968 1343 R CA -0.375 55.782 56.100 0.094 0.000 0.872 1343 R CB 1.437 31.791 30.300 0.090 0.000 1.177 1343 R HN 0.881 nan 8.270 nan 0.000 0.444 1344 A N 5.740 128.625 122.820 0.107 0.000 2.396 1344 A HA 0.332 4.652 4.320 -0.000 0.000 0.279 1344 A C 0.512 178.153 177.584 0.096 0.000 1.165 1344 A CA -0.648 51.454 52.037 0.108 0.000 0.824 1344 A CB 0.122 19.186 19.000 0.107 0.000 1.100 1344 A HN 0.750 nan 8.150 nan 0.000 0.516 1345 L N 5.026 126.310 121.223 0.102 0.000 2.540 1345 L HA 0.148 4.488 4.340 -0.000 0.000 0.276 1345 L C -1.459 175.446 176.870 0.058 0.000 1.212 1345 L CA -1.029 53.861 54.840 0.082 0.000 0.893 1345 L CB 0.213 42.322 42.059 0.084 0.000 1.138 1345 L HN 0.574 nan 8.230 nan 0.000 0.491 1346 P HA 0.087 nan 4.420 nan 0.000 0.275 1346 P C -0.771 176.544 177.300 0.025 0.000 1.227 1346 P CA -0.256 62.864 63.100 0.034 0.000 0.781 1346 P CB 1.751 33.468 31.700 0.029 0.000 0.906 1347 S N 0.999 116.712 115.700 0.022 0.000 2.568 1347 S HA 0.559 5.029 4.470 -0.000 0.000 0.293 1347 S C 1.188 175.795 174.600 0.011 0.000 1.089 1347 S CA -0.134 58.075 58.200 0.015 0.000 0.945 1347 S CB 1.380 64.591 63.200 0.017 0.000 1.077 1347 S HN 0.448 nan 8.310 nan 0.000 0.485 1348 A N 2.561 125.385 122.820 0.007 0.000 1.851 1348 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 1348 A C 0.666 178.254 177.584 0.007 0.000 1.195 1348 A CA 1.921 53.962 52.037 0.006 0.000 0.622 1348 A CB -0.861 18.140 19.000 0.003 0.000 0.831 1348 A HN 0.835 nan 8.150 nan 0.000 0.444 1349 D N 0.114 120.518 120.400 0.008 0.000 3.110 1349 D HA 0.540 5.180 4.640 -0.000 0.000 0.254 1349 D C 0.361 176.668 176.300 0.012 0.000 1.283 1349 D CA 0.493 54.498 54.000 0.008 0.000 0.944 1349 D CB 0.240 41.044 40.800 0.007 0.000 1.066 1349 D HN 0.564 nan 8.370 nan 0.000 0.496 1350 A N 0.843 123.671 122.820 0.014 0.000 2.482 1350 A HA 0.155 4.475 4.320 -0.000 0.000 0.249 1350 A C 1.349 178.944 177.584 0.018 0.000 1.114 1350 A CA 0.293 52.340 52.037 0.018 0.000 0.797 1350 A CB 0.088 19.100 19.000 0.019 0.000 1.067 1350 A HN 0.589 nan 8.150 nan 0.000 0.514 1351 E N -2.800 117.413 120.200 0.022 0.000 3.916 1351 E HA -0.282 4.068 4.350 -0.000 0.000 0.331 1351 E C 0.660 177.272 176.600 0.020 0.000 0.729 1351 E CA 1.377 57.790 56.400 0.020 0.000 1.222 1351 E CB -1.565 28.145 29.700 0.016 0.000 1.633 1351 E HN 1.341 nan 8.360 nan 0.000 0.437 1352 A N -0.083 122.749 122.820 0.019 0.000 2.340 1352 A HA 0.231 4.551 4.320 -0.000 0.000 0.213 1352 A C 0.453 178.049 177.584 0.020 0.000 1.299 1352 A CA 0.427 52.474 52.037 0.018 0.000 0.994 1352 A CB 0.266 19.274 19.000 0.014 0.000 1.132 1352 A HN 0.231 nan 8.150 nan 0.000 0.519 1353 N N 0.732 119.447 118.700 0.024 0.000 2.492 1353 N HA 0.396 5.136 4.740 -0.000 0.000 0.262 1353 N C 0.286 175.817 175.510 0.036 0.000 1.202 1353 N CA 0.814 53.881 53.050 0.028 0.000 0.926 1353 N CB 0.993 39.498 38.487 0.031 0.000 1.078 1353 N HN 0.202 nan 8.380 nan 0.000 0.454 1354 A N 2.838 125.679 122.820 0.036 0.000 2.594 1354 A HA 0.327 4.647 4.320 -0.000 0.000 0.287 1354 A C -0.468 177.146 177.584 0.051 0.000 1.227 1354 A CA -0.410 51.651 52.037 0.040 0.000 0.952 1354 A CB -0.022 18.993 19.000 0.025 0.000 1.161 1354 A HN 0.403 nan 8.150 nan 0.000 0.524 1355 V N 0.263 120.214 119.914 0.061 0.000 2.732 1355 V HA 0.626 4.746 4.120 -0.000 0.000 0.310 1355 V C 0.265 176.426 176.094 0.112 0.000 1.053 1355 V CA -0.283 62.066 62.300 0.082 0.000 0.957 1355 V CB 1.015 32.878 31.823 0.067 0.000 1.018 1355 V HN 0.862 nan 8.190 nan 0.000 0.452 1356 C N 1.948 121.340 119.300 0.153 0.000 3.259 1356 C HA 0.835 5.295 4.460 -0.000 0.000 0.344 1356 C C -1.204 173.922 174.990 0.227 0.000 1.401 1356 C CA -0.945 58.180 59.018 0.180 0.000 1.219 1356 C CB 1.431 29.285 27.740 0.190 0.000 1.521 1356 C HN 1.022 nan 8.230 nan 0.000 0.455 1357 E N 1.154 121.481 120.200 0.212 0.000 2.292 1357 E HA 0.731 5.081 4.350 -0.000 0.000 0.272 1357 E C -1.462 175.244 176.600 0.176 0.000 0.881 1357 E CA -0.701 55.821 56.400 0.203 0.000 0.754 1357 E CB 1.726 31.534 29.700 0.179 0.000 1.201 1357 E HN 0.566 nan 8.360 nan 0.000 0.425 1358 I N 2.766 123.470 120.570 0.224 0.000 2.359 1358 I HA 0.323 4.493 4.170 -0.000 0.000 0.294 1358 I C -0.326 175.962 176.117 0.285 0.000 0.987 1358 I CA -1.063 60.378 61.300 0.234 0.000 1.225 1358 I CB 1.444 39.594 38.000 0.250 0.000 1.366 1358 I HN 0.488 nan 8.210 nan 0.000 0.466 1359 V N 6.006 126.052 119.914 0.219 0.000 2.540 1359 V HA 0.288 4.408 4.120 -0.000 0.000 0.302 1359 V C -0.066 176.202 176.094 0.291 0.000 1.035 1359 V CA -0.727 61.700 62.300 0.212 0.000 0.873 1359 V CB 1.815 33.709 31.823 0.118 0.000 0.992 1359 V HN 0.670 nan 8.190 nan 0.000 0.428 1360 H N 4.445 123.645 119.070 0.216 0.000 2.746 1360 H HA 0.473 5.029 4.556 -0.000 0.000 0.269 1360 H C 0.142 175.547 175.328 0.129 0.000 1.248 1360 H CA -0.867 55.315 56.048 0.223 0.000 1.258 1360 H CB 1.200 31.197 29.762 0.391 0.000 1.441 1360 H HN 0.718 nan 8.280 nan 0.000 0.508 1361 V N 2.816 122.844 119.914 0.189 0.000 3.083 1361 V HA -0.088 4.032 4.120 -0.000 0.000 0.303 1361 V C 0.554 176.621 176.094 -0.046 0.000 1.151 1361 V CA -0.253 62.084 62.300 0.061 0.000 1.275 1361 V CB 0.138 32.003 31.823 0.071 0.000 0.950 1361 V HN 0.768 nan 8.190 nan 0.000 0.506 1362 K N 2.578 122.956 120.400 -0.037 0.000 2.132 1362 K HA 0.499 4.819 4.320 -0.000 0.000 0.240 1362 K C 0.006 176.576 176.600 -0.048 0.000 1.036 1362 K CA -0.026 56.225 56.287 -0.059 0.000 0.888 1362 K CB 0.676 33.157 32.500 -0.030 0.000 1.071 1362 K HN 0.783 nan 8.250 nan 0.000 0.502 1363 S N -0.092 115.582 115.700 -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 -0.016 0.000 1.150 1363 S CA -0.742 57.442 58.200 -0.026 0.000 1.077 1363 S CB 0.997 64.177 63.200 -0.032 0.000 1.075 1363 S HN 0.758 nan 8.310 nan 0.000 0.476 1364 E N 1.912 122.108 120.200 -0.008 0.000 2.021 1364 E HA -0.114 4.236 4.350 -0.000 0.000 0.200 1364 E C 1.054 177.652 176.600 -0.003 0.000 1.015 1364 E CA 1.530 57.928 56.400 -0.004 0.000 0.824 1364 E CB -0.159 29.541 29.700 -0.000 0.000 0.762 1364 E HN 0.787 nan 8.360 nan 0.000 0.454 1365 S N 0.210 115.910 115.700 -0.001 0.000 2.608 1365 S HA 0.075 4.544 4.470 -0.000 0.000 0.261 1365 S C 0.789 175.388 174.600 -0.001 0.000 1.314 1365 S CA 0.101 58.301 58.200 0.000 0.000 0.992 1365 S CB 1.653 64.854 63.200 0.002 0.000 0.935 1365 S HN 0.418 nan 8.310 nan 0.000 0.564 1366 E N 0.393 120.593 120.200 0.001 0.000 4.586 1366 E HA -0.208 4.142 4.350 -0.000 0.000 0.271 1366 E C 0.794 177.394 176.600 0.000 0.000 0.767 1366 E CA 2.629 59.030 56.400 0.001 0.000 1.491 1366 E CB -1.854 27.846 29.700 -0.000 0.000 1.758 1366 E HN 2.334 nan 8.360 nan 0.000 0.398 1367 G N 0.764 109.562 108.800 -0.003 0.000 2.370 1367 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.295 1367 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.295 1367 G C -0.309 174.587 174.900 -0.006 0.000 1.045 1367 G CA 0.563 45.661 45.100 -0.003 0.000 1.199 1367 G HN 0.346 nan 8.290 nan 0.000 0.513 1368 R N 0.881 121.369 120.500 -0.021 0.000 2.451 1368 R HA 0.487 4.827 4.340 -0.000 0.000 0.307 1368 R C -2.716 173.552 176.300 -0.052 0.000 0.965 1368 R CA -2.002 54.076 56.100 -0.036 0.000 0.865 1368 R CB 1.841 32.103 30.300 -0.063 0.000 1.174 1368 R HN 0.160 nan 8.270 nan 0.000 0.455 1369 P HA 0.033 nan 4.420 nan 0.000 0.272 1369 P C -0.693 176.573 177.300 -0.057 0.000 1.240 1369 P CA -0.250 62.829 63.100 -0.035 0.000 0.791 1369 P CB 0.628 32.318 31.700 -0.018 0.000 0.978 1370 E N 1.696 121.870 120.200 -0.044 0.000 2.373 1370 E HA 0.076 4.426 4.350 -0.000 0.000 0.267 1370 E C -0.391 176.178 176.600 -0.051 0.000 1.032 1370 E CA -0.274 56.102 56.400 -0.041 0.000 0.889 1370 E CB 0.402 30.088 29.700 -0.023 0.000 0.984 1370 E HN 0.160 nan 8.360 nan 0.000 0.425 1371 R N 3.327 123.808 120.500 -0.033 0.000 2.513 1371 R HA 0.409 4.749 4.340 -0.000 0.000 0.301 1371 R C -1.625 174.538 176.300 -0.228 0.000 0.968 1371 R CA -0.773 55.246 56.100 -0.135 0.000 0.872 1371 R CB 1.724 32.028 30.300 0.007 0.000 1.177 1371 R HN 0.369 nan 8.270 nan 0.000 0.444 1372 V N 5.229 124.879 119.914 -0.440 0.000 2.604 1372 V HA 0.553 4.673 4.120 -0.000 0.000 0.305 1372 V C -0.888 174.816 176.094 -0.649 0.000 1.043 1372 V CA -0.674 61.388 62.300 -0.397 0.000 0.888 1372 V CB 1.905 33.558 31.823 -0.284 0.000 0.995 1372 V HN 0.508 nan 8.190 nan 0.000 0.429 1373 F N 3.247 123.142 119.950 -0.092 0.000 2.460 1373 F HA 0.494 5.021 4.527 -0.000 0.000 0.341 1373 F C 0.365 176.138 175.800 -0.044 0.000 1.130 1373 F CA -0.641 57.346 58.000 -0.021 0.000 0.962 1373 F CB 1.097 40.056 39.000 -0.067 0.000 1.171 1373 F HN 0.454 nan 8.300 nan 0.000 0.436 1374 H N 5.492 124.763 119.070 0.334 0.000 2.782 1374 H HA 0.403 4.959 4.556 -0.000 0.000 0.285 1374 H C -0.364 175.114 175.328 0.251 0.000 1.093 1374 H CA -0.136 56.053 56.048 0.234 0.000 1.410 1374 H CB 0.788 30.649 29.762 0.166 0.000 1.439 1374 H HN 0.506 nan 8.280 nan 0.000 0.469 1375 L N 2.916 124.300 121.223 0.270 0.000 2.322 1375 L HA 0.298 4.638 4.340 -0.000 0.000 0.281 1375 L C 0.178 177.104 176.870 0.094 0.000 1.014 1375 L CA -0.750 54.176 54.840 0.143 0.000 0.815 1375 L CB 2.007 44.065 42.059 -0.001 0.000 1.247 1375 L HN 0.518 nan 8.230 nan 0.000 0.421 1376 C N 3.837 123.180 119.300 0.070 0.000 2.239 1376 C HA 0.528 4.988 4.460 -0.000 0.000 0.323 1376 C C 0.838 175.822 174.990 -0.009 0.000 1.205 1376 C CA -0.722 58.322 59.018 0.042 0.000 1.584 1376 C CB -0.643 27.131 27.740 0.056 0.000 2.201 1376 C HN 0.951 nan 8.230 nan 0.000 0.475 1377 C N 3.804 123.085 119.300 -0.032 0.000 2.705 1377 C HA 0.232 4.692 4.460 -0.000 0.000 0.382 1377 C C 2.149 177.121 174.990 -0.030 0.000 1.322 1377 C CA 0.378 59.356 59.018 -0.066 0.000 2.290 1377 C CB 0.612 28.319 27.740 -0.054 0.000 2.650 1377 C HN 0.983 nan 8.230 nan 0.000 0.695 1378 S N 0.200 115.877 115.700 -0.038 0.000 2.555 1378 S HA 0.094 4.564 4.470 -0.000 0.000 0.230 1378 S C 0.353 174.949 174.600 -0.007 0.000 0.978 1378 S CA 0.555 58.745 58.200 -0.018 0.000 0.934 1378 S CB -0.478 62.708 63.200 -0.023 0.000 0.766 1378 S HN 1.235 nan 8.310 nan 0.000 0.533 1379 S N -1.046 114.651 115.700 -0.005 0.000 2.622 1379 S HA 0.380 4.849 4.470 -0.000 0.000 0.275 1379 S C -2.893 171.714 174.600 0.012 0.000 1.112 1379 S CA -0.844 57.358 58.200 0.004 0.000 0.837 1379 S CB 0.906 64.107 63.200 0.001 0.000 1.082 1379 S HN -0.002 nan 8.310 nan 0.000 0.456 1380 P HA -0.128 nan 4.420 nan 0.000 0.218 1380 P C 0.828 178.144 177.300 0.028 0.000 1.148 1380 P CA 1.644 64.759 63.100 0.025 0.000 0.822 1380 P CB -0.010 31.703 31.700 0.022 0.000 0.784 1381 E N 0.183 120.394 120.200 0.019 0.000 2.072 1381 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 1381 E C 2.419 179.032 176.600 0.022 0.000 0.985 1381 E CA 1.327 57.737 56.400 0.017 0.000 0.801 1381 E CB -1.209 28.495 29.700 0.008 0.000 0.750 1381 E HN 0.183 nan 8.360 nan 0.000 0.452 1382 S N 0.174 115.882 115.700 0.013 0.000 2.370 1382 S HA -0.227 4.242 4.470 -0.000 0.000 0.226 1382 S C 2.062 176.698 174.600 0.060 0.000 1.033 1382 S CA 1.575 59.781 58.200 0.010 0.000 1.011 1382 S CB -0.112 63.074 63.200 -0.023 0.000 0.852 1382 S HN 0.215 nan 8.310 nan 0.000 0.457 1383 R N 0.591 121.131 120.500 0.066 0.000 2.073 1383 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 1383 R C 2.355 178.734 176.300 0.130 0.000 1.134 1383 R CA 1.851 58.025 56.100 0.124 0.000 0.952 1383 R CB -0.367 29.989 30.300 0.093 0.000 0.850 1383 R HN 0.286 nan 8.270 nan 0.000 0.433 1384 K N 1.061 121.509 120.400 0.080 0.000 2.001 1384 K HA -0.184 4.136 4.320 -0.000 0.000 0.214 1384 K C 1.477 178.112 176.600 0.059 0.000 1.050 1384 K CA 2.460 58.784 56.287 0.062 0.000 0.934 1384 K CB -0.446 32.079 32.500 0.041 0.000 0.718 1384 K HN 0.214 nan 8.250 nan 0.000 0.443 1385 D N -0.510 119.924 120.400 0.056 0.000 2.117 1385 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 1385 D C 1.720 178.057 176.300 0.062 0.000 0.987 1385 D CA 1.000 55.025 54.000 0.042 0.000 0.829 1385 D CB -0.402 40.413 40.800 0.024 0.000 0.961 1385 D HN 0.231 nan 8.370 nan 0.000 0.460 1386 F N 1.444 121.362 119.950 -0.054 0.000 2.046 1386 F HA -0.137 4.390 4.527 -0.000 0.000 0.297 1386 F C 2.090 177.845 175.800 -0.075 0.000 1.123 1386 F CA 1.255 59.213 58.000 -0.071 0.000 1.199 1386 F CB -0.575 38.383 39.000 -0.070 0.000 0.972 1386 F HN -0.113 nan 8.300 nan 0.000 0.474 1387 L N 0.201 121.305 121.223 -0.200 0.000 2.046 1387 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 1387 L C 2.601 179.336 176.870 -0.225 0.000 1.077 1387 L CA 1.868 56.503 54.840 -0.343 0.000 0.747 1387 L CB -0.865 41.142 42.059 -0.087 0.000 0.896 1387 L HN 0.149 nan 8.230 nan 0.000 0.432 1388 K N -0.151 120.224 120.400 -0.042 0.000 2.044 1388 K HA -0.251 4.069 4.320 -0.000 0.000 0.210 1388 K C 2.431 179.005 176.600 -0.044 0.000 1.049 1388 K CA 1.920 58.220 56.287 0.023 0.000 0.927 1388 K CB -0.164 32.346 32.500 0.016 0.000 0.713 1388 K HN 0.134 nan 8.250 nan 0.000 0.443 1389 S N -0.142 115.489 115.700 -0.116 0.000 2.353 1389 S HA -0.125 4.345 4.470 -0.000 0.000 0.222 1389 S C 1.929 176.412 174.600 -0.194 0.000 1.035 1389 S CA 1.573 59.693 58.200 -0.134 0.000 1.025 1389 S CB -0.296 62.828 63.200 -0.127 0.000 0.902 1389 S HN 0.236 nan 8.310 nan 0.000 0.440 1390 V N 2.254 121.938 119.914 -0.384 0.000 2.343 1390 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 1390 V C 2.470 178.417 176.094 -0.246 0.000 1.051 1390 V CA 2.067 64.129 62.300 -0.398 0.000 1.036 1390 V CB -0.998 30.434 31.823 -0.653 0.000 0.654 1390 V HN 0.586 nan 8.190 nan 0.000 0.451 1391 H N -0.233 118.748 119.070 -0.149 0.000 2.352 1391 H HA -0.139 4.417 4.556 -0.000 0.000 0.299 1391 H C 2.702 177.990 175.328 -0.066 0.000 1.097 1391 H CA 1.857 57.850 56.048 -0.091 0.000 1.311 1391 H CB -0.506 29.210 29.762 -0.078 0.000 1.377 1391 H HN 0.472 nan 8.280 nan 0.000 0.504 1392 S N 0.772 116.503 115.700 0.051 0.000 2.359 1392 S HA -0.149 4.321 4.470 -0.000 0.000 0.223 1392 S C 2.331 176.937 174.600 0.012 0.000 1.039 1392 S CA 1.810 60.022 58.200 0.020 0.000 1.042 1392 S CB -0.519 62.676 63.200 -0.008 0.000 0.915 1392 S HN 0.520 nan 8.310 nan 0.000 0.439 1393 I N -0.909 119.654 120.570 -0.011 0.000 2.493 1393 I HA -0.045 4.125 4.170 -0.000 0.000 0.254 1393 I C 2.130 178.257 176.117 0.017 0.000 1.160 1393 I CA 1.261 62.561 61.300 -0.000 0.000 1.445 1393 I CB -0.474 37.519 38.000 -0.011 0.000 1.086 1393 I HN 0.265 nan 8.210 nan 0.000 0.433 1394 L N 0.789 122.024 121.223 0.020 0.000 2.072 1394 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 1394 L C 2.976 179.887 176.870 0.068 0.000 1.079 1394 L CA 1.310 56.176 54.840 0.043 0.000 0.752 1394 L CB -0.609 41.479 42.059 0.048 0.000 0.906 1394 L HN 0.270 nan 8.230 nan 0.000 0.436 1395 R N 0.551 121.088 120.500 0.063 0.000 2.103 1395 R HA -0.212 4.128 4.340 -0.000 0.000 0.234 1395 R C 1.942 178.303 176.300 0.102 0.000 1.132 1395 R CA 2.316 58.459 56.100 0.071 0.000 0.925 1395 R CB -0.313 30.013 30.300 0.044 0.000 0.842 1395 R HN 0.332 nan 8.270 nan 0.000 0.430 1396 D N 0.344 120.782 120.400 0.062 0.000 2.123 1396 D HA -0.209 4.431 4.640 -0.000 0.000 0.196 1396 D C 1.752 178.082 176.300 0.050 0.000 0.992 1396 D CA 1.206 55.234 54.000 0.047 0.000 0.833 1396 D CB -0.230 40.585 40.800 0.025 0.000 0.954 1396 D HN 0.359 nan 8.370 nan 0.000 0.455 1397 K N 0.290 120.725 120.400 0.057 0.000 2.044 1397 K HA -0.262 4.058 4.320 -0.000 0.000 0.210 1397 K C 2.195 178.838 176.600 0.072 0.000 1.049 1397 K CA 1.484 57.802 56.287 0.052 0.000 0.927 1397 K CB -0.181 32.351 32.500 0.054 0.000 0.713 1397 K HN 0.107 nan 8.250 nan 0.000 0.443 1398 H N 0.751 119.825 119.070 0.006 0.000 2.319 1398 H HA -0.101 4.455 4.556 -0.000 0.000 0.297 1398 H C 1.958 177.287 175.328 0.003 0.000 1.097 1398 H CA 2.291 58.342 56.048 0.006 0.000 1.285 1398 H CB 0.047 29.813 29.762 0.006 0.000 1.368 1398 H HN 0.199 nan 8.280 nan 0.000 0.495 1399 R N 0.051 120.523 120.500 -0.047 0.000 2.127 1399 R HA -0.212 4.128 4.340 -0.000 0.000 0.228 1399 R C 2.675 178.909 176.300 -0.110 0.000 1.125 1399 R CA 2.176 58.215 56.100 -0.102 0.000 0.904 1399 R CB -0.453 29.835 30.300 -0.020 0.000 0.831 1399 R HN 0.525 nan 8.270 nan 0.000 0.431 1400 R N 0.981 121.449 120.500 -0.054 0.000 2.119 1400 R HA -0.199 4.141 4.340 -0.000 0.000 0.246 1400 R C 1.272 177.537 176.300 -0.059 0.000 1.146 1400 R CA 1.451 57.525 56.100 -0.044 0.000 0.962 1400 R CB -0.344 29.944 30.300 -0.021 0.000 0.863 1400 R HN 0.180 nan 8.270 nan 0.000 0.442 1401 Q N 0.000 119.759 119.800 -0.069 0.000 2.315 1401 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1401 Q CA 0.000 55.764 55.803 -0.066 0.000 1.022 1401 Q CB 0.000 28.725 28.738 -0.021 0.000 1.108 1401 Q HN 0.000 nan 8.270 nan 0.000 0.481