data_2i2h_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2i2h _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 1.655 HD12 ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.405 -2.676 0 CA-C-O 121.398 0.618 . . . . 2.56 111.747 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -53.04 -63.58 1.1 Allowed 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.854 -1.154 . . . . 1.56 110.224 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.975 HG22 ' CB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -50.64 -62.09 1.81 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.147 -0.971 . . . . 1.06 110.081 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 1.4 m-85 -42.1 -41.8 2.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.4 -0.813 . . . . 2.01 109.918 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -33.02 72.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.315 -0.865 . . . . 3.07 109.869 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 1.601 ' HG2' ' CD ' ' A' ' 9' ' ' ARG . 17.3 ttt180 -68.48 -46.54 69.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 3.99 109.894 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 1.651 HD12 ' CD2' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -69.29 -37.35 77.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -0.927 . . . . 2.18 109.995 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.448 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -66.21 -48.04 71.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 2.33 110.084 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 1.207 ' OD1' ' CB ' ' A' ' 12' ' ' ASN . 13.4 t-20 -65.99 -46.54 77.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.153 -0.967 . . . . 1.82 110.157 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 1.542 ' HD2' ' CG ' ' A' ' 13' ' ' ARG . 38.9 ttt180 -60.63 -44.5 96.3 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.935 . . . . 4.13 110.171 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 1.046 ' OG ' ' CA ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -66.91 -40.51 87.72 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.116 -0.99 . . . . 1.67 110.253 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -66.52 -36.92 83.9 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.082 -1.011 . . . . 2.73 110.353 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 1.485 HG23 ' CB ' ' A' ' 16' ' ' THR . 6.5 m -66.0 -40.59 91.29 Favored 'General case' 1 C--O 1.15 -4.137 0 O-C-N 120.998 -1.064 . . . . 1.82 110.723 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 1.649 ' HG2' ' CB ' ' A' ' 17' ' ' GLN 0.345 5.7 tt0 -89.71 -48.86 7.0 Favored 'General case' 3 C--O 0.952 -14.595 0 CA-C-O 127.612 3.577 . . . . 3.86 117.255 -179.99 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 1.445 ' HB2' ' CA ' ' A' ' 18' ' ' ALA 1.121 . . . . . . . 4 C--O 0.187 -54.827 3 CA-C-O 162.656 20.265 . . . . 3.63 126.591 179.996 . . . . . . . . 4 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 120.997 0.427 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.447 ' O ' ' HB3' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -59.63 -70.33 0.17 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.99 -1.069 . . . . 0.0 110.083 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -50.37 -62.5 1.55 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 110.072 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -42.31 -41.37 2.78 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.323 -0.861 . . . . 0.0 109.762 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.447 ' HB3' ' O ' ' A' ' 5' ' ' SER . 19.9 t80 -68.15 -34.01 75.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.308 -0.87 . . . . 0.0 109.693 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.3 mtt180 -67.85 -45.64 74.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.267 -0.896 . . . . 0.0 109.78 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.1 tp -68.47 -35.6 77.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 109.903 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -66.33 -49.63 66.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.274 -0.891 . . . . 0.0 110.01 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -64.5 -47.45 78.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.308 -0.87 . . . . 0.0 110.149 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -61.52 -42.12 98.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.268 -0.895 . . . . 0.0 110.189 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.1 p -63.29 -48.11 79.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.257 -0.902 . . . . 0.0 110.158 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -31.8 73.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.0 110.155 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.1 m -63.25 -21.01 65.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.247 -0.908 . . . . 0.0 110.202 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -105.47 -72.24 0.72 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.239 -0.913 . . . . 0.0 110.245 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.226 -0.921 . . . . 0.0 110.247 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.222 0.534 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 p -46.46 -59.31 3.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 0.0 110.051 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.2 -62.5 1.61 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.23 -0.919 . . . . 0.0 110.078 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -41.85 -42.9 2.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.342 -0.849 . . . . 0.0 109.881 179.796 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -33.33 74.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.35 -0.844 . . . . 0.0 109.781 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' THR . 3.2 ttp180 -66.78 -43.27 84.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.227 -0.921 . . . . 0.0 109.765 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.78 -41.13 75.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.327 -0.858 . . . . 0.0 110.012 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.77 -53.02 60.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 110.144 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.463 ' O ' ' OG1' ' A' ' 16' ' ' THR . 63.4 t30 -62.46 -53.2 58.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.405 -0.809 . . . . 0.0 110.116 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.446 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.3 mmt85 -49.79 -48.86 50.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.208 -0.933 . . . . 0.0 110.164 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 t -61.52 -45.03 95.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.331 -0.856 . . . . 0.0 110.159 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -24.32 65.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 110.212 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -86.91 -23.52 25.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.207 -0.933 . . . . 0.0 110.236 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -76.73 -73.03 0.31 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.149 -0.97 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.263 -0.898 . . . . 0.0 110.224 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.261 0.553 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -50.23 -55.96 13.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.135 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -53.2 -63.06 1.27 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.906 . . . . 0.0 110.172 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -41.81 -42.26 2.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.868 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -67.83 -34.18 76.22 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.366 -0.833 . . . . 0.0 109.624 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -65.91 -44.43 85.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.277 -0.889 . . . . 0.0 109.712 179.591 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -40.23 81.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.37 -0.831 . . . . 0.0 109.939 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -61.65 -47.93 83.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.889 . . . . 0.0 110.023 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.441 ' O ' ' OG1' ' A' ' 16' ' ' THR . 9.2 t-20 -65.02 -47.5 77.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.228 -0.92 . . . . 0.0 110.131 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -57.12 -47.37 81.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 110.157 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -41.08 97.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 0.0 110.207 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.47 -25.4 61.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.295 -0.878 . . . . 0.0 110.29 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 8.1 m -90.68 -25.02 20.27 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 0.0 110.222 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -71.87 -59.9 2.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 110.195 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.221 -0.925 . . . . 0.0 110.228 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.205 0.526 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -49.9 -61.92 1.86 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.191 -0.943 . . . . 0.0 110.153 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -50.9 -63.21 1.2 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 110.049 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.463 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 5.6 m-85 -42.15 -41.48 2.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.37 -0.832 . . . . 0.0 109.868 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -69.16 -32.18 71.34 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.859 179.647 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.5 tpt85 -69.67 -49.94 48.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 109.944 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -32.71 72.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.277 -0.89 . . . . 0.0 110.024 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.463 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 1.5 m-85 -70.15 -49.86 46.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.233 -0.917 . . . . 0.0 110.117 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -65.28 -44.29 88.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 0.0 110.082 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -64.68 -40.36 95.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.194 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.0 t -71.29 -39.02 71.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.304 -0.873 . . . . 0.0 110.108 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.5 m-85 -77.78 -24.45 48.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.225 -0.922 . . . . 0.0 110.239 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -70.85 -44.18 66.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 110.228 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -82.82 0.15 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.225 -0.922 . . . . 0.0 110.191 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 110.219 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 121.038 0.447 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.29 -68.83 0.19 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.114 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -50.78 -58.58 5.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 0.0 109.975 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.502 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -42.92 -40.13 2.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.298 -0.876 . . . . 0.0 109.79 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -72.22 -33.63 67.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.371 -0.831 . . . . 0.0 109.879 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' THR . 27.5 ttt85 -68.09 -47.67 67.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -0.892 . . . . 0.0 109.918 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.01 -35.48 69.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.047 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' PHE . 4.9 m-85 -65.92 -44.58 84.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.244 -0.91 . . . . 0.0 110.111 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -71.78 -47.79 51.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.179 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -38.72 90.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 0.0 110.175 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.0 m -81.0 -37.35 29.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 0.0 110.199 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.52 ' CB ' ' O ' ' A' ' 11' ' ' PHE . 74.1 t80 -77.52 -15.41 59.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.23 -0.919 . . . . 0.0 110.219 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -82.46 -33.55 28.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.289 -0.882 . . . . 0.0 110.22 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 tm0? -107.55 -13.08 15.15 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.216 -0.928 . . . . 0.0 110.222 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.318 -0.864 . . . . 0.0 110.231 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.201 0.524 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -49.17 -61.51 2.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.269 -0.894 . . . . 0.0 110.103 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -52.65 -62.89 1.35 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 110.126 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -42.07 -41.61 2.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.406 -0.809 . . . . 0.0 109.922 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 80.9 t80 -69.75 -32.51 71.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.0 109.901 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -67.92 -46.01 72.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.322 -0.861 . . . . 0.0 109.832 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.34 -35.03 71.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.284 -0.885 . . . . 0.0 110.037 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -68.09 -45.84 72.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 110.104 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -69.46 -45.99 67.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.297 -0.877 . . . . 0.0 110.107 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -43.97 96.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.319 -0.863 . . . . 0.0 110.162 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.1 m -69.33 -38.58 78.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.91 . . . . 0.0 110.211 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 5.0 t80 -69.6 -35.17 75.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.263 -0.898 . . . . 0.0 110.188 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' GLN . 54.4 m -57.56 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -0.905 . . . . 0.0 110.161 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -44.16 -64.8 0.6 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 110.208 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.308 -0.87 . . . . 0.0 110.192 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.1 tp . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.251 0.548 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -49.97 -59.38 3.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -51.82 -63.17 1.22 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.22 -0.925 . . . . 0.0 110.103 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -41.68 -41.05 2.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.402 -0.811 . . . . 0.0 110.012 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -32.63 70.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.302 -0.874 . . . . 0.0 109.904 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -68.58 -49.58 58.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 109.953 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -68.37 -37.05 80.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 110.105 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -64.69 -47.27 79.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.196 -0.94 . . . . 0.0 110.177 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -67.64 -53.09 30.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.245 -0.909 . . . . 0.0 110.27 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.48 ' CG ' ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.81 -25.32 68.19 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.258 -0.901 . . . . 0.0 110.248 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 11.0 t -77.13 -46.38 23.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 0.0 110.164 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -36.15 76.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.276 -0.89 . . . . 0.0 110.221 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 m -44.69 -46.99 10.62 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.269 -0.895 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.1 -73.46 0.21 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.247 -0.908 . . . . 0.0 110.202 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.873 . . . . 0.0 110.183 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.212 0.53 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 6' ' ' THR . 83.1 p -46.84 -59.25 3.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 0.0 110.096 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -53.96 -62.23 1.79 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 110.208 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.1 m-30 -41.99 -41.67 2.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.394 -0.816 . . . . 0.0 109.934 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -70.06 -33.09 71.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.369 -0.832 . . . . 0.0 109.834 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -66.5 -45.75 78.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.903 . . . . 0.0 109.807 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 tt -71.11 -37.34 72.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.367 -0.833 . . . . 0.0 109.978 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -51.58 56.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 0.0 110.037 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.432 ' O ' ' OG1' ' A' ' 16' ' ' THR . 7.5 t-20 -65.2 -41.67 94.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.0 110.084 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -48.09 83.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.268 -0.895 . . . . 0.0 110.139 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -66.57 -37.39 84.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.0 110.186 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -47.8 83.86 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.315 -0.866 . . . . 0.0 110.228 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -53.58 -31.77 48.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.173 -0.955 . . . . 0.0 110.224 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -76.49 -65.29 0.95 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.934 . . . . 0.0 110.252 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 110.195 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.22 0.533 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -48.09 -60.23 2.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.239 -0.913 . . . . 0.0 110.134 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -52.02 -64.19 0.89 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.312 -0.868 . . . . 0.0 110.128 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -41.71 -41.62 2.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 109.948 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 4.6 m-85 -69.35 -32.11 70.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.267 -0.895 . . . . 0.0 109.953 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -71.36 -46.04 61.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.939 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.73 -37.27 79.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 110.045 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 2.1 t80 -69.16 -45.27 70.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 110.104 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -65.64 -45.35 83.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 0.0 110.195 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -42.15 96.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.341 -0.85 . . . . 0.0 110.201 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -64.12 -45.83 86.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.275 -0.891 . . . . 0.0 110.174 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -28.57 65.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 110.234 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.8 m -84.11 -28.53 27.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 110.256 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.437 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -95.89 -9.99 29.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.933 . . . . 0.0 110.164 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.233 -0.917 . . . . 0.0 110.19 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 121.029 0.443 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -56.03 -67.11 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.023 -1.048 . . . . 0.0 110.11 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.91 -59.29 4.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 0.0 110.067 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -42.38 -42.11 3.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.277 -0.89 . . . . 0.0 109.811 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -33.76 71.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.365 -0.834 . . . . 0.0 109.833 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -68.32 -46.25 70.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 109.903 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.9 -38.7 79.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.34 -0.85 . . . . 0.0 110.017 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 7.9 t80 -65.02 -44.25 89.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.28 -0.887 . . . . 0.0 110.093 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.62 -48.01 67.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.315 -0.866 . . . . 0.0 110.118 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -38.03 82.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.212 -0.93 . . . . 0.0 110.156 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -69.99 -48.02 59.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 0.0 110.197 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -42.77 89.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.301 -0.874 . . . . 0.0 110.177 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.44 HG21 ' O ' ' A' ' 16' ' ' THR . 21.6 m -66.17 -19.14 65.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.242 -0.911 . . . . 0.0 110.178 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -86.38 -51.88 5.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.892 . . . . 0.0 110.21 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.225 -0.922 . . . . 0.0 110.218 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.226 0.536 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 m -48.93 -60.01 3.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.32 -0.862 . . . . 0.0 110.208 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.75 -62.57 1.48 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.17 -0.957 . . . . 0.0 110.105 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -42.15 -41.28 2.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -0.807 . . . . 0.0 109.903 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.12 -32.97 72.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.364 -0.835 . . . . 0.0 109.832 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 6' ' ' THR . 14.2 ttt180 -68.9 -43.75 74.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.246 -0.909 . . . . 0.0 109.928 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tp -70.96 -37.11 72.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.239 -0.913 . . . . 0.0 110.036 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -67.13 -44.13 80.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -69.09 -49.7 54.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 0.0 110.164 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.86 -46.7 87.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' ALA . 34.5 t -64.93 -41.91 95.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.226 -0.921 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -61.18 -41.06 96.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.23 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.7 m -72.17 -24.83 61.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.283 -0.886 . . . . 0.0 110.228 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -101.13 -10.39 20.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.233 -0.917 . . . . 0.0 110.198 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' SER . . . . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.156 -0.965 . . . . 0.0 110.163 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 7' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 121.064 0.459 . . . . 0.0 110.601 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -56.12 -66.68 0.39 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.925 -1.11 . . . . 0.0 110.147 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.0 -61.16 2.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 0.0 110.109 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.467 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -42.3 -41.14 2.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.331 -0.856 . . . . 0.0 109.907 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -70.47 -32.75 70.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.256 -0.902 . . . . 0.0 109.926 179.571 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -67.71 -46.16 73.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.874 . . . . 0.0 109.911 179.722 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 14' ' ' SER . 0.6 OUTLIER -70.34 -39.29 74.8 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.32 -0.863 . . . . 0.0 109.99 179.781 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.452 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -64.21 -43.12 96.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.891 . . . . 0.0 110.1 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -69.82 -48.3 59.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.174 -0.954 . . . . 0.0 110.134 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -58.61 -42.14 87.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.18 -0.95 . . . . 0.0 110.2 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -69.27 -44.28 72.21 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 0.0 110.162 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.24 -43.93 88.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.249 -0.907 . . . . 0.0 110.149 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.9 m -81.79 -18.7 43.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.344 -0.847 . . . . 0.0 110.134 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 33.2 tt0 -87.88 -20.51 25.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.882 . . . . 0.0 110.169 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.256 -0.903 . . . . 0.0 110.229 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 120.984 0.421 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -55.8 -68.02 0.24 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.968 -1.082 . . . . 0.0 109.96 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -45.61 -58.94 3.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 0.0 109.721 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.461 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 24.7 m-85 -43.29 -40.97 3.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.866 . . . . 0.0 109.628 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -33.82 72.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.418 -0.801 . . . . 0.0 109.891 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 6' ' ' THR . 25.3 ttp85 -67.87 -49.89 59.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.302 -0.874 . . . . 0.0 109.818 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 tp -66.18 -37.54 85.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.368 -0.832 . . . . 0.0 109.962 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.461 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -64.24 -45.27 88.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.268 -0.895 . . . . 0.0 110.05 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -66.1 -52.0 52.79 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.314 -0.866 . . . . 0.0 110.135 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -52.92 63.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -0.906 . . . . 0.0 110.183 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 17' ' ' GLN . 3.9 t -57.06 -42.23 80.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.888 . . . . 0.0 110.162 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -60.18 -47.42 86.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.133 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -72.07 -21.53 61.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.458 ' HB3' ' O ' ' A' ' 14' ' ' SER . 22.5 tp60 -62.95 -68.27 0.35 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.298 -0.876 . . . . 0.0 110.233 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.901 . . . . 0.0 110.181 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 121.015 0.436 . . . . 0.0 110.62 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -59.33 -70.06 0.17 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.013 -1.054 . . . . 0.0 110.156 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -51.08 -62.29 1.7 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.244 -0.91 . . . . 0.0 110.076 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' THR . 4.2 m-85 -41.84 -41.74 2.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.281 -0.887 . . . . 0.0 109.928 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -69.73 -32.76 71.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.914 . . . . 0.0 109.916 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -69.12 -51.63 36.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.216 -0.928 . . . . 0.0 109.869 179.75 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -66.96 -33.21 75.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.0 110.03 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.49 -50.41 31.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.294 -0.879 . . . . 0.0 110.116 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -62.56 -40.76 97.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 110.067 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' O ' ' OG1' ' A' ' 16' ' ' THR . 21.2 mmm180 -66.31 -51.32 58.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.245 -0.909 . . . . 0.0 110.146 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.443 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -62.23 -30.48 71.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.098 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' THR . 40.5 t80 -72.01 -52.27 17.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.277 -0.889 . . . . 0.0 110.193 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 13' ' ' ARG . 40.8 p -43.81 -69.67 0.13 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.212 -0.93 . . . . 0.0 110.241 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.71 -85.47 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.194 -0.941 . . . . 0.0 110.204 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.89 . . . . 0.0 110.168 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.272 0.558 . . . . 0.0 110.176 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -65.41 0.58 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.232 -0.918 . . . . 0.0 110.23 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -50.07 -62.32 1.64 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 110.151 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 5.2 m-85 -41.8 -41.11 2.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.39 -0.819 . . . . 0.0 109.946 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -70.68 -32.61 69.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -0.877 . . . . 0.0 109.866 179.65 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 6' ' ' THR . 2.6 mmt180 -67.85 -46.4 71.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.259 -0.901 . . . . 0.0 109.86 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -70.32 -39.3 74.84 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.266 -0.896 . . . . 0.0 110.035 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 1.4 t80 -65.33 -46.09 81.69 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.217 -0.927 . . . . 0.0 110.056 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 5.8 t-20 -67.02 -44.27 80.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.208 -0.933 . . . . 0.0 110.081 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -60.39 -43.41 96.67 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.22 -0.925 . . . . 0.0 110.125 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -41.14 81.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.291 -0.881 . . . . 0.0 110.2 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' THR . 4.4 t80 -64.24 -37.44 87.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.287 -0.883 . . . . 0.0 110.202 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' PHE . 5.7 m -43.36 -27.41 0.25 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.895 . . . . 0.0 110.206 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 2.6 mt-30 -131.79 -74.44 0.52 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.243 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.257 0.551 . . . . 0.0 110.103 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -49.94 -60.21 3.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 110.139 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -48.81 -62.09 1.7 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 110.006 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.0 m-85 -42.69 -40.88 2.93 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.34 -0.85 . . . . 0.0 109.773 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.85 -33.13 73.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.375 -0.828 . . . . 0.0 109.864 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.2 mtt180 -68.49 -45.87 71.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.258 -0.901 . . . . 0.0 109.884 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -69.13 -36.94 78.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -0.834 . . . . 0.0 109.996 179.753 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -65.91 -52.5 49.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -63.41 -49.4 73.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.262 -0.899 . . . . 0.0 110.184 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -57.54 -39.46 76.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 0.0 110.203 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 10' ' ' LEU . 68.7 m -66.68 -48.56 68.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.278 -0.888 . . . . 0.0 110.136 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.442 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 4.8 t80 -64.43 -27.81 69.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 0.0 110.221 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -78.89 -60.7 2.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.176 -0.952 . . . . 0.0 110.29 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 16' ' ' THR . 3.0 mm-40 -42.82 -62.68 0.95 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.327 -0.858 . . . . 0.0 110.223 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 110.302 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 9.0 mt . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 120.887 0.375 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 p -58.42 -68.77 0.22 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.922 -1.111 . . . . 0.0 110.068 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -50.37 -60.82 2.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.278 -0.889 . . . . 0.0 109.972 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 65.5 m-85 -42.04 -41.98 2.74 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.319 -0.863 . . . . 0.0 109.906 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 4' ' ' LEU . 3.6 m-85 -70.52 -32.53 70.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.882 . . . . 0.0 109.965 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 1.4 ttm180 -70.07 -41.55 73.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 110.021 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -38.75 65.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.387 -0.821 . . . . 0.0 110.049 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -67.73 -45.93 73.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 0.0 110.121 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -69.96 -47.01 63.98 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.083 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -62.28 -42.56 99.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 0.0 110.149 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' ALA . 86.2 p -68.48 -40.92 80.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 110.194 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.3 m-85 -63.27 -42.57 99.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.339 -0.851 . . . . 0.0 110.201 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.3 p -62.99 -24.14 67.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.26 -0.9 . . . . 0.0 110.25 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -106.8 -11.8 15.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 0.0 110.202 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' SER . . . . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.306 -0.871 . . . . 0.0 110.228 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 120.982 0.42 . . . . 0.0 110.543 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -68.4 0.23 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.977 -1.077 . . . . 0.0 110.128 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -49.44 -59.22 3.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 0.0 109.96 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 6' ' ' THR . 45.8 m-85 -42.13 -43.46 3.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.894 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -69.15 -33.55 73.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.819 . . . . 0.0 109.965 179.573 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -67.61 -47.97 68.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.21 -0.931 . . . . 0.0 109.852 179.709 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 14' ' ' SER . 0.2 OUTLIER -67.0 -39.0 87.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.874 . . . . 0.0 109.976 179.774 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -62.98 -51.48 66.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.25 -0.906 . . . . 0.0 110.02 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -61.48 -51.51 68.36 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -0.905 . . . . 0.0 110.099 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -57.0 -54.64 44.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.312 -0.867 . . . . 0.0 110.16 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 1.4 m -51.86 -47.0 64.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.234 -0.916 . . . . 0.0 110.215 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -58.1 -46.22 85.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 0.0 110.117 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -51.63 -37.8 51.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.197 -0.939 . . . . 0.0 110.178 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 11.1 mm-40 -75.13 -74.56 0.2 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.893 . . . . 0.0 110.141 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.255 -0.903 . . . . 0.0 110.172 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 17.9 mt . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 120.85 0.357 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -58.67 -65.45 0.66 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.94 -1.1 . . . . 0.0 110.01 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -51.12 -60.53 3.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 0.0 109.979 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.9 m-85 -41.94 -43.98 3.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.407 -0.808 . . . . 0.0 109.866 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.436 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.6 OUTLIER -67.84 -33.69 75.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -0.855 . . . . 0.0 109.826 179.514 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -70.46 -43.8 69.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.338 -0.851 . . . . 0.0 109.773 179.78 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -38.75 84.48 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.317 -0.864 . . . . 0.0 109.922 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -46.22 72.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.886 . . . . 0.0 110.081 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 1.2 t-20 -63.16 -51.22 67.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.329 -0.857 . . . . 0.0 110.145 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.34 -49.98 75.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.2 -0.938 . . . . 0.0 110.114 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 18' ' ' ALA . 60.2 p -60.4 -34.99 74.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.139 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -50.53 63.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.207 -0.933 . . . . 0.0 110.14 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -34.62 74.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 0.0 110.167 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 1.1 tt0 -95.74 -9.47 31.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.347 -0.846 . . . . 0.0 110.177 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 14' ' ' SER . . . . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.265 -0.897 . . . . 0.0 110.172 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 1.4 tp . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 121.033 0.444 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 6' ' ' THR . 98.8 p -56.55 -67.8 0.27 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.994 -1.066 . . . . 0.0 110.147 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -48.35 -60.79 2.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.178 -0.951 . . . . 0.0 109.977 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' THR . 44.1 m-85 -41.84 -43.17 2.91 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.409 -0.807 . . . . 0.0 109.953 179.871 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.441 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -69.1 -33.05 72.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.347 -0.845 . . . . 0.0 109.931 179.654 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -68.01 -49.45 61.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 110.017 179.788 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tp -67.51 -36.92 82.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.862 . . . . 0.0 109.988 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.34 -51.26 64.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 0.0 110.054 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.52 -51.73 64.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.263 -0.898 . . . . 0.0 110.066 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.22 -39.05 78.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.302 -0.874 . . . . 0.0 110.128 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -64.88 -47.31 78.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 110.117 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -39.36 92.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 110.156 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 p -78.44 -26.48 46.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.195 -0.941 . . . . 0.0 110.157 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.7 -46.17 83.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 110.182 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.292 -0.88 . . . . 0.0 110.167 -179.981 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 9.7 mp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.21 0.528 . . . . 0.0 110.144 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.6 -61.03 2.54 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.135 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -51.18 -62.51 1.57 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.227 -0.921 . . . . 0.0 110.185 179.938 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 1.3 m-30 -41.72 -41.96 2.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 109.891 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -69.3 -33.05 72.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.33 -0.856 . . . . 0.0 109.836 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 6' ' ' THR . 10.6 tpt180 -67.47 -49.37 63.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 0.0 109.794 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -35.22 78.42 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 0.0 109.915 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 4.0 t80 -68.05 -46.32 71.42 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -0.925 . . . . 0.0 109.935 179.788 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.01 -46.45 81.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.286 -0.884 . . . . 0.0 110.024 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -42.43 98.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.348 -0.845 . . . . 0.0 110.104 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.9 p -70.27 -31.35 68.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.308 -0.87 . . . . 0.0 110.146 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -70.75 -42.56 70.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.302 -0.874 . . . . 0.0 110.201 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' PHE . 2.4 m -42.98 -26.76 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.228 -0.92 . . . . 0.0 110.188 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' PHE . 71.6 mt-30 -109.04 -69.24 0.87 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.233 -0.917 . . . . 0.0 110.236 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.289 -0.882 . . . . 0.0 110.184 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 1.49 ' HG ' ' C ' ' A' ' 1' ' ' SER 1.293 85.5 p . . . . . 3 N--CA 0.162 -64.826 2 N-CA-C 136.58 9.474 . . . . 6.87 136.58 . . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 1.498 ' HA2' ' C ' ' A' ' 2' ' ' GLY . . . 138.34 103.18 0.6 Allowed Glycine 4 N--CA 0.535 -61.382 5 CA-C-N 155.674 17.488 . . . . 4.28 140.964 179.725 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 1.523 ' HG1' ' CB ' ' A' ' 3' ' ' THR 0.943 0.0 OUTLIER -105.13 -33.86 8.13 Favored 'General case' 3 C--N 0.632 -30.587 5 CA-C-O 155.533 16.873 . . . . 3.69 134.792 -179.94 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 1.655 HD12 ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -33.2 -34.24 0.02 OUTLIER 'General case' 1 C--N 0.522 -35.37 1 O-C-N 80.842 -26.162 . . . . 2.56 111.747 -179.77 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -53.04 -63.58 1.1 Allowed 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.854 -1.154 . . . . 1.56 110.224 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.975 HG22 ' CB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -50.64 -62.09 1.81 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.147 -0.971 . . . . 1.06 110.081 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 1.4 m-85 -42.1 -41.8 2.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.4 -0.813 . . . . 2.01 109.918 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -33.02 72.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.315 -0.865 . . . . 3.07 109.869 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 1.601 ' HG2' ' CD ' ' A' ' 9' ' ' ARG . 17.3 ttt180 -68.48 -46.54 69.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 3.99 109.894 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 1.651 HD12 ' CD2' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -69.29 -37.35 77.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -0.927 . . . . 2.18 109.995 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.448 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -66.21 -48.04 71.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 2.33 110.084 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 1.207 ' OD1' ' CB ' ' A' ' 12' ' ' ASN . 13.4 t-20 -65.99 -46.54 77.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.153 -0.967 . . . . 1.82 110.157 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 1.542 ' HD2' ' CG ' ' A' ' 13' ' ' ARG . 38.9 ttt180 -60.63 -44.5 96.3 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.935 . . . . 4.13 110.171 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 1.046 ' OG ' ' CA ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -66.91 -40.51 87.72 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.116 -0.99 . . . . 1.67 110.253 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -66.52 -36.92 83.9 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.082 -1.011 . . . . 2.73 110.353 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 1.485 HG23 ' CB ' ' A' ' 16' ' ' THR . 6.5 m -66.0 -40.59 91.29 Favored 'General case' 1 C--O 1.15 -4.137 0 O-C-N 120.998 -1.064 . . . . 1.82 110.723 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 1.649 ' HG2' ' CB ' ' A' ' 17' ' ' GLN 0.345 5.7 tt0 -89.71 -48.86 7.0 Favored 'General case' 3 C--O 0.952 -14.595 0 CA-C-O 127.612 3.577 . . . . 3.86 117.255 -179.99 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 1.472 ' CB ' ' HN2' ' A' ' 19' ' ' NH2 1.121 . . -125.35 -30.77 3.1 Favored 'General case' 4 C--O 0.187 -54.827 3 CA-C-O 162.656 20.265 . . . . 3.63 126.591 179.996 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 1.472 ' HN2' ' CB ' ' A' ' 18' ' ' ALA . . . . . . . . 1 C--N 0.173 -50.571 2 O-C-N 38.029 -52.919 . . . . 4.58 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.287 0.565 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.48 -157.63 7.81 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -130.02 -51.54 1.12 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -1.13 . . . . 0.0 110.23 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER 71.33 0.22 3.36 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.282 -0.886 . . . . 0.0 110.533 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.447 ' O ' ' HB3' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -59.63 -70.33 0.17 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.99 -1.069 . . . . 0.0 110.083 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -50.37 -62.5 1.55 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 110.072 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -42.31 -41.37 2.78 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.323 -0.861 . . . . 0.0 109.762 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.447 ' HB3' ' O ' ' A' ' 5' ' ' SER . 19.9 t80 -68.15 -34.01 75.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.308 -0.87 . . . . 0.0 109.693 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.3 mtt180 -67.85 -45.64 74.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.267 -0.896 . . . . 0.0 109.78 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.1 tp -68.47 -35.6 77.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 109.903 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -66.33 -49.63 66.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.274 -0.891 . . . . 0.0 110.01 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -64.5 -47.45 78.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.308 -0.87 . . . . 0.0 110.149 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -61.52 -42.12 98.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.268 -0.895 . . . . 0.0 110.189 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.1 p -63.29 -48.11 79.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.257 -0.902 . . . . 0.0 110.158 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -31.8 73.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.0 110.155 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.1 m -63.25 -21.01 65.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.247 -0.908 . . . . 0.0 110.202 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -105.47 -72.24 0.72 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.239 -0.913 . . . . 0.0 110.245 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.33 51.77 0.47 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.226 -0.921 . . . . 0.0 110.247 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.877 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.242 0.544 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.04 63.88 0.02 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.2 OUTLIER -121.11 -70.37 0.79 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -1.158 . . . . 0.0 110.285 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 mp -45.94 -51.02 14.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.263 -0.898 . . . . 0.0 110.172 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 p -46.46 -59.31 3.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 0.0 110.051 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.2 -62.5 1.61 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.23 -0.919 . . . . 0.0 110.078 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -41.85 -42.9 2.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.342 -0.849 . . . . 0.0 109.881 179.796 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -33.33 74.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.35 -0.844 . . . . 0.0 109.781 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' THR . 3.2 ttp180 -66.78 -43.27 84.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.227 -0.921 . . . . 0.0 109.765 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.78 -41.13 75.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.327 -0.858 . . . . 0.0 110.012 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.77 -53.02 60.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 110.144 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.463 ' O ' ' OG1' ' A' ' 16' ' ' THR . 63.4 t30 -62.46 -53.2 58.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.405 -0.809 . . . . 0.0 110.116 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.446 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.3 mmt85 -49.79 -48.86 50.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.208 -0.933 . . . . 0.0 110.164 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 t -61.52 -45.03 95.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.331 -0.856 . . . . 0.0 110.159 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -24.32 65.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 110.212 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -86.91 -23.52 25.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.207 -0.933 . . . . 0.0 110.236 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -76.73 -73.03 0.31 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.149 -0.97 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.51 -24.89 7.64 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.263 -0.898 . . . . 0.0 110.224 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.402 ' O ' ' OG ' ' A' ' 1' ' ' SER . 3.8 p . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.235 0.54 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 3' ' ' THR . . . 173.61 96.86 0.1 Allowed Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 2' ' ' GLY . 20.7 p -42.74 -40.87 2.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.3 -1.117 . . . . 0.0 110.204 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tt -65.9 -54.81 21.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.291 -0.881 . . . . 0.0 110.19 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -50.23 -55.96 13.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.135 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -53.2 -63.06 1.27 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.906 . . . . 0.0 110.172 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -41.81 -42.26 2.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.868 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -67.83 -34.18 76.22 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.366 -0.833 . . . . 0.0 109.624 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -65.91 -44.43 85.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.277 -0.889 . . . . 0.0 109.712 179.591 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -40.23 81.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.37 -0.831 . . . . 0.0 109.939 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -61.65 -47.93 83.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.889 . . . . 0.0 110.023 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.441 ' O ' ' OG1' ' A' ' 16' ' ' THR . 9.2 t-20 -65.02 -47.5 77.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.228 -0.92 . . . . 0.0 110.131 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -57.12 -47.37 81.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 110.157 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -41.08 97.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 0.0 110.207 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.47 -25.4 61.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.295 -0.878 . . . . 0.0 110.29 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 8.1 m -90.68 -25.02 20.27 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 0.0 110.222 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -71.87 -59.9 2.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 110.195 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.91 139.7 46.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.221 -0.925 . . . . 0.0 110.228 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.492 ' OG ' ' N ' ' A' ' 2' ' ' GLY . 25.0 p . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.293 0.568 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.492 ' N ' ' OG ' ' A' ' 1' ' ' SER . . . 111.15 -165.26 12.13 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 4' ' ' LEU . 1.3 p -138.16 -81.22 0.34 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -1.19 . . . . 0.0 110.19 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' THR . 0.3 OUTLIER -43.15 -50.94 6.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.314 -0.866 . . . . 0.0 110.258 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -49.9 -61.92 1.86 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.191 -0.943 . . . . 0.0 110.153 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -50.9 -63.21 1.2 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 110.049 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.463 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 5.6 m-85 -42.15 -41.48 2.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.37 -0.832 . . . . 0.0 109.868 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -69.16 -32.18 71.34 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.859 179.647 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.5 tpt85 -69.67 -49.94 48.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 109.944 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -32.71 72.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.277 -0.89 . . . . 0.0 110.024 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.463 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 1.5 m-85 -70.15 -49.86 46.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.233 -0.917 . . . . 0.0 110.117 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -65.28 -44.29 88.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 0.0 110.082 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -64.68 -40.36 95.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.194 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.0 t -71.29 -39.02 71.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.304 -0.873 . . . . 0.0 110.108 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.5 m-85 -77.78 -24.45 48.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.225 -0.922 . . . . 0.0 110.239 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -70.85 -44.18 66.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 110.228 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -82.82 0.15 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.225 -0.922 . . . . 0.0 110.191 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.8 148.98 34.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 110.219 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.76 -1.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.452 ' O ' ' OG ' ' A' ' 1' ' ' SER . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.255 0.55 . . . . 0.0 110.218 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -126.03 -82.58 0.46 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -86.45 -61.36 1.76 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.219 -1.165 . . . . 0.0 110.238 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.529 ' CB ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER 71.85 -0.52 3.16 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.389 -0.819 . . . . 0.0 110.539 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.29 -68.83 0.19 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.114 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -50.78 -58.58 5.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 0.0 109.975 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.502 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -42.92 -40.13 2.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.298 -0.876 . . . . 0.0 109.79 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -72.22 -33.63 67.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.371 -0.831 . . . . 0.0 109.879 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' THR . 27.5 ttt85 -68.09 -47.67 67.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -0.892 . . . . 0.0 109.918 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.01 -35.48 69.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.047 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' PHE . 4.9 m-85 -65.92 -44.58 84.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.244 -0.91 . . . . 0.0 110.111 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -71.78 -47.79 51.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.179 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -38.72 90.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 0.0 110.175 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.0 m -81.0 -37.35 29.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 0.0 110.199 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.52 ' CB ' ' O ' ' A' ' 11' ' ' PHE . 74.1 t80 -77.52 -15.41 59.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.23 -0.919 . . . . 0.0 110.219 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -82.46 -33.55 28.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.289 -0.882 . . . . 0.0 110.22 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 tm0? -107.55 -13.08 15.15 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.216 -0.928 . . . . 0.0 110.222 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -160.15 85.11 0.73 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -0.864 . . . . 0.0 110.231 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.239 0.542 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.465 ' O ' ' HB2' ' A' ' 5' ' ' SER . . . -157.15 89.32 0.11 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.31 -46.57 9.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.254 -1.145 . . . . 0.0 110.203 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.1 mt -45.46 -49.58 13.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.242 -0.911 . . . . 0.0 110.151 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.465 ' HB2' ' O ' ' A' ' 2' ' ' GLY . 3.1 m -49.17 -61.51 2.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.269 -0.894 . . . . 0.0 110.103 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -52.65 -62.89 1.35 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 110.126 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -42.07 -41.61 2.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.406 -0.809 . . . . 0.0 109.922 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 80.9 t80 -69.75 -32.51 71.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.0 109.901 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -67.92 -46.01 72.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.322 -0.861 . . . . 0.0 109.832 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.34 -35.03 71.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.284 -0.885 . . . . 0.0 110.037 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -68.09 -45.84 72.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 110.104 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -69.46 -45.99 67.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.297 -0.877 . . . . 0.0 110.107 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -43.97 96.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.319 -0.863 . . . . 0.0 110.162 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.1 m -69.33 -38.58 78.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.91 . . . . 0.0 110.211 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 5.0 t80 -69.6 -35.17 75.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.263 -0.898 . . . . 0.0 110.188 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' GLN . 54.4 m -57.56 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -0.905 . . . . 0.0 110.161 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -44.16 -64.8 0.6 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 110.208 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.28 115.99 28.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.308 -0.87 . . . . 0.0 110.192 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.161 0.505 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.66 -171.79 42.46 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.84 -20.82 64.31 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.251 -1.147 . . . . 0.0 110.257 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.1 tp -63.3 -51.59 65.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.294 -0.879 . . . . 0.0 110.168 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -49.97 -59.38 3.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -51.82 -63.17 1.22 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.22 -0.925 . . . . 0.0 110.103 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -41.68 -41.05 2.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.402 -0.811 . . . . 0.0 110.012 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -32.63 70.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.302 -0.874 . . . . 0.0 109.904 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -68.58 -49.58 58.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 109.953 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -68.37 -37.05 80.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 110.105 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -64.69 -47.27 79.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.196 -0.94 . . . . 0.0 110.177 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -67.64 -53.09 30.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.245 -0.909 . . . . 0.0 110.27 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' CG ' ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.81 -25.32 68.19 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.258 -0.901 . . . . 0.0 110.248 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 11.0 t -77.13 -46.38 23.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 0.0 110.164 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -36.15 76.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.276 -0.89 . . . . 0.0 110.221 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 m -44.69 -46.99 10.62 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.269 -0.895 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.1 -73.46 0.21 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.247 -0.908 . . . . 0.0 110.202 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.21 11.93 0.82 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.873 . . . . 0.0 110.183 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . 0.45 ' N ' ' HA ' ' A' ' 14' ' ' SER . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.884 -1.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.5 p . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.243 0.544 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.64 65.93 1.44 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p -100.2 -59.15 1.76 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.184 -1.186 . . . . 0.0 110.18 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tp -49.44 -50.73 39.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.236 -0.915 . . . . 0.0 110.191 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 6' ' ' THR . 83.1 p -46.84 -59.25 3.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 0.0 110.096 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -53.96 -62.23 1.79 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 110.208 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.1 m-30 -41.99 -41.67 2.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.394 -0.816 . . . . 0.0 109.934 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -70.06 -33.09 71.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.369 -0.832 . . . . 0.0 109.834 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -66.5 -45.75 78.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.903 . . . . 0.0 109.807 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 tt -71.11 -37.34 72.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.367 -0.833 . . . . 0.0 109.978 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -51.58 56.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 0.0 110.037 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.432 ' O ' ' OG1' ' A' ' 16' ' ' THR . 7.5 t-20 -65.2 -41.67 94.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.0 110.084 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -48.09 83.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.268 -0.895 . . . . 0.0 110.139 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -66.57 -37.39 84.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.0 110.186 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -47.8 83.86 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.315 -0.866 . . . . 0.0 110.228 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -53.58 -31.77 48.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.173 -0.955 . . . . 0.0 110.224 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -76.49 -65.29 0.95 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.934 . . . . 0.0 110.252 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.95 89.85 1.78 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 110.195 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.29 0.567 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.57 134.73 1.7 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -88.34 -36.15 16.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.23 -1.159 . . . . 0.0 110.256 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 3' ' ' THR . 0.3 OUTLIER -42.97 -52.64 5.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.316 -0.865 . . . . 0.0 110.122 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -48.09 -60.23 2.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.239 -0.913 . . . . 0.0 110.134 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -52.02 -64.19 0.89 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.312 -0.868 . . . . 0.0 110.128 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -41.71 -41.62 2.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 109.948 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.462 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 4.6 m-85 -69.35 -32.11 70.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.267 -0.895 . . . . 0.0 109.953 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -71.36 -46.04 61.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.939 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.73 -37.27 79.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 110.045 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 2.1 t80 -69.16 -45.27 70.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 110.104 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -65.64 -45.35 83.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 0.0 110.195 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -42.15 96.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.341 -0.85 . . . . 0.0 110.201 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -64.12 -45.83 86.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.275 -0.891 . . . . 0.0 110.174 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -28.57 65.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 110.234 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.8 m -84.11 -28.53 27.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 110.256 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -95.89 -9.99 29.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.933 . . . . 0.0 110.164 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . 57.43 54.11 6.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.233 -0.917 . . . . 0.0 110.19 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.854 -1.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.168 0.509 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 124.23 -60.79 0.6 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -159.15 -57.95 0.07 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.244 -1.151 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER 71.68 -0.13 3.28 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.342 -0.849 . . . . 0.0 110.503 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -56.03 -67.11 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.023 -1.048 . . . . 0.0 110.11 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.91 -59.29 4.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 0.0 110.067 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -42.38 -42.11 3.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.277 -0.89 . . . . 0.0 109.811 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -33.76 71.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.365 -0.834 . . . . 0.0 109.833 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -68.32 -46.25 70.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 109.903 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.9 -38.7 79.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.34 -0.85 . . . . 0.0 110.017 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 7.9 t80 -65.02 -44.25 89.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.28 -0.887 . . . . 0.0 110.093 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.62 -48.01 67.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.315 -0.866 . . . . 0.0 110.118 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -38.03 82.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.212 -0.93 . . . . 0.0 110.156 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -69.99 -48.02 59.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 0.0 110.197 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -42.77 89.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.301 -0.874 . . . . 0.0 110.177 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.44 HG21 ' O ' ' A' ' 16' ' ' THR . 21.6 m -66.17 -19.14 65.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.242 -0.911 . . . . 0.0 110.178 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -86.38 -51.88 5.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.892 . . . . 0.0 110.21 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.65 89.91 5.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.225 -0.922 . . . . 0.0 110.218 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.276 0.56 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.13 97.58 0.01 OUTLIER Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.447 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 15.5 m -110.88 -46.97 3.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -1.142 . . . . 0.0 110.193 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.24 -62.03 1.87 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.223 -0.923 . . . . 0.0 110.149 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 m -48.93 -60.01 3.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.32 -0.862 . . . . 0.0 110.208 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.75 -62.57 1.48 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.17 -0.957 . . . . 0.0 110.105 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -42.15 -41.28 2.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -0.807 . . . . 0.0 109.903 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.12 -32.97 72.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.364 -0.835 . . . . 0.0 109.832 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 6' ' ' THR . 14.2 ttt180 -68.9 -43.75 74.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.246 -0.909 . . . . 0.0 109.928 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tp -70.96 -37.11 72.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.239 -0.913 . . . . 0.0 110.036 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -67.13 -44.13 80.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -69.09 -49.7 54.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 0.0 110.164 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.86 -46.7 87.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' ALA . 34.5 t -64.93 -41.91 95.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.226 -0.921 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -61.18 -41.06 96.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.23 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.7 m -72.17 -24.83 61.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.283 -0.886 . . . . 0.0 110.228 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -101.13 -10.39 20.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.233 -0.917 . . . . 0.0 110.198 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 49.68 -172.84 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.156 -0.965 . . . . 0.0 110.163 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 2' ' ' GLY . 3.6 m . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.301 0.572 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 1' ' ' SER . . . -55.58 -167.32 0.05 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -96.09 -87.2 0.3 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.289 -1.124 . . . . 0.0 110.208 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.514 ' CB ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER 71.55 -0.29 3.2 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.322 -0.861 . . . . 0.0 110.601 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -56.12 -66.68 0.39 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.925 -1.11 . . . . 0.0 110.147 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.0 -61.16 2.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 0.0 110.109 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.467 ' HB3' ' CD1' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -42.3 -41.14 2.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.331 -0.856 . . . . 0.0 109.907 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -70.47 -32.75 70.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.256 -0.902 . . . . 0.0 109.926 179.571 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -67.71 -46.16 73.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.874 . . . . 0.0 109.911 179.722 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 14' ' ' SER . 0.6 OUTLIER -70.34 -39.29 74.8 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.32 -0.863 . . . . 0.0 109.99 179.781 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.452 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -64.21 -43.12 96.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.891 . . . . 0.0 110.1 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -69.82 -48.3 59.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.174 -0.954 . . . . 0.0 110.134 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -58.61 -42.14 87.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.18 -0.95 . . . . 0.0 110.2 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -69.27 -44.28 72.21 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 0.0 110.162 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.24 -43.93 88.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.249 -0.907 . . . . 0.0 110.149 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.9 m -81.79 -18.7 43.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.344 -0.847 . . . . 0.0 110.134 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 33.2 tt0 -87.88 -20.51 25.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.882 . . . . 0.0 110.169 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' A' ' 17' ' ' GLN . . . 61.51 117.42 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.256 -0.903 . . . . 0.0 110.229 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.885 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.315 0.579 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.416 ' C ' ' OG1' ' A' ' 3' ' ' THR . . . -54.48 -68.88 1.44 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -162.54 -61.76 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.234 -1.157 . . . . 0.0 110.227 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.514 ' CB ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER 71.65 -0.44 3.16 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.32 -0.862 . . . . 0.0 110.574 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -55.8 -68.02 0.24 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.968 -1.082 . . . . 0.0 109.96 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -45.61 -58.94 3.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 0.0 109.721 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.461 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 24.7 m-85 -43.29 -40.97 3.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.866 . . . . 0.0 109.628 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -33.82 72.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.418 -0.801 . . . . 0.0 109.891 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 6' ' ' THR . 25.3 ttp85 -67.87 -49.89 59.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.302 -0.874 . . . . 0.0 109.818 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 tp -66.18 -37.54 85.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.368 -0.832 . . . . 0.0 109.962 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.461 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -64.24 -45.27 88.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.268 -0.895 . . . . 0.0 110.05 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -66.1 -52.0 52.79 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.314 -0.866 . . . . 0.0 110.135 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -52.92 63.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -0.906 . . . . 0.0 110.183 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 17' ' ' GLN . 3.9 t -57.06 -42.23 80.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.888 . . . . 0.0 110.162 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -60.18 -47.42 86.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.133 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -72.07 -21.53 61.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.458 ' HB3' ' O ' ' A' ' 14' ' ' SER . 22.5 tp60 -62.95 -68.27 0.35 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.298 -0.876 . . . . 0.0 110.233 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.57 173.48 0.08 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.901 . . . . 0.0 110.181 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.4 t . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.219 0.533 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.91 69.47 1.23 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 2.6 m -88.15 -48.19 7.9 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.224 -1.162 . . . . 0.0 110.168 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER 71.89 -0.89 3.04 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.333 -0.854 . . . . 0.0 110.62 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -59.33 -70.06 0.17 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.013 -1.054 . . . . 0.0 110.156 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -51.08 -62.29 1.7 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.244 -0.91 . . . . 0.0 110.076 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' THR . 4.2 m-85 -41.84 -41.74 2.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.281 -0.887 . . . . 0.0 109.928 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -69.73 -32.76 71.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.914 . . . . 0.0 109.916 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -69.12 -51.63 36.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.216 -0.928 . . . . 0.0 109.869 179.75 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' O ' ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -66.96 -33.21 75.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.0 110.03 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.49 -50.41 31.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.294 -0.879 . . . . 0.0 110.116 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -62.56 -40.76 97.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 110.067 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' O ' ' OG1' ' A' ' 16' ' ' THR . 21.2 mmm180 -66.31 -51.32 58.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.245 -0.909 . . . . 0.0 110.146 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.443 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -62.23 -30.48 71.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.098 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' THR . 40.5 t80 -72.01 -52.27 17.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.277 -0.889 . . . . 0.0 110.193 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 13' ' ' ARG . 40.8 p -43.81 -69.67 0.13 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.212 -0.93 . . . . 0.0 110.241 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.71 -85.47 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.194 -0.941 . . . . 0.0 110.204 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.1 -73.08 0.66 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.89 . . . . 0.0 110.168 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.919 -1.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.21 0.529 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.77 148.62 16.44 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.3 p -127.03 -40.96 1.83 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.2 -1.176 . . . . 0.0 110.208 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -48.15 -48.93 33.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.0 110.176 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -65.41 0.58 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.232 -0.918 . . . . 0.0 110.23 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -50.07 -62.32 1.64 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 110.151 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 5.2 m-85 -41.8 -41.11 2.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.39 -0.819 . . . . 0.0 109.946 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -70.68 -32.61 69.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -0.877 . . . . 0.0 109.866 179.65 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 6' ' ' THR . 2.6 mmt180 -67.85 -46.4 71.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.259 -0.901 . . . . 0.0 109.86 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -70.32 -39.3 74.84 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.266 -0.896 . . . . 0.0 110.035 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 1.4 t80 -65.33 -46.09 81.69 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.217 -0.927 . . . . 0.0 110.056 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 5.8 t-20 -67.02 -44.27 80.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.208 -0.933 . . . . 0.0 110.081 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -60.39 -43.41 96.67 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.22 -0.925 . . . . 0.0 110.125 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -41.14 81.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.291 -0.881 . . . . 0.0 110.2 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' THR . 4.4 t80 -64.24 -37.44 87.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.287 -0.883 . . . . 0.0 110.202 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' PHE . 5.7 m -43.36 -27.41 0.25 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.895 . . . . 0.0 110.206 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 2.6 mt-30 -131.79 -74.44 0.52 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.243 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 17' ' ' GLN . . . 173.37 132.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.278 0.561 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.0 -164.55 13.76 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.1 p -130.64 -51.4 1.07 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.247 -1.149 . . . . 0.0 110.217 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -55.74 14.19 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.253 -0.904 . . . . 0.0 110.103 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -49.94 -60.21 3.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 110.139 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -48.81 -62.09 1.7 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 110.006 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.0 m-85 -42.69 -40.88 2.93 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.34 -0.85 . . . . 0.0 109.773 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.85 -33.13 73.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.375 -0.828 . . . . 0.0 109.864 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.2 mtt180 -68.49 -45.87 71.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.258 -0.901 . . . . 0.0 109.884 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -69.13 -36.94 78.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -0.834 . . . . 0.0 109.996 179.753 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -65.91 -52.5 49.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -63.41 -49.4 73.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.262 -0.899 . . . . 0.0 110.184 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -57.54 -39.46 76.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 0.0 110.203 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 10' ' ' LEU . 68.7 m -66.68 -48.56 68.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.278 -0.888 . . . . 0.0 110.136 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.442 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 4.8 t80 -64.43 -27.81 69.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 0.0 110.221 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -78.89 -60.7 2.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.176 -0.952 . . . . 0.0 110.29 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 16' ' ' THR . 3.0 mm-40 -42.82 -62.68 0.95 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.327 -0.858 . . . . 0.0 110.223 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.51 66.36 1.16 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.875 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.22 0.533 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.53 83.38 0.16 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -120.37 -77.8 0.58 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.387 -1.066 . . . . 0.0 110.239 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 3' ' ' THR . 9.0 mt 67.12 3.32 3.12 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.372 -0.83 . . . . 0.0 110.676 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 p -58.42 -68.77 0.22 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.922 -1.111 . . . . 0.0 110.068 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -50.37 -60.82 2.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.278 -0.889 . . . . 0.0 109.972 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 65.5 m-85 -42.04 -41.98 2.74 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.319 -0.863 . . . . 0.0 109.906 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 4' ' ' LEU . 3.6 m-85 -70.52 -32.53 70.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.882 . . . . 0.0 109.965 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 1.4 ttm180 -70.07 -41.55 73.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 110.021 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -38.75 65.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.387 -0.821 . . . . 0.0 110.049 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -67.73 -45.93 73.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 0.0 110.121 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -69.96 -47.01 63.98 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.083 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -62.28 -42.56 99.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 0.0 110.149 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' ALA . 86.2 p -68.48 -40.92 80.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 110.194 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.3 m-85 -63.27 -42.57 99.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.339 -0.851 . . . . 0.0 110.201 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.3 p -62.99 -24.14 67.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.26 -0.9 . . . . 0.0 110.25 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -106.8 -11.8 15.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 0.0 110.202 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 59.54 66.81 0.96 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.306 -0.871 . . . . 0.0 110.228 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.904 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.238 0.542 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.73 50.94 1.54 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -55.82 -65.13 0.65 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.243 -1.151 . . . . 0.0 110.232 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.529 ' CB ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER 71.56 -0.28 3.21 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.377 -0.827 . . . . 0.0 110.543 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -68.4 0.23 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.977 -1.077 . . . . 0.0 110.128 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -49.44 -59.22 3.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 0.0 109.96 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 6' ' ' THR . 45.8 m-85 -42.13 -43.46 3.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.894 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -69.15 -33.55 73.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.819 . . . . 0.0 109.965 179.573 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -67.61 -47.97 68.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.21 -0.931 . . . . 0.0 109.852 179.709 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 14' ' ' SER . 0.2 OUTLIER -67.0 -39.0 87.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.874 . . . . 0.0 109.976 179.774 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -62.98 -51.48 66.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.25 -0.906 . . . . 0.0 110.02 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -61.48 -51.51 68.36 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -0.905 . . . . 0.0 110.099 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -57.0 -54.64 44.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.312 -0.867 . . . . 0.0 110.16 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.463 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 1.4 m -51.86 -47.0 64.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.234 -0.916 . . . . 0.0 110.215 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -58.1 -46.22 85.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 0.0 110.117 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -51.63 -37.8 51.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.197 -0.939 . . . . 0.0 110.178 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 11.1 mm-40 -75.13 -74.56 0.2 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.893 . . . . 0.0 110.141 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 17' ' ' GLN . . . 63.56 165.75 0.13 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.255 -0.903 . . . . 0.0 110.172 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.785 -1.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.192 0.52 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.08 -106.43 0.75 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -157.59 -80.46 0.07 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.209 -1.171 . . . . 0.0 110.247 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 3' ' ' THR . 17.9 mt 66.17 3.85 2.88 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.394 -0.816 . . . . 0.0 110.692 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -58.67 -65.45 0.66 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.94 -1.1 . . . . 0.0 110.01 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -51.12 -60.53 3.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 0.0 109.979 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.9 m-85 -41.94 -43.98 3.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.407 -0.808 . . . . 0.0 109.866 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.436 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.6 OUTLIER -67.84 -33.69 75.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -0.855 . . . . 0.0 109.826 179.514 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -70.46 -43.8 69.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.338 -0.851 . . . . 0.0 109.773 179.78 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -38.75 84.48 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.317 -0.864 . . . . 0.0 109.922 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -46.22 72.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.886 . . . . 0.0 110.081 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 1.2 t-20 -63.16 -51.22 67.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.329 -0.857 . . . . 0.0 110.145 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.34 -49.98 75.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.2 -0.938 . . . . 0.0 110.114 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 18' ' ' ALA . 60.2 p -60.4 -34.99 74.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.139 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -50.53 63.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.207 -0.933 . . . . 0.0 110.14 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -34.62 74.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 0.0 110.167 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 1.1 tt0 -95.74 -9.47 31.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.347 -0.846 . . . . 0.0 110.177 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 65.06 91.93 0.08 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.265 -0.897 . . . . 0.0 110.172 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.801 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.227 0.537 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.03 56.09 0.01 OUTLIER Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -144.86 -80.5 0.17 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.241 -1.152 . . . . 0.0 110.215 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' A' ' 3' ' ' THR . 1.4 tp 71.47 -0.0 3.3 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.268 -0.895 . . . . 0.0 110.541 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 6' ' ' THR . 98.8 p -56.55 -67.8 0.27 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.994 -1.066 . . . . 0.0 110.147 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -48.35 -60.79 2.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.178 -0.951 . . . . 0.0 109.977 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' THR . 44.1 m-85 -41.84 -43.17 2.91 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.409 -0.807 . . . . 0.0 109.953 179.871 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.441 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -69.1 -33.05 72.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.347 -0.845 . . . . 0.0 109.931 179.654 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -68.01 -49.45 61.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 110.017 179.788 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tp -67.51 -36.92 82.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.862 . . . . 0.0 109.988 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.34 -51.26 64.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 0.0 110.054 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.52 -51.73 64.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.263 -0.898 . . . . 0.0 110.066 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.22 -39.05 78.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.302 -0.874 . . . . 0.0 110.128 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -64.88 -47.31 78.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 110.117 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -39.36 92.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 110.156 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 p -78.44 -26.48 46.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.195 -0.941 . . . . 0.0 110.157 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.7 -46.17 83.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 110.182 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.55 -165.97 0.59 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.292 -0.88 . . . . 0.0 110.167 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.23 0.538 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.5 95.02 0.51 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 m -130.12 -64.71 0.85 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.295 -1.12 . . . . 0.0 110.157 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 9.7 mp -45.7 -50.01 14.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 110.144 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.6 -61.03 2.54 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.135 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -51.18 -62.51 1.57 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.227 -0.921 . . . . 0.0 110.185 179.938 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 1.3 m-30 -41.72 -41.96 2.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 109.891 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -69.3 -33.05 72.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.33 -0.856 . . . . 0.0 109.836 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 6' ' ' THR . 10.6 tpt180 -67.47 -49.37 63.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 0.0 109.794 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -35.22 78.42 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 0.0 109.915 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 4.0 t80 -68.05 -46.32 71.42 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -0.925 . . . . 0.0 109.935 179.788 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.01 -46.45 81.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.286 -0.884 . . . . 0.0 110.024 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -42.43 98.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.348 -0.845 . . . . 0.0 110.104 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.9 p -70.27 -31.35 68.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.308 -0.87 . . . . 0.0 110.146 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -70.75 -42.56 70.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.302 -0.874 . . . . 0.0 110.201 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' PHE . 2.4 m -42.98 -26.76 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.228 -0.92 . . . . 0.0 110.188 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' PHE . 71.6 mt-30 -109.04 -69.24 0.87 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.233 -0.917 . . . . 0.0 110.236 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -172.47 -145.85 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.289 -0.882 . . . . 0.0 110.184 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.405 -2.676 0 CA-C-O 121.398 0.618 . . . . 2.0499999999999998 111.747 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -53.04 -63.58 1.1 Allowed 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.854 -1.154 . . . . 1.1299999999999999 110.224 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -50.64 -62.09 1.81 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.147 -0.971 . . . . 0.20999999999999999 110.081 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 1.4 m-85 -42.1 -41.8 2.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.4 -0.813 . . . . 1.49 109.918 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -33.02 72.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.315 -0.865 . . . . 2.2999999999999998 109.869 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.823 ' CZ ' HH22 ' A' ' 9' ' ' ARG . 17.3 ttt180 -68.48 -46.54 69.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 3.2799999999999998 109.894 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.423 ' CD2' ' CB ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -69.29 -37.35 77.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -0.927 . . . . 1.6100000000000001 109.995 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.562 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -66.21 -48.04 71.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 1.8100000000000001 110.084 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 1.207 ' OD1' ' CB ' ' A' ' 12' ' ' ASN . 13.4 t-20 -65.99 -46.54 77.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.153 -0.967 . . . . 1.52 110.157 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 1.349 ' CD ' ' CB ' ' A' ' 13' ' ' ARG . 38.9 ttt180 -60.63 -44.5 96.3 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.935 . . . . 3.4399999999999999 110.171 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 1.1 ' OG ' ' HB2' ' A' ' 14' ' ' SER . 0.9 OUTLIER -66.91 -40.51 87.72 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.116 -0.99 . . . . 1.26 110.253 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -66.52 -36.92 83.9 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.082 -1.011 . . . . 2.02 110.353 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -66.0 -40.59 91.29 Favored 'General case' 1 C--O 1.15 -4.137 0 O-C-N 120.998 -1.064 . . . . 1.2 110.723 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 1.533 ' CD ' ' CB ' ' A' ' 17' ' ' GLN 0.345 5.7 tt0 -89.71 -48.86 7.0 Favored 'General case' 3 C--O 0.952 -14.595 0 CA-C-O 127.612 3.577 . . . . 3.25 117.255 -179.99 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.341 ' CB ' ' N ' ' A' ' 18' ' ' ALA 1.121 . . . . . . . 4 C--O 0.187 -54.827 3 CA-C-O 162.656 20.265 . . . . 3.6299999999999999 126.591 179.996 . . . . . . . . 4 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 120.997 0.427 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -59.63 -70.33 0.17 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.99 -1.069 . . . . 0.0 110.083 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -50.37 -62.5 1.55 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 110.072 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -42.31 -41.37 2.78 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.323 -0.861 . . . . 0.0 109.762 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.448 ' HB3' ' O ' ' A' ' 5' ' ' SER . 19.9 t80 -68.15 -34.01 75.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.308 -0.87 . . . . 0.0 109.693 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.3 mtt180 -67.85 -45.64 74.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.267 -0.896 . . . . 0.0 109.78 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.1 tp -68.47 -35.6 77.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 109.903 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -66.33 -49.63 66.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.274 -0.891 . . . . 0.0 110.01 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -64.5 -47.45 78.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.308 -0.87 . . . . 0.0 110.149 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -61.52 -42.12 98.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.268 -0.895 . . . . 0.0 110.189 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.1 p -63.29 -48.11 79.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.257 -0.902 . . . . 0.0 110.158 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -31.8 73.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.0 110.155 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.1 m -63.25 -21.01 65.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.247 -0.908 . . . . 0.0 110.202 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -105.47 -72.24 0.72 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.239 -0.913 . . . . 0.0 110.245 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.226 -0.921 . . . . 0.0 110.247 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.222 0.534 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 p -46.46 -59.31 3.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 0.0 110.051 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.2 -62.5 1.61 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.23 -0.919 . . . . 0.0 110.078 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -41.85 -42.9 2.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.342 -0.849 . . . . 0.0 109.881 179.796 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -33.33 74.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.35 -0.844 . . . . 0.0 109.781 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' THR . 3.2 ttp180 -66.78 -43.27 84.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.227 -0.921 . . . . 0.0 109.765 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.78 -41.13 75.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.327 -0.858 . . . . 0.0 110.012 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.77 -53.02 60.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 110.144 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -62.46 -53.2 58.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.405 -0.809 . . . . 0.0 110.116 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 1.3 mmt85 -49.79 -48.86 50.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.208 -0.933 . . . . 0.0 110.164 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 t -61.52 -45.03 95.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.331 -0.856 . . . . 0.0 110.159 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -24.32 65.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 110.212 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.449 ' OG1' ' HA ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -86.91 -23.52 25.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.207 -0.933 . . . . 0.0 110.236 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -76.73 -73.03 0.31 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.149 -0.97 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.263 -0.898 . . . . 0.0 110.224 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.261 0.553 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -50.23 -55.96 13.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.135 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -53.2 -63.06 1.27 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.906 . . . . 0.0 110.172 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -41.81 -42.26 2.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.868 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -67.83 -34.18 76.22 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.366 -0.833 . . . . 0.0 109.624 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -65.91 -44.43 85.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.277 -0.889 . . . . 0.0 109.712 179.591 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -40.23 81.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.37 -0.831 . . . . 0.0 109.939 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -61.65 -47.93 83.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.889 . . . . 0.0 110.023 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.02 -47.5 77.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.228 -0.92 . . . . 0.0 110.131 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -57.12 -47.37 81.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 110.157 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -41.08 97.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 0.0 110.207 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.47 -25.4 61.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.295 -0.878 . . . . 0.0 110.29 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.1 m -90.68 -25.02 20.27 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 0.0 110.222 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -71.87 -59.9 2.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 110.195 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.221 -0.925 . . . . 0.0 110.228 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.205 0.526 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -49.9 -61.92 1.86 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.191 -0.943 . . . . 0.0 110.153 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -50.9 -63.21 1.2 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 110.049 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 5.6 m-85 -42.15 -41.48 2.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.37 -0.832 . . . . 0.0 109.868 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.442 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -69.16 -32.18 71.34 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.859 179.647 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.5 tpt85 -69.67 -49.94 48.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 109.944 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -32.71 72.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.277 -0.89 . . . . 0.0 110.024 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 1.5 m-85 -70.15 -49.86 46.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.233 -0.917 . . . . 0.0 110.117 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -65.28 -44.29 88.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 0.0 110.082 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -64.68 -40.36 95.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.194 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.0 t -71.29 -39.02 71.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.304 -0.873 . . . . 0.0 110.108 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.5 m-85 -77.78 -24.45 48.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.225 -0.922 . . . . 0.0 110.239 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -70.85 -44.18 66.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 110.228 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -82.82 0.15 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.225 -0.922 . . . . 0.0 110.191 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 110.219 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 121.038 0.447 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.29 -68.83 0.19 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.114 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -50.78 -58.58 5.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 0.0 109.975 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.502 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -42.92 -40.13 2.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.298 -0.876 . . . . 0.0 109.79 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -72.22 -33.63 67.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.371 -0.831 . . . . 0.0 109.879 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' THR . 27.5 ttt85 -68.09 -47.67 67.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -0.892 . . . . 0.0 109.918 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.01 -35.48 69.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.047 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' PHE . 4.9 m-85 -65.92 -44.58 84.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.244 -0.91 . . . . 0.0 110.111 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -71.78 -47.79 51.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.179 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -38.72 90.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 0.0 110.175 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.0 m -81.0 -37.35 29.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 0.0 110.199 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.52 ' CB ' ' O ' ' A' ' 11' ' ' PHE . 74.1 t80 -77.52 -15.41 59.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.23 -0.919 . . . . 0.0 110.219 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -82.46 -33.55 28.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.289 -0.882 . . . . 0.0 110.22 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 tm0? -107.55 -13.08 15.15 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.216 -0.928 . . . . 0.0 110.222 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.318 -0.864 . . . . 0.0 110.231 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 4' ' ' LEU . 25.1 mt . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.201 0.524 . . . . 0.0 110.151 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -49.17 -61.51 2.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.269 -0.894 . . . . 0.0 110.103 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -52.65 -62.89 1.35 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 110.126 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -42.07 -41.61 2.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.406 -0.809 . . . . 0.0 109.922 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 80.9 t80 -69.75 -32.51 71.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.0 109.901 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -67.92 -46.01 72.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.322 -0.861 . . . . 0.0 109.832 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.34 -35.03 71.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.284 -0.885 . . . . 0.0 110.037 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.478 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -68.09 -45.84 72.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 110.104 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -69.46 -45.99 67.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.297 -0.877 . . . . 0.0 110.107 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -43.97 96.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.319 -0.863 . . . . 0.0 110.162 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.1 m -69.33 -38.58 78.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.91 . . . . 0.0 110.211 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 5.0 t80 -69.6 -35.17 75.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.263 -0.898 . . . . 0.0 110.188 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' GLN . 54.4 m -57.56 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -0.905 . . . . 0.0 110.161 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -44.16 -64.8 0.6 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 110.208 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.308 -0.87 . . . . 0.0 110.192 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 4' ' ' LEU . 13.1 tp . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.251 0.548 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -49.97 -59.38 3.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -51.82 -63.17 1.22 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.22 -0.925 . . . . 0.0 110.103 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -41.68 -41.05 2.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.402 -0.811 . . . . 0.0 110.012 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -32.63 70.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.302 -0.874 . . . . 0.0 109.904 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.58 -49.58 58.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 109.953 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -68.37 -37.05 80.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 110.105 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 17.9 t80 -64.69 -47.27 79.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.196 -0.94 . . . . 0.0 110.177 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -67.64 -53.09 30.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.245 -0.909 . . . . 0.0 110.27 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' CG ' ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.81 -25.32 68.19 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.258 -0.901 . . . . 0.0 110.248 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 11.0 t -77.13 -46.38 23.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 0.0 110.164 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -36.15 76.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.276 -0.89 . . . . 0.0 110.221 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 m -44.69 -46.99 10.62 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.269 -0.895 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.1 -73.46 0.21 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.247 -0.908 . . . . 0.0 110.202 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.873 . . . . 0.0 110.183 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.212 0.53 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 6' ' ' THR . 83.1 p -46.84 -59.25 3.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 0.0 110.096 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -53.96 -62.23 1.79 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 110.208 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.1 m-30 -41.99 -41.67 2.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.394 -0.816 . . . . 0.0 109.934 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -70.06 -33.09 71.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.369 -0.832 . . . . 0.0 109.834 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -66.5 -45.75 78.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.903 . . . . 0.0 109.807 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 10' ' ' LEU . 9.8 tt -71.11 -37.34 72.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.367 -0.833 . . . . 0.0 109.978 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -51.58 56.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 0.0 110.037 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.432 ' O ' ' OG1' ' A' ' 16' ' ' THR . 7.5 t-20 -65.2 -41.67 94.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.0 110.084 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -48.09 83.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.268 -0.895 . . . . 0.0 110.139 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -66.57 -37.39 84.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.0 110.186 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -47.8 83.86 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.315 -0.866 . . . . 0.0 110.228 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -53.58 -31.77 48.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.173 -0.955 . . . . 0.0 110.224 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -76.49 -65.29 0.95 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.934 . . . . 0.0 110.252 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 110.195 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.22 0.533 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -48.09 -60.23 2.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.239 -0.913 . . . . 0.0 110.134 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -52.02 -64.19 0.89 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.312 -0.868 . . . . 0.0 110.128 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -41.71 -41.62 2.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 109.948 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 4.6 m-85 -69.35 -32.11 70.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.267 -0.895 . . . . 0.0 109.953 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -71.36 -46.04 61.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.939 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.73 -37.27 79.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 110.045 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 2.1 t80 -69.16 -45.27 70.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 110.104 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -65.64 -45.35 83.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 0.0 110.195 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -42.15 96.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.341 -0.85 . . . . 0.0 110.201 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -64.12 -45.83 86.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.275 -0.891 . . . . 0.0 110.174 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -28.57 65.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 110.234 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.8 m -84.11 -28.53 27.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 110.256 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -95.89 -9.99 29.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.933 . . . . 0.0 110.164 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.233 -0.917 . . . . 0.0 110.19 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.752 HD23 ' CD1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 121.029 0.443 . . . . 0.0 110.503 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -56.03 -67.11 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.023 -1.048 . . . . 0.0 110.11 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.91 -59.29 4.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 0.0 110.067 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -42.38 -42.11 3.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.277 -0.89 . . . . 0.0 109.811 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.752 ' CD1' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -70.28 -33.76 71.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.365 -0.834 . . . . 0.0 109.833 179.526 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -68.32 -46.25 70.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 109.903 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.9 -38.7 79.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.34 -0.85 . . . . 0.0 110.017 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 7.9 t80 -65.02 -44.25 89.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.28 -0.887 . . . . 0.0 110.093 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.62 -48.01 67.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.315 -0.866 . . . . 0.0 110.118 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -38.03 82.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.212 -0.93 . . . . 0.0 110.156 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -69.99 -48.02 59.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 0.0 110.197 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -42.77 89.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.301 -0.874 . . . . 0.0 110.177 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.6 m -66.17 -19.14 65.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.242 -0.911 . . . . 0.0 110.178 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -86.38 -51.88 5.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.892 . . . . 0.0 110.21 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.225 -0.922 . . . . 0.0 110.218 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.226 0.536 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 m -48.93 -60.01 3.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.32 -0.862 . . . . 0.0 110.208 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.75 -62.57 1.48 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.17 -0.957 . . . . 0.0 110.105 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -42.15 -41.28 2.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -0.807 . . . . 0.0 109.903 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.12 -32.97 72.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.364 -0.835 . . . . 0.0 109.832 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 6' ' ' THR . 14.2 ttt180 -68.9 -43.75 74.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.246 -0.909 . . . . 0.0 109.928 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tp -70.96 -37.11 72.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.239 -0.913 . . . . 0.0 110.036 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -67.13 -44.13 80.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -69.09 -49.7 54.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 0.0 110.164 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.86 -46.7 87.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' ALA . 34.5 t -64.93 -41.91 95.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.226 -0.921 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -61.18 -41.06 96.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.23 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.7 m -72.17 -24.83 61.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.283 -0.886 . . . . 0.0 110.228 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -101.13 -10.39 20.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.233 -0.917 . . . . 0.0 110.198 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' SER . . . . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.156 -0.965 . . . . 0.0 110.163 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 7' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 121.064 0.459 . . . . 0.0 110.601 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -56.12 -66.68 0.39 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.925 -1.11 . . . . 0.0 110.147 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.0 -61.16 2.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 0.0 110.109 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.529 ' HB3' HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -42.3 -41.14 2.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.331 -0.856 . . . . 0.0 109.907 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.508 ' HD2' HD12 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -70.47 -32.75 70.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.256 -0.902 . . . . 0.0 109.926 179.571 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -67.71 -46.16 73.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.874 . . . . 0.0 109.911 179.722 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 14' ' ' SER . 0.6 OUTLIER -70.34 -39.29 74.8 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.32 -0.863 . . . . 0.0 109.99 179.781 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -64.21 -43.12 96.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.891 . . . . 0.0 110.1 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -69.82 -48.3 59.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.174 -0.954 . . . . 0.0 110.134 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -58.61 -42.14 87.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.18 -0.95 . . . . 0.0 110.2 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -69.27 -44.28 72.21 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 0.0 110.162 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.24 -43.93 88.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.249 -0.907 . . . . 0.0 110.149 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.9 m -81.79 -18.7 43.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.344 -0.847 . . . . 0.0 110.134 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.567 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 33.2 tt0 -87.88 -20.51 25.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.882 . . . . 0.0 110.169 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.256 -0.903 . . . . 0.0 110.229 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 120.984 0.421 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -55.8 -68.02 0.24 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.968 -1.082 . . . . 0.0 109.96 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -45.61 -58.94 3.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 0.0 109.721 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 24.7 m-85 -43.29 -40.97 3.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.866 . . . . 0.0 109.628 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -33.82 72.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.418 -0.801 . . . . 0.0 109.891 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 6' ' ' THR . 25.3 ttp85 -67.87 -49.89 59.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.302 -0.874 . . . . 0.0 109.818 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 tp -66.18 -37.54 85.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.368 -0.832 . . . . 0.0 109.962 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -64.24 -45.27 88.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.268 -0.895 . . . . 0.0 110.05 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -66.1 -52.0 52.79 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.314 -0.866 . . . . 0.0 110.135 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -52.92 63.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -0.906 . . . . 0.0 110.183 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 17' ' ' GLN . 3.9 t -57.06 -42.23 80.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.888 . . . . 0.0 110.162 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -60.18 -47.42 86.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.133 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -72.07 -21.53 61.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.471 ' HB3' ' O ' ' A' ' 14' ' ' SER . 22.5 tp60 -62.95 -68.27 0.35 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.298 -0.876 . . . . 0.0 110.233 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.901 . . . . 0.0 110.181 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 121.015 0.436 . . . . 0.0 110.62 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -59.33 -70.06 0.17 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.013 -1.054 . . . . 0.0 110.156 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -51.08 -62.29 1.7 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.244 -0.91 . . . . 0.0 110.076 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' THR . 4.2 m-85 -41.84 -41.74 2.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.281 -0.887 . . . . 0.0 109.928 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -69.73 -32.76 71.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.914 . . . . 0.0 109.916 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -69.12 -51.63 36.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.216 -0.928 . . . . 0.0 109.869 179.75 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -66.96 -33.21 75.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.0 110.03 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.49 -50.41 31.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.294 -0.879 . . . . 0.0 110.116 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.705 ' O ' HG23 ' A' ' 16' ' ' THR . 56.8 t-20 -62.56 -40.76 97.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 110.067 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' O ' ' OG1' ' A' ' 16' ' ' THR . 21.2 mmm180 -66.31 -51.32 58.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.245 -0.909 . . . . 0.0 110.146 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -62.23 -30.48 71.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.098 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' THR . 40.5 t80 -72.01 -52.27 17.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.277 -0.889 . . . . 0.0 110.193 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 12' ' ' ASN . 40.8 p -43.81 -69.67 0.13 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.212 -0.93 . . . . 0.0 110.241 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.71 -85.47 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.194 -0.941 . . . . 0.0 110.204 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.89 . . . . 0.0 110.168 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.272 0.558 . . . . 0.0 110.176 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -54.81 -65.41 0.58 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.232 -0.918 . . . . 0.0 110.23 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -50.07 -62.32 1.64 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 110.151 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 5.2 m-85 -41.8 -41.11 2.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.39 -0.819 . . . . 0.0 109.946 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -70.68 -32.61 69.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -0.877 . . . . 0.0 109.866 179.65 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 6' ' ' THR . 2.6 mmt180 -67.85 -46.4 71.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.259 -0.901 . . . . 0.0 109.86 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -39.3 74.84 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.266 -0.896 . . . . 0.0 110.035 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 1.4 t80 -65.33 -46.09 81.69 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.217 -0.927 . . . . 0.0 110.056 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 5.8 t-20 -67.02 -44.27 80.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.208 -0.933 . . . . 0.0 110.081 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -60.39 -43.41 96.67 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.22 -0.925 . . . . 0.0 110.125 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -41.14 81.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.291 -0.881 . . . . 0.0 110.2 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' THR . 4.4 t80 -64.24 -37.44 87.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.287 -0.883 . . . . 0.0 110.202 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' PHE . 5.7 m -43.36 -27.41 0.25 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.895 . . . . 0.0 110.206 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.651 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 2.6 mt-30 -131.79 -74.44 0.52 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.243 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.257 0.551 . . . . 0.0 110.103 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.47 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -49.94 -60.21 3.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 110.139 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -48.81 -62.09 1.7 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 110.006 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.0 m-85 -42.69 -40.88 2.93 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.34 -0.85 . . . . 0.0 109.773 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.85 -33.13 73.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.375 -0.828 . . . . 0.0 109.864 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.2 mtt180 -68.49 -45.87 71.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.258 -0.901 . . . . 0.0 109.884 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -36.94 78.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -0.834 . . . . 0.0 109.996 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.418 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -65.91 -52.5 49.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.447 ' O ' ' OG1' ' A' ' 16' ' ' THR . 16.1 t-20 -63.41 -49.4 73.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.262 -0.899 . . . . 0.0 110.184 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HA ' ' OG1' ' A' ' 16' ' ' THR . 10.7 ttp180 -57.54 -39.46 76.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 0.0 110.203 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.7 m -66.68 -48.56 68.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.278 -0.888 . . . . 0.0 110.136 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.442 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 4.8 t80 -64.43 -27.81 69.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 0.0 110.221 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -78.89 -60.7 2.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.176 -0.952 . . . . 0.0 110.29 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 16' ' ' THR . 3.0 mm-40 -42.82 -62.68 0.95 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.327 -0.858 . . . . 0.0 110.223 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 110.302 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.432 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 9.0 mt . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 120.887 0.375 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 p -58.42 -68.77 0.22 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.922 -1.111 . . . . 0.0 110.068 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -50.37 -60.82 2.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.278 -0.889 . . . . 0.0 109.972 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 65.5 m-85 -42.04 -41.98 2.74 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.319 -0.863 . . . . 0.0 109.906 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.432 ' CE1' ' HB3' ' A' ' 4' ' ' LEU . 3.6 m-85 -70.52 -32.53 70.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.882 . . . . 0.0 109.965 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 1.4 ttm180 -70.07 -41.55 73.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 110.021 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -38.75 65.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.387 -0.821 . . . . 0.0 110.049 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.451 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -67.73 -45.93 73.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 0.0 110.121 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -69.96 -47.01 63.98 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.083 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -62.28 -42.56 99.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 0.0 110.149 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' ALA . 86.2 p -68.48 -40.92 80.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 110.194 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.3 m-85 -63.27 -42.57 99.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.339 -0.851 . . . . 0.0 110.201 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.3 p -62.99 -24.14 67.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.26 -0.9 . . . . 0.0 110.25 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.533 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 45.6 tt0 -106.8 -11.8 15.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 0.0 110.202 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.306 -0.871 . . . . 0.0 110.228 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.587 HD13 ' HB2' ' A' ' 7' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 120.982 0.42 . . . . 0.0 110.543 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -68.4 0.23 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.977 -1.077 . . . . 0.0 110.128 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -49.44 -59.22 3.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 0.0 109.96 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.587 ' HB2' HD13 ' A' ' 4' ' ' LEU . 45.8 m-85 -42.13 -43.46 3.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.894 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -69.15 -33.55 73.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.819 . . . . 0.0 109.965 179.573 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -67.61 -47.97 68.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.21 -0.931 . . . . 0.0 109.852 179.709 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 14' ' ' SER . 0.2 OUTLIER -67.0 -39.0 87.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.874 . . . . 0.0 109.976 179.774 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -62.98 -51.48 66.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.25 -0.906 . . . . 0.0 110.02 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -61.48 -51.51 68.36 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -0.905 . . . . 0.0 110.099 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -57.0 -54.64 44.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.312 -0.867 . . . . 0.0 110.16 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.453 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 1.4 m -51.86 -47.0 64.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.234 -0.916 . . . . 0.0 110.215 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -58.1 -46.22 85.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 0.0 110.117 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -51.63 -37.8 51.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.197 -0.939 . . . . 0.0 110.178 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.615 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 11.1 mm-40 -75.13 -74.56 0.2 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.893 . . . . 0.0 110.141 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.255 -0.903 . . . . 0.0 110.172 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 17.9 mt . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 120.85 0.357 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -58.67 -65.45 0.66 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.94 -1.1 . . . . 0.0 110.01 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -51.12 -60.53 3.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 0.0 109.979 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.9 m-85 -41.94 -43.98 3.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.407 -0.808 . . . . 0.0 109.866 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.6 OUTLIER -67.84 -33.69 75.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -0.855 . . . . 0.0 109.826 179.514 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -70.46 -43.8 69.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.338 -0.851 . . . . 0.0 109.773 179.78 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -38.75 84.48 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.317 -0.864 . . . . 0.0 109.922 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -46.22 72.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.886 . . . . 0.0 110.081 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 1.2 t-20 -63.16 -51.22 67.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.329 -0.857 . . . . 0.0 110.145 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.34 -49.98 75.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.2 -0.938 . . . . 0.0 110.114 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 18' ' ' ALA . 60.2 p -60.4 -34.99 74.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.139 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -50.53 63.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.207 -0.933 . . . . 0.0 110.14 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -34.62 74.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 0.0 110.167 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.642 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.1 tt0 -95.74 -9.47 31.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.347 -0.846 . . . . 0.0 110.177 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.265 -0.897 . . . . 0.0 110.172 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 1.4 tp . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 121.033 0.444 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 6' ' ' THR . 98.8 p -56.55 -67.8 0.27 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.994 -1.066 . . . . 0.0 110.147 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -48.35 -60.79 2.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.178 -0.951 . . . . 0.0 109.977 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' THR . 44.1 m-85 -41.84 -43.17 2.91 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.409 -0.807 . . . . 0.0 109.953 179.871 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -69.1 -33.05 72.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.347 -0.845 . . . . 0.0 109.931 179.654 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.01 -49.45 61.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 110.017 179.788 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tp -67.51 -36.92 82.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.862 . . . . 0.0 109.988 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 12.9 t80 -64.34 -51.26 64.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 0.0 110.054 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.52 -51.73 64.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.263 -0.898 . . . . 0.0 110.066 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.472 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.22 -39.05 78.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.302 -0.874 . . . . 0.0 110.128 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -64.88 -47.31 78.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 110.117 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -39.36 92.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 110.156 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 p -78.44 -26.48 46.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.195 -0.941 . . . . 0.0 110.157 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.7 -46.17 83.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 110.182 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.292 -0.88 . . . . 0.0 110.167 -179.981 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 9.7 mp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.21 0.528 . . . . 0.0 110.144 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.6 -61.03 2.54 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.135 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -51.18 -62.51 1.57 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.227 -0.921 . . . . 0.0 110.185 179.938 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 1.3 m-30 -41.72 -41.96 2.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 109.891 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -69.3 -33.05 72.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.33 -0.856 . . . . 0.0 109.836 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 6' ' ' THR . 10.6 tpt180 -67.47 -49.37 63.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 0.0 109.794 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -35.22 78.42 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 0.0 109.915 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.472 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 4.0 t80 -68.05 -46.32 71.42 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -0.925 . . . . 0.0 109.935 179.788 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.01 -46.45 81.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.286 -0.884 . . . . 0.0 110.024 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -42.43 98.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.348 -0.845 . . . . 0.0 110.104 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.9 p -70.27 -31.35 68.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.308 -0.87 . . . . 0.0 110.146 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -70.75 -42.56 70.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.302 -0.874 . . . . 0.0 110.201 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' PHE . 2.4 m -42.98 -26.76 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.228 -0.92 . . . . 0.0 110.188 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' PHE . 71.6 mt-30 -109.04 -69.24 0.87 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.233 -0.917 . . . . 0.0 110.236 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.289 -0.882 . . . . 0.0 110.184 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . 1.293 85.5 p . . . . . 3 N--CA 0.162 -64.826 2 N-CA-C 136.58 9.474 . . . . 6.5700000000000003 136.58 . . . . . . . . . 3 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 138.34 103.18 0.6 Allowed Glycine 4 N--CA 0.535 -61.382 5 CA-C-N 155.674 17.488 . . . . 4.0700000000000003 140.964 179.725 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . 0.943 0.0 OUTLIER -105.13 -33.86 8.13 Favored 'General case' 3 C--N 0.632 -30.587 5 CA-C-O 155.533 16.873 . . . . 3.1699999999999999 134.792 -179.94 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -33.2 -34.24 0.02 OUTLIER 'General case' 1 C--N 0.522 -35.37 1 O-C-N 80.842 -26.162 . . . . 2.0499999999999998 111.747 -179.77 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -53.04 -63.58 1.1 Allowed 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.854 -1.154 . . . . 1.1299999999999999 110.224 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -50.64 -62.09 1.81 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.147 -0.971 . . . . 0.20999999999999999 110.081 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 1.4 m-85 -42.1 -41.8 2.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.4 -0.813 . . . . 1.49 109.918 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -33.02 72.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.315 -0.865 . . . . 2.2999999999999998 109.869 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.823 ' CZ ' HH22 ' A' ' 9' ' ' ARG . 17.3 ttt180 -68.48 -46.54 69.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 3.2799999999999998 109.894 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.423 ' CD2' ' CB ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -69.29 -37.35 77.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -0.927 . . . . 1.6100000000000001 109.995 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.562 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -66.21 -48.04 71.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 1.8100000000000001 110.084 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 1.207 ' OD1' ' CB ' ' A' ' 12' ' ' ASN . 13.4 t-20 -65.99 -46.54 77.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.153 -0.967 . . . . 1.52 110.157 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 1.349 ' CD ' ' CB ' ' A' ' 13' ' ' ARG . 38.9 ttt180 -60.63 -44.5 96.3 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.935 . . . . 3.4399999999999999 110.171 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 1.1 ' OG ' ' HB2' ' A' ' 14' ' ' SER . 0.9 OUTLIER -66.91 -40.51 87.72 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.116 -0.99 . . . . 1.26 110.253 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -66.52 -36.92 83.9 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.082 -1.011 . . . . 2.02 110.353 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -66.0 -40.59 91.29 Favored 'General case' 1 C--O 1.15 -4.137 0 O-C-N 120.998 -1.064 . . . . 1.2 110.723 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 1.533 ' CD ' ' CB ' ' A' ' 17' ' ' GLN 0.345 5.7 tt0 -89.71 -48.86 7.0 Favored 'General case' 3 C--O 0.952 -14.595 0 CA-C-O 127.612 3.577 . . . . 3.25 117.255 -179.99 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.435 ' N ' ' N ' ' A' ' 19' ' ' NH2 1.121 . . -125.35 -30.77 3.1 Favored 'General case' 4 C--O 0.187 -54.827 3 CA-C-O 162.656 20.265 . . . . 3.6299999999999999 126.591 179.996 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 1.435 ' N ' ' N ' ' A' ' 18' ' ' ALA . . . . . . . . 1 C--N 0.173 -50.571 2 O-C-N 38.029 -52.919 . . . . 3.8399999999999999 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.287 0.565 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.48 -157.63 7.81 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -130.02 -51.54 1.12 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -1.13 . . . . 0.0 110.23 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER 71.33 0.22 3.36 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.282 -0.886 . . . . 0.0 110.533 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -59.63 -70.33 0.17 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.99 -1.069 . . . . 0.0 110.083 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -50.37 -62.5 1.55 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 110.072 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -42.31 -41.37 2.78 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.323 -0.861 . . . . 0.0 109.762 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.448 ' HB3' ' O ' ' A' ' 5' ' ' SER . 19.9 t80 -68.15 -34.01 75.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.308 -0.87 . . . . 0.0 109.693 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.3 mtt180 -67.85 -45.64 74.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.267 -0.896 . . . . 0.0 109.78 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.1 tp -68.47 -35.6 77.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 109.903 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -66.33 -49.63 66.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.274 -0.891 . . . . 0.0 110.01 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -64.5 -47.45 78.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.308 -0.87 . . . . 0.0 110.149 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -61.52 -42.12 98.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.268 -0.895 . . . . 0.0 110.189 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.1 p -63.29 -48.11 79.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.257 -0.902 . . . . 0.0 110.158 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -31.8 73.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.0 110.155 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.1 m -63.25 -21.01 65.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.247 -0.908 . . . . 0.0 110.202 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -105.47 -72.24 0.72 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.239 -0.913 . . . . 0.0 110.245 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.33 51.77 0.47 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.226 -0.921 . . . . 0.0 110.247 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.877 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.242 0.544 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.04 63.88 0.02 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.11 -70.37 0.79 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -1.158 . . . . 0.0 110.285 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 mp -45.94 -51.02 14.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.263 -0.898 . . . . 0.0 110.172 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 p -46.46 -59.31 3.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 0.0 110.051 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.2 -62.5 1.61 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.23 -0.919 . . . . 0.0 110.078 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -41.85 -42.9 2.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.342 -0.849 . . . . 0.0 109.881 179.796 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -33.33 74.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.35 -0.844 . . . . 0.0 109.781 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' THR . 3.2 ttp180 -66.78 -43.27 84.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.227 -0.921 . . . . 0.0 109.765 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.78 -41.13 75.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.327 -0.858 . . . . 0.0 110.012 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.77 -53.02 60.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 110.144 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -62.46 -53.2 58.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.405 -0.809 . . . . 0.0 110.116 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 1.3 mmt85 -49.79 -48.86 50.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.208 -0.933 . . . . 0.0 110.164 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 t -61.52 -45.03 95.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.331 -0.856 . . . . 0.0 110.159 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -24.32 65.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 110.212 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.449 ' OG1' ' HA ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -86.91 -23.52 25.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.207 -0.933 . . . . 0.0 110.236 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -76.73 -73.03 0.31 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.149 -0.97 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.51 -24.89 7.64 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.263 -0.898 . . . . 0.0 110.224 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.402 ' O ' ' OG ' ' A' ' 1' ' ' SER . 3.8 p . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.235 0.54 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 3' ' ' THR . . . 173.61 96.86 0.1 Allowed Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 2' ' ' GLY . 20.7 p -42.74 -40.87 2.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.3 -1.117 . . . . 0.0 110.204 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tt -65.9 -54.81 21.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.291 -0.881 . . . . 0.0 110.19 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -50.23 -55.96 13.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.135 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -53.2 -63.06 1.27 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.906 . . . . 0.0 110.172 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -41.81 -42.26 2.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.868 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -67.83 -34.18 76.22 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.366 -0.833 . . . . 0.0 109.624 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -65.91 -44.43 85.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.277 -0.889 . . . . 0.0 109.712 179.591 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -40.23 81.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.37 -0.831 . . . . 0.0 109.939 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -61.65 -47.93 83.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.889 . . . . 0.0 110.023 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.02 -47.5 77.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.228 -0.92 . . . . 0.0 110.131 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -57.12 -47.37 81.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 110.157 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -41.08 97.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 0.0 110.207 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.47 -25.4 61.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.295 -0.878 . . . . 0.0 110.29 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.1 m -90.68 -25.02 20.27 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 0.0 110.222 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -71.87 -59.9 2.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 110.195 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.91 139.7 46.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.221 -0.925 . . . . 0.0 110.228 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.492 ' OG ' ' N ' ' A' ' 2' ' ' GLY . 25.0 p . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.293 0.568 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.492 ' N ' ' OG ' ' A' ' 1' ' ' SER . . . 111.15 -165.26 12.13 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 4' ' ' LEU . 1.3 p -138.16 -81.22 0.34 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -1.19 . . . . 0.0 110.19 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' THR . 0.3 OUTLIER -43.15 -50.94 6.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.314 -0.866 . . . . 0.0 110.258 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -49.9 -61.92 1.86 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.191 -0.943 . . . . 0.0 110.153 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -50.9 -63.21 1.2 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 110.049 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 5.6 m-85 -42.15 -41.48 2.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.37 -0.832 . . . . 0.0 109.868 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.442 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -69.16 -32.18 71.34 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.859 179.647 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.5 tpt85 -69.67 -49.94 48.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 109.944 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -32.71 72.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.277 -0.89 . . . . 0.0 110.024 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 1.5 m-85 -70.15 -49.86 46.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.233 -0.917 . . . . 0.0 110.117 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -65.28 -44.29 88.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 0.0 110.082 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -64.68 -40.36 95.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.194 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.0 t -71.29 -39.02 71.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.304 -0.873 . . . . 0.0 110.108 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.5 m-85 -77.78 -24.45 48.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.225 -0.922 . . . . 0.0 110.239 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -70.85 -44.18 66.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 110.228 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -82.82 0.15 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.225 -0.922 . . . . 0.0 110.191 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.8 148.98 34.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 110.219 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.76 -1.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.255 0.55 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -126.03 -82.58 0.46 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -86.45 -61.36 1.76 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.219 -1.165 . . . . 0.0 110.238 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.529 ' CB ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER 71.85 -0.52 3.16 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.389 -0.819 . . . . 0.0 110.539 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.29 -68.83 0.19 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.114 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -50.78 -58.58 5.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 0.0 109.975 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.502 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -42.92 -40.13 2.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.298 -0.876 . . . . 0.0 109.79 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -72.22 -33.63 67.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.371 -0.831 . . . . 0.0 109.879 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' THR . 27.5 ttt85 -68.09 -47.67 67.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -0.892 . . . . 0.0 109.918 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.01 -35.48 69.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.047 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' PHE . 4.9 m-85 -65.92 -44.58 84.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.244 -0.91 . . . . 0.0 110.111 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -71.78 -47.79 51.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.179 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -38.72 90.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 0.0 110.175 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.0 m -81.0 -37.35 29.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 0.0 110.199 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.52 ' CB ' ' O ' ' A' ' 11' ' ' PHE . 74.1 t80 -77.52 -15.41 59.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.23 -0.919 . . . . 0.0 110.219 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -82.46 -33.55 28.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.289 -0.882 . . . . 0.0 110.22 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 tm0? -107.55 -13.08 15.15 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.216 -0.928 . . . . 0.0 110.222 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -160.15 85.11 0.73 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -0.864 . . . . 0.0 110.231 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.239 0.542 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.466 ' O ' ' HB2' ' A' ' 5' ' ' SER . . . -157.15 89.32 0.11 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.31 -46.57 9.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.254 -1.145 . . . . 0.0 110.203 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 4' ' ' LEU . 25.1 mt -45.46 -49.58 13.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.242 -0.911 . . . . 0.0 110.151 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' A' ' 2' ' ' GLY . 3.1 m -49.17 -61.51 2.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.269 -0.894 . . . . 0.0 110.103 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -52.65 -62.89 1.35 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 110.126 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -42.07 -41.61 2.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.406 -0.809 . . . . 0.0 109.922 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 80.9 t80 -69.75 -32.51 71.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.0 109.901 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -67.92 -46.01 72.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.322 -0.861 . . . . 0.0 109.832 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.34 -35.03 71.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.284 -0.885 . . . . 0.0 110.037 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.478 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -68.09 -45.84 72.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 110.104 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -69.46 -45.99 67.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.297 -0.877 . . . . 0.0 110.107 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -43.97 96.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.319 -0.863 . . . . 0.0 110.162 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.1 m -69.33 -38.58 78.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.91 . . . . 0.0 110.211 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 5.0 t80 -69.6 -35.17 75.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.263 -0.898 . . . . 0.0 110.188 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' GLN . 54.4 m -57.56 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -0.905 . . . . 0.0 110.161 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -44.16 -64.8 0.6 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 110.208 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.28 115.99 28.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.308 -0.87 . . . . 0.0 110.192 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.161 0.505 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.66 -171.79 42.46 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.84 -20.82 64.31 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.251 -1.147 . . . . 0.0 110.257 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 4' ' ' LEU . 13.1 tp -63.3 -51.59 65.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.294 -0.879 . . . . 0.0 110.168 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -49.97 -59.38 3.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -51.82 -63.17 1.22 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.22 -0.925 . . . . 0.0 110.103 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -41.68 -41.05 2.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.402 -0.811 . . . . 0.0 110.012 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -32.63 70.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.302 -0.874 . . . . 0.0 109.904 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.58 -49.58 58.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 109.953 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -68.37 -37.05 80.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 110.105 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 17.9 t80 -64.69 -47.27 79.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.196 -0.94 . . . . 0.0 110.177 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -67.64 -53.09 30.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.245 -0.909 . . . . 0.0 110.27 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' CG ' ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.81 -25.32 68.19 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.258 -0.901 . . . . 0.0 110.248 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 11.0 t -77.13 -46.38 23.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 0.0 110.164 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -36.15 76.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.276 -0.89 . . . . 0.0 110.221 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 m -44.69 -46.99 10.62 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.269 -0.895 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.1 -73.46 0.21 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.247 -0.908 . . . . 0.0 110.202 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.21 11.93 0.82 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.873 . . . . 0.0 110.183 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . 0.477 ' N ' ' HA ' ' A' ' 14' ' ' SER . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.884 -1.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.5 p . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.243 0.544 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.64 65.93 1.44 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p -100.2 -59.15 1.76 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.184 -1.186 . . . . 0.0 110.18 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tp -49.44 -50.73 39.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.236 -0.915 . . . . 0.0 110.191 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 6' ' ' THR . 83.1 p -46.84 -59.25 3.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 0.0 110.096 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -53.96 -62.23 1.79 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 110.208 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.1 m-30 -41.99 -41.67 2.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.394 -0.816 . . . . 0.0 109.934 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -70.06 -33.09 71.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.369 -0.832 . . . . 0.0 109.834 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -66.5 -45.75 78.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.903 . . . . 0.0 109.807 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 10' ' ' LEU . 9.8 tt -71.11 -37.34 72.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.367 -0.833 . . . . 0.0 109.978 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -51.58 56.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 0.0 110.037 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.432 ' O ' ' OG1' ' A' ' 16' ' ' THR . 7.5 t-20 -65.2 -41.67 94.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.0 110.084 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -48.09 83.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.268 -0.895 . . . . 0.0 110.139 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -66.57 -37.39 84.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.0 110.186 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -47.8 83.86 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.315 -0.866 . . . . 0.0 110.228 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -53.58 -31.77 48.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.173 -0.955 . . . . 0.0 110.224 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -76.49 -65.29 0.95 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.934 . . . . 0.0 110.252 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.95 89.85 1.78 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 110.195 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.29 0.567 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.57 134.73 1.7 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -88.34 -36.15 16.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.23 -1.159 . . . . 0.0 110.256 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 3' ' ' THR . 0.3 OUTLIER -42.97 -52.64 5.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.316 -0.865 . . . . 0.0 110.122 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -48.09 -60.23 2.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.239 -0.913 . . . . 0.0 110.134 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -52.02 -64.19 0.89 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.312 -0.868 . . . . 0.0 110.128 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -41.71 -41.62 2.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 109.948 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 4.6 m-85 -69.35 -32.11 70.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.267 -0.895 . . . . 0.0 109.953 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -71.36 -46.04 61.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.939 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.73 -37.27 79.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 110.045 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 2.1 t80 -69.16 -45.27 70.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 110.104 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -65.64 -45.35 83.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 0.0 110.195 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -42.15 96.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.341 -0.85 . . . . 0.0 110.201 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -64.12 -45.83 86.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.275 -0.891 . . . . 0.0 110.174 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -28.57 65.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 110.234 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.8 m -84.11 -28.53 27.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 110.256 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -95.89 -9.99 29.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.933 . . . . 0.0 110.164 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . 57.43 54.11 6.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.233 -0.917 . . . . 0.0 110.19 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.854 -1.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.168 0.509 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 124.23 -60.79 0.6 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -159.15 -57.95 0.07 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.244 -1.151 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.752 HD23 ' CD1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 71.68 -0.13 3.28 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.342 -0.849 . . . . 0.0 110.503 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -56.03 -67.11 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.023 -1.048 . . . . 0.0 110.11 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.91 -59.29 4.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 0.0 110.067 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -42.38 -42.11 3.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.277 -0.89 . . . . 0.0 109.811 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.752 ' CD1' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -70.28 -33.76 71.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.365 -0.834 . . . . 0.0 109.833 179.526 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -68.32 -46.25 70.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 109.903 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.9 -38.7 79.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.34 -0.85 . . . . 0.0 110.017 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 7.9 t80 -65.02 -44.25 89.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.28 -0.887 . . . . 0.0 110.093 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.62 -48.01 67.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.315 -0.866 . . . . 0.0 110.118 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -38.03 82.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.212 -0.93 . . . . 0.0 110.156 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -69.99 -48.02 59.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 0.0 110.197 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -42.77 89.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.301 -0.874 . . . . 0.0 110.177 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.6 m -66.17 -19.14 65.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.242 -0.911 . . . . 0.0 110.178 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -86.38 -51.88 5.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.892 . . . . 0.0 110.21 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.65 89.91 5.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.225 -0.922 . . . . 0.0 110.218 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.276 0.56 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.13 97.58 0.01 OUTLIER Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 15.5 m -110.88 -46.97 3.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -1.142 . . . . 0.0 110.193 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.24 -62.03 1.87 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.223 -0.923 . . . . 0.0 110.149 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 m -48.93 -60.01 3.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.32 -0.862 . . . . 0.0 110.208 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.75 -62.57 1.48 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.17 -0.957 . . . . 0.0 110.105 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -42.15 -41.28 2.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -0.807 . . . . 0.0 109.903 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.12 -32.97 72.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.364 -0.835 . . . . 0.0 109.832 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 6' ' ' THR . 14.2 ttt180 -68.9 -43.75 74.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.246 -0.909 . . . . 0.0 109.928 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tp -70.96 -37.11 72.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.239 -0.913 . . . . 0.0 110.036 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -67.13 -44.13 80.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -69.09 -49.7 54.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 0.0 110.164 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.86 -46.7 87.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' ALA . 34.5 t -64.93 -41.91 95.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.226 -0.921 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -61.18 -41.06 96.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.23 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.7 m -72.17 -24.83 61.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.283 -0.886 . . . . 0.0 110.228 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -101.13 -10.39 20.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.233 -0.917 . . . . 0.0 110.198 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 49.68 -172.84 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.156 -0.965 . . . . 0.0 110.163 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 2' ' ' GLY . 3.6 m . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.301 0.572 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 1' ' ' SER . . . -55.58 -167.32 0.05 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -96.09 -87.2 0.3 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.289 -1.124 . . . . 0.0 110.208 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 7' ' ' PHE . 0.1 OUTLIER 71.55 -0.29 3.2 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.322 -0.861 . . . . 0.0 110.601 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -56.12 -66.68 0.39 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.925 -1.11 . . . . 0.0 110.147 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.0 -61.16 2.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 0.0 110.109 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.529 ' HB3' HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -42.3 -41.14 2.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.331 -0.856 . . . . 0.0 109.907 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.508 ' HD2' HD12 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -70.47 -32.75 70.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.256 -0.902 . . . . 0.0 109.926 179.571 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -67.71 -46.16 73.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.874 . . . . 0.0 109.911 179.722 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 14' ' ' SER . 0.6 OUTLIER -70.34 -39.29 74.8 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.32 -0.863 . . . . 0.0 109.99 179.781 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -64.21 -43.12 96.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.891 . . . . 0.0 110.1 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -69.82 -48.3 59.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.174 -0.954 . . . . 0.0 110.134 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -58.61 -42.14 87.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.18 -0.95 . . . . 0.0 110.2 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -69.27 -44.28 72.21 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 0.0 110.162 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.24 -43.93 88.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.249 -0.907 . . . . 0.0 110.149 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.9 m -81.79 -18.7 43.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.344 -0.847 . . . . 0.0 110.134 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.567 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 33.2 tt0 -87.88 -20.51 25.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.882 . . . . 0.0 110.169 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . 61.51 117.42 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.256 -0.903 . . . . 0.0 110.229 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.885 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.315 0.579 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.416 ' C ' ' OG1' ' A' ' 3' ' ' THR . . . -54.48 -68.88 1.44 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -162.54 -61.76 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.234 -1.157 . . . . 0.0 110.227 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.514 ' CB ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER 71.65 -0.44 3.16 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.32 -0.862 . . . . 0.0 110.574 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -55.8 -68.02 0.24 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.968 -1.082 . . . . 0.0 109.96 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -45.61 -58.94 3.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 0.0 109.721 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 24.7 m-85 -43.29 -40.97 3.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.866 . . . . 0.0 109.628 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -33.82 72.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.418 -0.801 . . . . 0.0 109.891 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 6' ' ' THR . 25.3 ttp85 -67.87 -49.89 59.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.302 -0.874 . . . . 0.0 109.818 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 tp -66.18 -37.54 85.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.368 -0.832 . . . . 0.0 109.962 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -64.24 -45.27 88.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.268 -0.895 . . . . 0.0 110.05 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -66.1 -52.0 52.79 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.314 -0.866 . . . . 0.0 110.135 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -52.92 63.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -0.906 . . . . 0.0 110.183 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 17' ' ' GLN . 3.9 t -57.06 -42.23 80.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.888 . . . . 0.0 110.162 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -60.18 -47.42 86.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.133 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -72.07 -21.53 61.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.471 ' HB3' ' O ' ' A' ' 14' ' ' SER . 22.5 tp60 -62.95 -68.27 0.35 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.298 -0.876 . . . . 0.0 110.233 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.57 173.48 0.08 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.901 . . . . 0.0 110.181 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.4 t . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.219 0.533 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.91 69.47 1.23 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 2.6 m -88.15 -48.19 7.9 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.224 -1.162 . . . . 0.0 110.168 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER 71.89 -0.89 3.04 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.333 -0.854 . . . . 0.0 110.62 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -59.33 -70.06 0.17 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.013 -1.054 . . . . 0.0 110.156 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -51.08 -62.29 1.7 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.244 -0.91 . . . . 0.0 110.076 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' THR . 4.2 m-85 -41.84 -41.74 2.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.281 -0.887 . . . . 0.0 109.928 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -69.73 -32.76 71.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.914 . . . . 0.0 109.916 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -69.12 -51.63 36.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.216 -0.928 . . . . 0.0 109.869 179.75 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -66.96 -33.21 75.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.0 110.03 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.49 -50.41 31.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.294 -0.879 . . . . 0.0 110.116 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.705 ' O ' HG23 ' A' ' 16' ' ' THR . 56.8 t-20 -62.56 -40.76 97.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 110.067 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' O ' ' OG1' ' A' ' 16' ' ' THR . 21.2 mmm180 -66.31 -51.32 58.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.245 -0.909 . . . . 0.0 110.146 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -62.23 -30.48 71.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.098 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' THR . 40.5 t80 -72.01 -52.27 17.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.277 -0.889 . . . . 0.0 110.193 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 12' ' ' ASN . 40.8 p -43.81 -69.67 0.13 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.212 -0.93 . . . . 0.0 110.241 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.71 -85.47 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.194 -0.941 . . . . 0.0 110.204 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.1 -73.08 0.66 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.89 . . . . 0.0 110.168 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.919 -1.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.21 0.529 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.77 148.62 16.44 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.3 p -127.03 -40.96 1.83 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.2 -1.176 . . . . 0.0 110.208 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -48.15 -48.93 33.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.0 110.176 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -54.81 -65.41 0.58 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.232 -0.918 . . . . 0.0 110.23 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -50.07 -62.32 1.64 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 110.151 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 5.2 m-85 -41.8 -41.11 2.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.39 -0.819 . . . . 0.0 109.946 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -70.68 -32.61 69.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -0.877 . . . . 0.0 109.866 179.65 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 6' ' ' THR . 2.6 mmt180 -67.85 -46.4 71.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.259 -0.901 . . . . 0.0 109.86 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -39.3 74.84 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.266 -0.896 . . . . 0.0 110.035 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 1.4 t80 -65.33 -46.09 81.69 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.217 -0.927 . . . . 0.0 110.056 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 5.8 t-20 -67.02 -44.27 80.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.208 -0.933 . . . . 0.0 110.081 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -60.39 -43.41 96.67 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.22 -0.925 . . . . 0.0 110.125 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -41.14 81.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.291 -0.881 . . . . 0.0 110.2 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' THR . 4.4 t80 -64.24 -37.44 87.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.287 -0.883 . . . . 0.0 110.202 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' PHE . 5.7 m -43.36 -27.41 0.25 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.895 . . . . 0.0 110.206 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.651 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 2.6 mt-30 -131.79 -74.44 0.52 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.243 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . 173.37 132.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.278 0.561 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.0 -164.55 13.76 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.1 p -130.64 -51.4 1.07 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.247 -1.149 . . . . 0.0 110.217 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -55.74 14.19 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.253 -0.904 . . . . 0.0 110.103 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.47 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -49.94 -60.21 3.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 110.139 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -48.81 -62.09 1.7 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 110.006 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.0 m-85 -42.69 -40.88 2.93 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.34 -0.85 . . . . 0.0 109.773 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.85 -33.13 73.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.375 -0.828 . . . . 0.0 109.864 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.2 mtt180 -68.49 -45.87 71.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.258 -0.901 . . . . 0.0 109.884 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -36.94 78.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -0.834 . . . . 0.0 109.996 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.418 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -65.91 -52.5 49.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.447 ' O ' ' OG1' ' A' ' 16' ' ' THR . 16.1 t-20 -63.41 -49.4 73.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.262 -0.899 . . . . 0.0 110.184 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HA ' ' OG1' ' A' ' 16' ' ' THR . 10.7 ttp180 -57.54 -39.46 76.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 0.0 110.203 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.7 m -66.68 -48.56 68.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.278 -0.888 . . . . 0.0 110.136 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.442 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 4.8 t80 -64.43 -27.81 69.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 0.0 110.221 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -78.89 -60.7 2.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.176 -0.952 . . . . 0.0 110.29 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 16' ' ' THR . 3.0 mm-40 -42.82 -62.68 0.95 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.327 -0.858 . . . . 0.0 110.223 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.51 66.36 1.16 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.875 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.22 0.533 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.53 83.38 0.16 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -120.37 -77.8 0.58 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.387 -1.066 . . . . 0.0 110.239 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 3' ' ' THR . 9.0 mt 67.12 3.32 3.12 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.372 -0.83 . . . . 0.0 110.676 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 p -58.42 -68.77 0.22 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.922 -1.111 . . . . 0.0 110.068 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -50.37 -60.82 2.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.278 -0.889 . . . . 0.0 109.972 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 65.5 m-85 -42.04 -41.98 2.74 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.319 -0.863 . . . . 0.0 109.906 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.432 ' CE1' ' HB3' ' A' ' 4' ' ' LEU . 3.6 m-85 -70.52 -32.53 70.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.882 . . . . 0.0 109.965 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 1.4 ttm180 -70.07 -41.55 73.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 110.021 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -38.75 65.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.387 -0.821 . . . . 0.0 110.049 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.451 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -67.73 -45.93 73.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 0.0 110.121 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -69.96 -47.01 63.98 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.083 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -62.28 -42.56 99.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 0.0 110.149 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' ALA . 86.2 p -68.48 -40.92 80.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 110.194 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.3 m-85 -63.27 -42.57 99.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.339 -0.851 . . . . 0.0 110.201 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.3 p -62.99 -24.14 67.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.26 -0.9 . . . . 0.0 110.25 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.533 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 45.6 tt0 -106.8 -11.8 15.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 0.0 110.202 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . 59.54 66.81 0.96 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.306 -0.871 . . . . 0.0 110.228 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.904 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.238 0.542 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.73 50.94 1.54 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -55.82 -65.13 0.65 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.243 -1.151 . . . . 0.0 110.232 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.587 HD13 ' HB2' ' A' ' 7' ' ' PHE . 0.2 OUTLIER 71.56 -0.28 3.21 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.377 -0.827 . . . . 0.0 110.543 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -68.4 0.23 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.977 -1.077 . . . . 0.0 110.128 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -49.44 -59.22 3.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 0.0 109.96 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.587 ' HB2' HD13 ' A' ' 4' ' ' LEU . 45.8 m-85 -42.13 -43.46 3.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.894 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -69.15 -33.55 73.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.819 . . . . 0.0 109.965 179.573 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -67.61 -47.97 68.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.21 -0.931 . . . . 0.0 109.852 179.709 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 14' ' ' SER . 0.2 OUTLIER -67.0 -39.0 87.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.874 . . . . 0.0 109.976 179.774 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -62.98 -51.48 66.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.25 -0.906 . . . . 0.0 110.02 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -61.48 -51.51 68.36 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -0.905 . . . . 0.0 110.099 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -57.0 -54.64 44.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.312 -0.867 . . . . 0.0 110.16 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.453 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 1.4 m -51.86 -47.0 64.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.234 -0.916 . . . . 0.0 110.215 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -58.1 -46.22 85.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 0.0 110.117 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -51.63 -37.8 51.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.197 -0.939 . . . . 0.0 110.178 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.615 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 11.1 mm-40 -75.13 -74.56 0.2 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.893 . . . . 0.0 110.141 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . 63.56 165.75 0.13 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.255 -0.903 . . . . 0.0 110.172 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.785 -1.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.192 0.52 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.08 -106.43 0.75 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -157.59 -80.46 0.07 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.209 -1.171 . . . . 0.0 110.247 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 3' ' ' THR . 17.9 mt 66.17 3.85 2.88 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.394 -0.816 . . . . 0.0 110.692 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -58.67 -65.45 0.66 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.94 -1.1 . . . . 0.0 110.01 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -51.12 -60.53 3.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 0.0 109.979 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.9 m-85 -41.94 -43.98 3.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.407 -0.808 . . . . 0.0 109.866 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.6 OUTLIER -67.84 -33.69 75.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -0.855 . . . . 0.0 109.826 179.514 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -70.46 -43.8 69.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.338 -0.851 . . . . 0.0 109.773 179.78 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -38.75 84.48 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.317 -0.864 . . . . 0.0 109.922 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -46.22 72.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.886 . . . . 0.0 110.081 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 1.2 t-20 -63.16 -51.22 67.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.329 -0.857 . . . . 0.0 110.145 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.34 -49.98 75.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.2 -0.938 . . . . 0.0 110.114 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 18' ' ' ALA . 60.2 p -60.4 -34.99 74.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.139 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -50.53 63.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.207 -0.933 . . . . 0.0 110.14 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -34.62 74.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 0.0 110.167 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.642 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.1 tt0 -95.74 -9.47 31.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.347 -0.846 . . . . 0.0 110.177 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . 65.06 91.93 0.08 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.265 -0.897 . . . . 0.0 110.172 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.801 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.227 0.537 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.03 56.09 0.01 OUTLIER Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -144.86 -80.5 0.17 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.241 -1.152 . . . . 0.0 110.215 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' A' ' 3' ' ' THR . 1.4 tp 71.47 -0.0 3.3 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.268 -0.895 . . . . 0.0 110.541 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 6' ' ' THR . 98.8 p -56.55 -67.8 0.27 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.994 -1.066 . . . . 0.0 110.147 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -48.35 -60.79 2.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.178 -0.951 . . . . 0.0 109.977 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' THR . 44.1 m-85 -41.84 -43.17 2.91 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.409 -0.807 . . . . 0.0 109.953 179.871 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -69.1 -33.05 72.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.347 -0.845 . . . . 0.0 109.931 179.654 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.01 -49.45 61.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 110.017 179.788 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tp -67.51 -36.92 82.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.862 . . . . 0.0 109.988 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 12.9 t80 -64.34 -51.26 64.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 0.0 110.054 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.52 -51.73 64.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.263 -0.898 . . . . 0.0 110.066 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.22 -39.05 78.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.302 -0.874 . . . . 0.0 110.128 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -64.88 -47.31 78.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 110.117 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -39.36 92.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 110.156 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 p -78.44 -26.48 46.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.195 -0.941 . . . . 0.0 110.157 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.7 -46.17 83.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 110.182 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.55 -165.97 0.59 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.292 -0.88 . . . . 0.0 110.167 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.23 0.538 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.5 95.02 0.51 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 m -130.12 -64.71 0.85 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.295 -1.12 . . . . 0.0 110.157 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 9.7 mp -45.7 -50.01 14.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 110.144 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.6 -61.03 2.54 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.135 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -51.18 -62.51 1.57 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.227 -0.921 . . . . 0.0 110.185 179.938 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 1.3 m-30 -41.72 -41.96 2.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 109.891 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -69.3 -33.05 72.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.33 -0.856 . . . . 0.0 109.836 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 6' ' ' THR . 10.6 tpt180 -67.47 -49.37 63.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 0.0 109.794 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -35.22 78.42 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 0.0 109.915 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.472 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 4.0 t80 -68.05 -46.32 71.42 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -0.925 . . . . 0.0 109.935 179.788 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.01 -46.45 81.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.286 -0.884 . . . . 0.0 110.024 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -42.43 98.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.348 -0.845 . . . . 0.0 110.104 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.9 p -70.27 -31.35 68.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.308 -0.87 . . . . 0.0 110.146 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -70.75 -42.56 70.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.302 -0.874 . . . . 0.0 110.201 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' PHE . 2.4 m -42.98 -26.76 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.228 -0.92 . . . . 0.0 110.188 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' PHE . 71.6 mt-30 -109.04 -69.24 0.87 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.233 -0.917 . . . . 0.0 110.236 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -172.47 -145.85 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.289 -0.882 . . . . 0.0 110.184 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.405 -2.676 0 CA-C-O 121.398 0.618 . . . . 2.0499999999999998 111.747 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -53.04 -63.58 1.1 Allowed 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.854 -1.154 . . . . 1.1299999999999999 110.224 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -50.64 -62.09 1.81 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.147 -0.971 . . . . 0.20999999999999999 110.081 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 1.4 m-85 -42.1 -41.8 2.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.4 -0.813 . . . . 1.49 109.918 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -33.02 72.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.315 -0.865 . . . . 2.2999999999999998 109.869 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.823 ' CZ ' HH22 ' A' ' 9' ' ' ARG . 17.3 ttt180 -68.48 -46.54 69.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 3.2799999999999998 109.894 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.423 ' CD2' ' CB ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -69.29 -37.35 77.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -0.927 . . . . 1.6100000000000001 109.995 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.562 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -66.21 -48.04 71.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 1.8100000000000001 110.084 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 1.207 ' OD1' ' CB ' ' A' ' 12' ' ' ASN . 13.4 t-20 -65.99 -46.54 77.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.153 -0.967 . . . . 1.52 110.157 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 1.349 ' CD ' ' CB ' ' A' ' 13' ' ' ARG . 38.9 ttt180 -60.63 -44.5 96.3 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.935 . . . . 3.4399999999999999 110.171 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 1.1 ' OG ' ' HB2' ' A' ' 14' ' ' SER . 0.9 OUTLIER -66.91 -40.51 87.72 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.116 -0.99 . . . . 1.26 110.253 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -66.52 -36.92 83.9 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.082 -1.011 . . . . 2.02 110.353 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -66.0 -40.59 91.29 Favored 'General case' 1 C--O 1.15 -4.137 0 O-C-N 120.998 -1.064 . . . . 1.2 110.723 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 1.533 ' CD ' ' CB ' ' A' ' 17' ' ' GLN 0.345 5.7 tt0 -89.71 -48.86 7.0 Favored 'General case' 3 C--O 0.952 -14.595 0 CA-C-O 127.612 3.577 . . . . 3.25 117.255 -179.99 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.341 ' CB ' ' N ' ' A' ' 18' ' ' ALA 1.121 . . . . . . . 4 C--O 0.187 -54.827 3 CA-C-O 162.656 20.265 . . . . 3.6299999999999999 126.591 179.996 . . . . . . . . 4 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.813 0 CA-C-O 120.997 0.427 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -59.63 -70.33 0.17 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.99 -1.069 . . . . 0.0 110.083 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -50.37 -62.5 1.55 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 110.072 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -42.31 -41.37 2.78 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.323 -0.861 . . . . 0.0 109.762 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.448 ' HB3' ' O ' ' A' ' 5' ' ' SER . 19.9 t80 -68.15 -34.01 75.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.308 -0.87 . . . . 0.0 109.693 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.3 mtt180 -67.85 -45.64 74.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.267 -0.896 . . . . 0.0 109.78 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.1 tp -68.47 -35.6 77.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 109.903 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -66.33 -49.63 66.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.274 -0.891 . . . . 0.0 110.01 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -64.5 -47.45 78.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.308 -0.87 . . . . 0.0 110.149 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -61.52 -42.12 98.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.268 -0.895 . . . . 0.0 110.189 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.1 p -63.29 -48.11 79.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.257 -0.902 . . . . 0.0 110.158 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -31.8 73.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.0 110.155 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.1 m -63.25 -21.01 65.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.247 -0.908 . . . . 0.0 110.202 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -105.47 -72.24 0.72 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.239 -0.913 . . . . 0.0 110.245 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.226 -0.921 . . . . 0.0 110.247 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.222 0.534 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 p -46.46 -59.31 3.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 0.0 110.051 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.2 -62.5 1.61 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.23 -0.919 . . . . 0.0 110.078 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -41.85 -42.9 2.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.342 -0.849 . . . . 0.0 109.881 179.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -33.33 74.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.35 -0.844 . . . . 0.0 109.781 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' THR . 3.2 ttp180 -66.78 -43.27 84.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.227 -0.921 . . . . 0.0 109.765 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.78 -41.13 75.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.327 -0.858 . . . . 0.0 110.012 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.77 -53.02 60.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 110.144 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -62.46 -53.2 58.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.405 -0.809 . . . . 0.0 110.116 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 1.3 mmt85 -49.79 -48.86 50.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.208 -0.933 . . . . 0.0 110.164 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 t -61.52 -45.03 95.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.331 -0.856 . . . . 0.0 110.159 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -24.32 65.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 110.212 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.449 ' OG1' ' HA ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -86.91 -23.52 25.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.207 -0.933 . . . . 0.0 110.236 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -76.73 -73.03 0.31 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.149 -0.97 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.263 -0.898 . . . . 0.0 110.224 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.261 0.553 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -50.23 -55.96 13.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.135 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -53.2 -63.06 1.27 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.906 . . . . 0.0 110.172 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -41.81 -42.26 2.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.868 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -67.83 -34.18 76.22 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.366 -0.833 . . . . 0.0 109.624 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -65.91 -44.43 85.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.277 -0.889 . . . . 0.0 109.712 179.591 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -40.23 81.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.37 -0.831 . . . . 0.0 109.939 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -61.65 -47.93 83.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.889 . . . . 0.0 110.023 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.02 -47.5 77.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.228 -0.92 . . . . 0.0 110.131 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -57.12 -47.37 81.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 110.157 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -41.08 97.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 0.0 110.207 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.47 -25.4 61.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.295 -0.878 . . . . 0.0 110.29 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.1 m -90.68 -25.02 20.27 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 0.0 110.222 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -71.87 -59.9 2.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 110.195 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.221 -0.925 . . . . 0.0 110.228 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.205 0.526 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -49.9 -61.92 1.86 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.191 -0.943 . . . . 0.0 110.153 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -50.9 -63.21 1.2 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 110.049 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 5.6 m-85 -42.15 -41.48 2.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.37 -0.832 . . . . 0.0 109.868 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.442 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -69.16 -32.18 71.34 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.859 179.647 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.5 tpt85 -69.67 -49.94 48.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 109.944 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -32.71 72.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.277 -0.89 . . . . 0.0 110.024 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 1.5 m-85 -70.15 -49.86 46.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.233 -0.917 . . . . 0.0 110.117 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -65.28 -44.29 88.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 0.0 110.082 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -64.68 -40.36 95.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.194 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.0 t -71.29 -39.02 71.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.304 -0.873 . . . . 0.0 110.108 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.5 m-85 -77.78 -24.45 48.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.225 -0.922 . . . . 0.0 110.239 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -70.85 -44.18 66.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 110.228 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -82.82 0.15 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.225 -0.922 . . . . 0.0 110.191 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 110.219 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 121.038 0.447 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.29 -68.83 0.19 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.114 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -50.78 -58.58 5.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 0.0 109.975 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.502 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -42.92 -40.13 2.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.298 -0.876 . . . . 0.0 109.79 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -72.22 -33.63 67.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.371 -0.831 . . . . 0.0 109.879 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' THR . 27.5 ttt85 -68.09 -47.67 67.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -0.892 . . . . 0.0 109.918 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.01 -35.48 69.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.047 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' PHE . 4.9 m-85 -65.92 -44.58 84.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.244 -0.91 . . . . 0.0 110.111 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -71.78 -47.79 51.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.179 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -38.72 90.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 0.0 110.175 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.0 m -81.0 -37.35 29.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 0.0 110.199 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.52 ' CB ' ' O ' ' A' ' 11' ' ' PHE . 74.1 t80 -77.52 -15.41 59.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.23 -0.919 . . . . 0.0 110.219 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -82.46 -33.55 28.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.289 -0.882 . . . . 0.0 110.22 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 tm0? -107.55 -13.08 15.15 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.216 -0.928 . . . . 0.0 110.222 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.318 -0.864 . . . . 0.0 110.231 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 4' ' ' LEU . 25.1 mt . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.201 0.524 . . . . 0.0 110.151 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -49.17 -61.51 2.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.269 -0.894 . . . . 0.0 110.103 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -52.65 -62.89 1.35 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 110.126 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -42.07 -41.61 2.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.406 -0.809 . . . . 0.0 109.922 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 80.9 t80 -69.75 -32.51 71.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.0 109.901 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -67.92 -46.01 72.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.322 -0.861 . . . . 0.0 109.832 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.34 -35.03 71.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.284 -0.885 . . . . 0.0 110.037 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.478 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -68.09 -45.84 72.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 110.104 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -69.46 -45.99 67.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.297 -0.877 . . . . 0.0 110.107 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -43.97 96.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.319 -0.863 . . . . 0.0 110.162 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.1 m -69.33 -38.58 78.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.91 . . . . 0.0 110.211 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 5.0 t80 -69.6 -35.17 75.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.263 -0.898 . . . . 0.0 110.188 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' GLN . 54.4 m -57.56 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -0.905 . . . . 0.0 110.161 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -44.16 -64.8 0.6 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 110.208 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.308 -0.87 . . . . 0.0 110.192 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 4' ' ' LEU . 13.1 tp . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.251 0.548 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -49.97 -59.38 3.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -51.82 -63.17 1.22 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.22 -0.925 . . . . 0.0 110.103 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -41.68 -41.05 2.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.402 -0.811 . . . . 0.0 110.012 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -32.63 70.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.302 -0.874 . . . . 0.0 109.904 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.58 -49.58 58.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 109.953 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -68.37 -37.05 80.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 110.105 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 17.9 t80 -64.69 -47.27 79.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.196 -0.94 . . . . 0.0 110.177 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -67.64 -53.09 30.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.245 -0.909 . . . . 0.0 110.27 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' CG ' ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.81 -25.32 68.19 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.258 -0.901 . . . . 0.0 110.248 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 11.0 t -77.13 -46.38 23.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 0.0 110.164 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -36.15 76.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.276 -0.89 . . . . 0.0 110.221 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 m -44.69 -46.99 10.62 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.269 -0.895 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.1 -73.46 0.21 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.247 -0.908 . . . . 0.0 110.202 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.873 . . . . 0.0 110.183 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.212 0.53 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 6' ' ' THR . 83.1 p -46.84 -59.25 3.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 0.0 110.096 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -53.96 -62.23 1.79 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 110.208 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.1 m-30 -41.99 -41.67 2.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.394 -0.816 . . . . 0.0 109.934 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -70.06 -33.09 71.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.369 -0.832 . . . . 0.0 109.834 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -66.5 -45.75 78.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.903 . . . . 0.0 109.807 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 10' ' ' LEU . 9.8 tt -71.11 -37.34 72.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.367 -0.833 . . . . 0.0 109.978 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -51.58 56.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 0.0 110.037 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.432 ' O ' ' OG1' ' A' ' 16' ' ' THR . 7.5 t-20 -65.2 -41.67 94.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.0 110.084 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -48.09 83.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.268 -0.895 . . . . 0.0 110.139 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -66.57 -37.39 84.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.0 110.186 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -47.8 83.86 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.315 -0.866 . . . . 0.0 110.228 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -53.58 -31.77 48.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.173 -0.955 . . . . 0.0 110.224 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -76.49 -65.29 0.95 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.934 . . . . 0.0 110.252 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 110.195 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.22 0.533 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -48.09 -60.23 2.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.239 -0.913 . . . . 0.0 110.134 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -52.02 -64.19 0.89 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.312 -0.868 . . . . 0.0 110.128 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -41.71 -41.62 2.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 109.948 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 4.6 m-85 -69.35 -32.11 70.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.267 -0.895 . . . . 0.0 109.953 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -71.36 -46.04 61.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.939 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.73 -37.27 79.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 110.045 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 2.1 t80 -69.16 -45.27 70.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 110.104 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -65.64 -45.35 83.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 0.0 110.195 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -42.15 96.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.341 -0.85 . . . . 0.0 110.201 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -64.12 -45.83 86.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.275 -0.891 . . . . 0.0 110.174 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -28.57 65.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 110.234 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.8 m -84.11 -28.53 27.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 110.256 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -95.89 -9.99 29.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.933 . . . . 0.0 110.164 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.233 -0.917 . . . . 0.0 110.19 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.752 HD23 ' CD1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 121.029 0.443 . . . . 0.0 110.503 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -56.03 -67.11 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.023 -1.048 . . . . 0.0 110.11 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.91 -59.29 4.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 0.0 110.067 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -42.38 -42.11 3.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.277 -0.89 . . . . 0.0 109.811 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.752 ' CD1' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -70.28 -33.76 71.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.365 -0.834 . . . . 0.0 109.833 179.526 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -68.32 -46.25 70.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 109.903 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.9 -38.7 79.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.34 -0.85 . . . . 0.0 110.017 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 7.9 t80 -65.02 -44.25 89.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.28 -0.887 . . . . 0.0 110.093 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.62 -48.01 67.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.315 -0.866 . . . . 0.0 110.118 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -38.03 82.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.212 -0.93 . . . . 0.0 110.156 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -69.99 -48.02 59.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 0.0 110.197 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -42.77 89.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.301 -0.874 . . . . 0.0 110.177 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.6 m -66.17 -19.14 65.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.242 -0.911 . . . . 0.0 110.178 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -86.38 -51.88 5.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.892 . . . . 0.0 110.21 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.225 -0.922 . . . . 0.0 110.218 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.226 0.536 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 m -48.93 -60.01 3.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.32 -0.862 . . . . 0.0 110.208 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.75 -62.57 1.48 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.17 -0.957 . . . . 0.0 110.105 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -42.15 -41.28 2.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -0.807 . . . . 0.0 109.903 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.12 -32.97 72.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.364 -0.835 . . . . 0.0 109.832 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 6' ' ' THR . 14.2 ttt180 -68.9 -43.75 74.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.246 -0.909 . . . . 0.0 109.928 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tp -70.96 -37.11 72.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.239 -0.913 . . . . 0.0 110.036 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -67.13 -44.13 80.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -69.09 -49.7 54.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 0.0 110.164 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.86 -46.7 87.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' ALA . 34.5 t -64.93 -41.91 95.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.226 -0.921 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -61.18 -41.06 96.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.23 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.7 m -72.17 -24.83 61.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.283 -0.886 . . . . 0.0 110.228 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -101.13 -10.39 20.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.233 -0.917 . . . . 0.0 110.198 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' SER . . . . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.156 -0.965 . . . . 0.0 110.163 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 7' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 121.064 0.459 . . . . 0.0 110.601 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -56.12 -66.68 0.39 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.925 -1.11 . . . . 0.0 110.147 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.0 -61.16 2.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 0.0 110.109 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.529 ' HB3' HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -42.3 -41.14 2.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.331 -0.856 . . . . 0.0 109.907 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.508 ' HD2' HD12 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -70.47 -32.75 70.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.256 -0.902 . . . . 0.0 109.926 179.571 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -67.71 -46.16 73.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.874 . . . . 0.0 109.911 179.722 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 14' ' ' SER . 0.6 OUTLIER -70.34 -39.29 74.8 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.32 -0.863 . . . . 0.0 109.99 179.781 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -64.21 -43.12 96.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.891 . . . . 0.0 110.1 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -69.82 -48.3 59.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.174 -0.954 . . . . 0.0 110.134 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -58.61 -42.14 87.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.18 -0.95 . . . . 0.0 110.2 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -69.27 -44.28 72.21 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 0.0 110.162 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.24 -43.93 88.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.249 -0.907 . . . . 0.0 110.149 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.9 m -81.79 -18.7 43.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.344 -0.847 . . . . 0.0 110.134 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.567 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 33.2 tt0 -87.88 -20.51 25.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.882 . . . . 0.0 110.169 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.256 -0.903 . . . . 0.0 110.229 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 120.984 0.421 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -55.8 -68.02 0.24 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.968 -1.082 . . . . 0.0 109.96 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -45.61 -58.94 3.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 0.0 109.721 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 24.7 m-85 -43.29 -40.97 3.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.866 . . . . 0.0 109.628 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -33.82 72.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.418 -0.801 . . . . 0.0 109.891 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 6' ' ' THR . 25.3 ttp85 -67.87 -49.89 59.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.302 -0.874 . . . . 0.0 109.818 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 tp -66.18 -37.54 85.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.368 -0.832 . . . . 0.0 109.962 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -64.24 -45.27 88.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.268 -0.895 . . . . 0.0 110.05 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -66.1 -52.0 52.79 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.314 -0.866 . . . . 0.0 110.135 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -52.92 63.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -0.906 . . . . 0.0 110.183 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 17' ' ' GLN . 3.9 t -57.06 -42.23 80.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.888 . . . . 0.0 110.162 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -60.18 -47.42 86.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.133 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -72.07 -21.53 61.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.471 ' HB3' ' O ' ' A' ' 14' ' ' SER . 22.5 tp60 -62.95 -68.27 0.35 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.298 -0.876 . . . . 0.0 110.233 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.901 . . . . 0.0 110.181 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 121.015 0.436 . . . . 0.0 110.62 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -59.33 -70.06 0.17 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.013 -1.054 . . . . 0.0 110.156 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -51.08 -62.29 1.7 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.244 -0.91 . . . . 0.0 110.076 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' THR . 4.2 m-85 -41.84 -41.74 2.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.281 -0.887 . . . . 0.0 109.928 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -69.73 -32.76 71.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.914 . . . . 0.0 109.916 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -69.12 -51.63 36.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.216 -0.928 . . . . 0.0 109.869 179.75 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -66.96 -33.21 75.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.0 110.03 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.49 -50.41 31.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.294 -0.879 . . . . 0.0 110.116 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.705 ' O ' HG23 ' A' ' 16' ' ' THR . 56.8 t-20 -62.56 -40.76 97.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 110.067 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' O ' ' OG1' ' A' ' 16' ' ' THR . 21.2 mmm180 -66.31 -51.32 58.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.245 -0.909 . . . . 0.0 110.146 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -62.23 -30.48 71.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.098 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' THR . 40.5 t80 -72.01 -52.27 17.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.277 -0.889 . . . . 0.0 110.193 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 12' ' ' ASN . 40.8 p -43.81 -69.67 0.13 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.212 -0.93 . . . . 0.0 110.241 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.71 -85.47 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.194 -0.941 . . . . 0.0 110.204 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.89 . . . . 0.0 110.168 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.272 0.558 . . . . 0.0 110.176 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -54.81 -65.41 0.58 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.232 -0.918 . . . . 0.0 110.23 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -50.07 -62.32 1.64 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 110.151 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 5.2 m-85 -41.8 -41.11 2.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.39 -0.819 . . . . 0.0 109.946 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -70.68 -32.61 69.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -0.877 . . . . 0.0 109.866 179.65 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 6' ' ' THR . 2.6 mmt180 -67.85 -46.4 71.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.259 -0.901 . . . . 0.0 109.86 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -39.3 74.84 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.266 -0.896 . . . . 0.0 110.035 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 1.4 t80 -65.33 -46.09 81.69 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.217 -0.927 . . . . 0.0 110.056 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 5.8 t-20 -67.02 -44.27 80.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.208 -0.933 . . . . 0.0 110.081 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -60.39 -43.41 96.67 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.22 -0.925 . . . . 0.0 110.125 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -41.14 81.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.291 -0.881 . . . . 0.0 110.2 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' THR . 4.4 t80 -64.24 -37.44 87.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.287 -0.883 . . . . 0.0 110.202 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' PHE . 5.7 m -43.36 -27.41 0.25 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.895 . . . . 0.0 110.206 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.651 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 2.6 mt-30 -131.79 -74.44 0.52 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.243 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.257 0.551 . . . . 0.0 110.103 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.47 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -49.94 -60.21 3.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 110.139 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -48.81 -62.09 1.7 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 110.006 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.0 m-85 -42.69 -40.88 2.93 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.34 -0.85 . . . . 0.0 109.773 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.85 -33.13 73.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.375 -0.828 . . . . 0.0 109.864 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.2 mtt180 -68.49 -45.87 71.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.258 -0.901 . . . . 0.0 109.884 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -36.94 78.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -0.834 . . . . 0.0 109.996 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.418 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -65.91 -52.5 49.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.447 ' O ' ' OG1' ' A' ' 16' ' ' THR . 16.1 t-20 -63.41 -49.4 73.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.262 -0.899 . . . . 0.0 110.184 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HA ' ' OG1' ' A' ' 16' ' ' THR . 10.7 ttp180 -57.54 -39.46 76.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 0.0 110.203 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.7 m -66.68 -48.56 68.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.278 -0.888 . . . . 0.0 110.136 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.442 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 4.8 t80 -64.43 -27.81 69.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 0.0 110.221 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -78.89 -60.7 2.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.176 -0.952 . . . . 0.0 110.29 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 16' ' ' THR . 3.0 mm-40 -42.82 -62.68 0.95 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.327 -0.858 . . . . 0.0 110.223 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 110.302 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.432 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 9.0 mt . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 120.887 0.375 . . . . 0.0 110.676 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 p -58.42 -68.77 0.22 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.922 -1.111 . . . . 0.0 110.068 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -50.37 -60.82 2.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.278 -0.889 . . . . 0.0 109.972 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 65.5 m-85 -42.04 -41.98 2.74 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.319 -0.863 . . . . 0.0 109.906 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.432 ' CE1' ' HB3' ' A' ' 4' ' ' LEU . 3.6 m-85 -70.52 -32.53 70.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.882 . . . . 0.0 109.965 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 1.4 ttm180 -70.07 -41.55 73.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 110.021 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -38.75 65.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.387 -0.821 . . . . 0.0 110.049 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.451 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -67.73 -45.93 73.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 0.0 110.121 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -69.96 -47.01 63.98 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.083 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -62.28 -42.56 99.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 0.0 110.149 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' ALA . 86.2 p -68.48 -40.92 80.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 110.194 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.3 m-85 -63.27 -42.57 99.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.339 -0.851 . . . . 0.0 110.201 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.3 p -62.99 -24.14 67.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.26 -0.9 . . . . 0.0 110.25 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.533 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 45.6 tt0 -106.8 -11.8 15.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 0.0 110.202 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.306 -0.871 . . . . 0.0 110.228 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.587 HD13 ' HB2' ' A' ' 7' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 120.982 0.42 . . . . 0.0 110.543 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -68.4 0.23 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.977 -1.077 . . . . 0.0 110.128 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -49.44 -59.22 3.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 0.0 109.96 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.587 ' HB2' HD13 ' A' ' 4' ' ' LEU . 45.8 m-85 -42.13 -43.46 3.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.894 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -69.15 -33.55 73.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.819 . . . . 0.0 109.965 179.573 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -67.61 -47.97 68.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.21 -0.931 . . . . 0.0 109.852 179.709 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 14' ' ' SER . 0.2 OUTLIER -67.0 -39.0 87.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.874 . . . . 0.0 109.976 179.774 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -62.98 -51.48 66.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.25 -0.906 . . . . 0.0 110.02 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -61.48 -51.51 68.36 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -0.905 . . . . 0.0 110.099 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -57.0 -54.64 44.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.312 -0.867 . . . . 0.0 110.16 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.453 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 1.4 m -51.86 -47.0 64.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.234 -0.916 . . . . 0.0 110.215 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -58.1 -46.22 85.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 0.0 110.117 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -51.63 -37.8 51.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.197 -0.939 . . . . 0.0 110.178 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.615 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 11.1 mm-40 -75.13 -74.56 0.2 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.893 . . . . 0.0 110.141 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.255 -0.903 . . . . 0.0 110.172 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 17.9 mt . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 120.85 0.357 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -58.67 -65.45 0.66 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.94 -1.1 . . . . 0.0 110.01 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -51.12 -60.53 3.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 0.0 109.979 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.9 m-85 -41.94 -43.98 3.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.407 -0.808 . . . . 0.0 109.866 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.6 OUTLIER -67.84 -33.69 75.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -0.855 . . . . 0.0 109.826 179.514 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -70.46 -43.8 69.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.338 -0.851 . . . . 0.0 109.773 179.78 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -38.75 84.48 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.317 -0.864 . . . . 0.0 109.922 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -46.22 72.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.886 . . . . 0.0 110.081 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 1.2 t-20 -63.16 -51.22 67.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.329 -0.857 . . . . 0.0 110.145 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.34 -49.98 75.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.2 -0.938 . . . . 0.0 110.114 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 18' ' ' ALA . 60.2 p -60.4 -34.99 74.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.139 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -50.53 63.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.207 -0.933 . . . . 0.0 110.14 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -34.62 74.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 0.0 110.167 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.642 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.1 tt0 -95.74 -9.47 31.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.347 -0.846 . . . . 0.0 110.177 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.265 -0.897 . . . . 0.0 110.172 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 1.4 tp . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 121.033 0.444 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 6' ' ' THR . 98.8 p -56.55 -67.8 0.27 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.994 -1.066 . . . . 0.0 110.147 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -48.35 -60.79 2.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.178 -0.951 . . . . 0.0 109.977 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' THR . 44.1 m-85 -41.84 -43.17 2.91 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.409 -0.807 . . . . 0.0 109.953 179.871 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -69.1 -33.05 72.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.347 -0.845 . . . . 0.0 109.931 179.654 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.01 -49.45 61.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 110.017 179.788 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tp -67.51 -36.92 82.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.862 . . . . 0.0 109.988 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 12.9 t80 -64.34 -51.26 64.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 0.0 110.054 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.52 -51.73 64.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.263 -0.898 . . . . 0.0 110.066 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.472 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.22 -39.05 78.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.302 -0.874 . . . . 0.0 110.128 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -64.88 -47.31 78.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 110.117 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -39.36 92.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 110.156 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 p -78.44 -26.48 46.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.195 -0.941 . . . . 0.0 110.157 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.7 -46.17 83.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 110.182 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.292 -0.88 . . . . 0.0 110.167 -179.981 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 9.7 mp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.21 0.528 . . . . 0.0 110.144 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.6 -61.03 2.54 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.135 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -51.18 -62.51 1.57 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.227 -0.921 . . . . 0.0 110.185 179.938 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 1.3 m-30 -41.72 -41.96 2.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 109.891 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -69.3 -33.05 72.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.33 -0.856 . . . . 0.0 109.836 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 6' ' ' THR . 10.6 tpt180 -67.47 -49.37 63.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 0.0 109.794 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -35.22 78.42 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 0.0 109.915 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.472 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 4.0 t80 -68.05 -46.32 71.42 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -0.925 . . . . 0.0 109.935 179.788 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.01 -46.45 81.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.286 -0.884 . . . . 0.0 110.024 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -42.43 98.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.348 -0.845 . . . . 0.0 110.104 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.9 p -70.27 -31.35 68.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.308 -0.87 . . . . 0.0 110.146 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -70.75 -42.56 70.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.302 -0.874 . . . . 0.0 110.201 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' PHE . 2.4 m -42.98 -26.76 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.228 -0.92 . . . . 0.0 110.188 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' PHE . 71.6 mt-30 -109.04 -69.24 0.87 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.233 -0.917 . . . . 0.0 110.236 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.289 -0.882 . . . . 0.0 110.184 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . 1.293 85.5 p . . . . . 3 N--CA 0.162 -64.826 2 N-CA-C 136.58 9.474 . . . . 6.5700000000000003 136.58 . . . . . . . . . 3 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 138.34 103.18 0.6 Allowed Glycine 4 N--CA 0.535 -61.382 5 CA-C-N 155.674 17.488 . . . . 4.0700000000000003 140.964 179.725 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . 0.943 0.0 OUTLIER -105.13 -33.86 8.13 Favored 'General case' 3 C--N 0.632 -30.587 5 CA-C-O 155.533 16.873 . . . . 3.1699999999999999 134.792 -179.94 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -33.2 -34.24 0.02 OUTLIER 'General case' 1 C--N 0.522 -35.37 1 O-C-N 80.842 -26.162 . . . . 2.0499999999999998 111.747 -179.77 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -53.04 -63.58 1.1 Allowed 'General case' 0 C--N 1.297 -1.713 0 O-C-N 120.854 -1.154 . . . . 1.1299999999999999 110.224 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -50.64 -62.09 1.81 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.147 -0.971 . . . . 0.20999999999999999 110.081 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.562 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 1.4 m-85 -42.1 -41.8 2.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.4 -0.813 . . . . 1.49 109.918 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -33.02 72.49 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.315 -0.865 . . . . 2.2999999999999998 109.869 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.823 ' CZ ' HH22 ' A' ' 9' ' ' ARG . 17.3 ttt180 -68.48 -46.54 69.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 3.2799999999999998 109.894 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.423 ' CD2' ' CB ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -69.29 -37.35 77.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.217 -0.927 . . . . 1.6100000000000001 109.995 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.562 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -66.21 -48.04 71.9 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.261 -0.899 . . . . 1.8100000000000001 110.084 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 1.207 ' OD1' ' CB ' ' A' ' 12' ' ' ASN . 13.4 t-20 -65.99 -46.54 77.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.153 -0.967 . . . . 1.52 110.157 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 1.349 ' CD ' ' CB ' ' A' ' 13' ' ' ARG . 38.9 ttt180 -60.63 -44.5 96.3 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.203 -0.935 . . . . 3.4399999999999999 110.171 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 1.1 ' OG ' ' HB2' ' A' ' 14' ' ' SER . 0.9 OUTLIER -66.91 -40.51 87.72 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.116 -0.99 . . . . 1.26 110.253 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -66.52 -36.92 83.9 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.082 -1.011 . . . . 2.02 110.353 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -66.0 -40.59 91.29 Favored 'General case' 1 C--O 1.15 -4.137 0 O-C-N 120.998 -1.064 . . . . 1.2 110.723 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 1.533 ' CD ' ' CB ' ' A' ' 17' ' ' GLN 0.345 5.7 tt0 -89.71 -48.86 7.0 Favored 'General case' 3 C--O 0.952 -14.595 0 CA-C-O 127.612 3.577 . . . . 3.25 117.255 -179.99 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.435 ' N ' ' N ' ' A' ' 19' ' ' NH2 1.121 . . -125.35 -30.77 3.1 Favored 'General case' 4 C--O 0.187 -54.827 3 CA-C-O 162.656 20.265 . . . . 3.6299999999999999 126.591 179.996 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 1.435 ' N ' ' N ' ' A' ' 18' ' ' ALA . . . . . . . . 1 C--N 0.173 -50.571 2 O-C-N 38.029 -52.919 . . . . 3.8399999999999999 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.287 0.565 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.48 -157.63 7.81 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -130.02 -51.54 1.12 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.28 -1.13 . . . . 0.0 110.23 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER 71.33 0.22 3.36 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.282 -0.886 . . . . 0.0 110.533 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -59.63 -70.33 0.17 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.99 -1.069 . . . . 0.0 110.083 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -50.37 -62.5 1.55 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.225 -0.922 . . . . 0.0 110.072 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -42.31 -41.37 2.78 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.323 -0.861 . . . . 0.0 109.762 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.448 ' HB3' ' O ' ' A' ' 5' ' ' SER . 19.9 t80 -68.15 -34.01 75.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.308 -0.87 . . . . 0.0 109.693 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 6' ' ' THR . 7.3 mtt180 -67.85 -45.64 74.01 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.267 -0.896 . . . . 0.0 109.78 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.1 tp -68.47 -35.6 77.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.376 -0.828 . . . . 0.0 109.903 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -66.33 -49.63 66.32 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.274 -0.891 . . . . 0.0 110.01 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -64.5 -47.45 78.87 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.308 -0.87 . . . . 0.0 110.149 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -61.52 -42.12 98.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.268 -0.895 . . . . 0.0 110.189 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.1 p -63.29 -48.11 79.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.257 -0.902 . . . . 0.0 110.158 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -31.8 73.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.241 -0.912 . . . . 0.0 110.155 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.1 m -63.25 -21.01 65.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.247 -0.908 . . . . 0.0 110.202 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -105.47 -72.24 0.72 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.239 -0.913 . . . . 0.0 110.245 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.33 51.77 0.47 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.226 -0.921 . . . . 0.0 110.247 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.877 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.242 0.544 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.04 63.88 0.02 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.11 -70.37 0.79 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.231 -1.158 . . . . 0.0 110.285 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 mp -45.94 -51.02 14.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.263 -0.898 . . . . 0.0 110.172 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 p -46.46 -59.31 3.05 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 0.0 110.051 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.2 -62.5 1.61 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.23 -0.919 . . . . 0.0 110.078 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -41.85 -42.9 2.83 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.342 -0.849 . . . . 0.0 109.881 179.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.12 -33.33 74.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.35 -0.844 . . . . 0.0 109.781 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' THR . 3.2 ttp180 -66.78 -43.27 84.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.227 -0.921 . . . . 0.0 109.765 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.78 -41.13 75.53 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.327 -0.858 . . . . 0.0 110.012 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -62.77 -53.02 60.65 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 110.144 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -62.46 -53.2 58.4 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.405 -0.809 . . . . 0.0 110.116 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 1.3 mmt85 -49.79 -48.86 50.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.208 -0.933 . . . . 0.0 110.164 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 t -61.52 -45.03 95.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.331 -0.856 . . . . 0.0 110.159 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.01 -24.32 65.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 110.212 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.449 ' OG1' ' HA ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -86.91 -23.52 25.14 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.207 -0.933 . . . . 0.0 110.236 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -76.73 -73.03 0.31 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.149 -0.97 . . . . 0.0 110.209 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -116.51 -24.89 7.64 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.263 -0.898 . . . . 0.0 110.224 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.857 -1.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.402 ' O ' ' OG ' ' A' ' 1' ' ' SER . 3.8 p . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.235 0.54 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 3' ' ' THR . . . 173.61 96.86 0.1 Allowed Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 2' ' ' GLY . 20.7 p -42.74 -40.87 2.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.3 -1.117 . . . . 0.0 110.204 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 tt -65.9 -54.81 21.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.291 -0.881 . . . . 0.0 110.19 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -50.23 -55.96 13.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.135 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -53.2 -63.06 1.27 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.251 -0.906 . . . . 0.0 110.172 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -41.81 -42.26 2.61 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.868 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -67.83 -34.18 76.22 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.366 -0.833 . . . . 0.0 109.624 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -65.91 -44.43 85.21 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.277 -0.889 . . . . 0.0 109.712 179.591 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -40.23 81.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.37 -0.831 . . . . 0.0 109.939 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -61.65 -47.93 83.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.278 -0.889 . . . . 0.0 110.023 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.02 -47.5 77.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.228 -0.92 . . . . 0.0 110.131 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -57.12 -47.37 81.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 110.157 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -41.08 97.61 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.233 -0.917 . . . . 0.0 110.207 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.47 -25.4 61.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.295 -0.878 . . . . 0.0 110.29 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.1 m -90.68 -25.02 20.27 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.258 -0.901 . . . . 0.0 110.222 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -71.87 -59.9 2.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.326 -0.859 . . . . 0.0 110.195 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.91 139.7 46.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.221 -0.925 . . . . 0.0 110.228 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.868 -1.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.492 ' OG ' ' N ' ' A' ' 2' ' ' GLY . 25.0 p . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.293 0.568 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.492 ' N ' ' OG ' ' A' ' 1' ' ' SER . . . 111.15 -165.26 12.13 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 4' ' ' LEU . 1.3 p -138.16 -81.22 0.34 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.177 -1.19 . . . . 0.0 110.19 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 3' ' ' THR . 0.3 OUTLIER -43.15 -50.94 6.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.314 -0.866 . . . . 0.0 110.258 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -49.9 -61.92 1.86 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.191 -0.943 . . . . 0.0 110.153 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -50.9 -63.21 1.2 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.227 -0.92 . . . . 0.0 110.049 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 5.6 m-85 -42.15 -41.48 2.68 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.37 -0.832 . . . . 0.0 109.868 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.442 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -69.16 -32.18 71.34 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.859 179.647 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.5 tpt85 -69.67 -49.94 48.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.888 . . . . 0.0 109.944 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.66 -32.71 72.74 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.277 -0.89 . . . . 0.0 110.024 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 1.5 m-85 -70.15 -49.86 46.3 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.233 -0.917 . . . . 0.0 110.117 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -65.28 -44.29 88.47 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.26 -0.9 . . . . 0.0 110.082 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 -64.68 -40.36 95.27 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.281 -0.887 . . . . 0.0 110.194 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.0 t -71.29 -39.02 71.75 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.304 -0.873 . . . . 0.0 110.108 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.5 m-85 -77.78 -24.45 48.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.225 -0.922 . . . . 0.0 110.239 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -70.85 -44.18 66.97 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.265 -0.897 . . . . 0.0 110.228 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -82.82 0.15 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.225 -0.922 . . . . 0.0 110.191 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.8 148.98 34.5 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 110.219 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.76 -1.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.255 0.55 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -126.03 -82.58 0.46 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -86.45 -61.36 1.76 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.219 -1.165 . . . . 0.0 110.238 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.529 ' CB ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER 71.85 -0.52 3.16 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.389 -0.819 . . . . 0.0 110.539 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.29 -68.83 0.19 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.114 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -50.78 -58.58 5.57 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.251 -0.906 . . . . 0.0 109.975 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.502 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -42.92 -40.13 2.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.298 -0.876 . . . . 0.0 109.79 179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -72.22 -33.63 67.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.371 -0.831 . . . . 0.0 109.879 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' THR . 27.5 ttt85 -68.09 -47.67 67.6 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.272 -0.892 . . . . 0.0 109.918 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.01 -35.48 69.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.287 -0.883 . . . . 0.0 110.047 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.52 ' O ' ' CB ' ' A' ' 15' ' ' PHE . 4.9 m-85 -65.92 -44.58 84.76 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.244 -0.91 . . . . 0.0 110.111 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -71.78 -47.79 51.09 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.179 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -38.72 90.68 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.213 -0.929 . . . . 0.0 110.175 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.0 m -81.0 -37.35 29.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.211 -0.931 . . . . 0.0 110.199 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.52 ' CB ' ' O ' ' A' ' 11' ' ' PHE . 74.1 t80 -77.52 -15.41 59.29 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.23 -0.919 . . . . 0.0 110.219 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -82.46 -33.55 28.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.289 -0.882 . . . . 0.0 110.22 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.9 tm0? -107.55 -13.08 15.15 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.216 -0.928 . . . . 0.0 110.222 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -160.15 85.11 0.73 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.318 -0.864 . . . . 0.0 110.231 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.239 0.542 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.466 ' O ' ' HB2' ' A' ' 5' ' ' SER . . . -157.15 89.32 0.11 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.31 -46.57 9.3 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.254 -1.145 . . . . 0.0 110.203 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 4' ' ' LEU . 25.1 mt -45.46 -49.58 13.33 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.242 -0.911 . . . . 0.0 110.151 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' A' ' 2' ' ' GLY . 3.1 m -49.17 -61.51 2.04 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.269 -0.894 . . . . 0.0 110.103 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -52.65 -62.89 1.35 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 110.126 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -42.07 -41.61 2.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.406 -0.809 . . . . 0.0 109.922 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 80.9 t80 -69.75 -32.51 71.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.326 -0.859 . . . . 0.0 109.901 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -67.92 -46.01 72.74 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.322 -0.861 . . . . 0.0 109.832 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.34 -35.03 71.04 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.284 -0.885 . . . . 0.0 110.037 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.478 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -68.09 -45.84 72.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.274 -0.892 . . . . 0.0 110.104 179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -69.46 -45.99 67.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.297 -0.877 . . . . 0.0 110.107 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.57 -43.97 96.71 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.319 -0.863 . . . . 0.0 110.162 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.1 m -69.33 -38.58 78.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.245 -0.91 . . . . 0.0 110.211 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 5.0 t80 -69.6 -35.17 75.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.263 -0.898 . . . . 0.0 110.188 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' GLN . 54.4 m -57.56 -81.92 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -0.905 . . . . 0.0 110.161 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' THR . 0.0 OUTLIER -44.16 -64.8 0.6 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.227 -0.921 . . . . 0.0 110.208 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.28 115.99 28.66 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.308 -0.87 . . . . 0.0 110.192 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.831 -1.793 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.161 0.505 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.66 -171.79 42.46 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.84 -20.82 64.31 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.251 -1.147 . . . . 0.0 110.257 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 4' ' ' LEU . 13.1 tp -63.3 -51.59 65.44 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.294 -0.879 . . . . 0.0 110.168 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -49.97 -59.38 3.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -51.82 -63.17 1.22 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.22 -0.925 . . . . 0.0 110.103 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -41.68 -41.05 2.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.402 -0.811 . . . . 0.0 110.012 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -32.63 70.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.302 -0.874 . . . . 0.0 109.904 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.58 -49.58 58.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 109.953 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.9 OUTLIER -68.37 -37.05 80.08 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -0.898 . . . . 0.0 110.105 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 17.9 t80 -64.69 -47.27 79.0 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.196 -0.94 . . . . 0.0 110.177 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -67.64 -53.09 30.77 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.245 -0.909 . . . . 0.0 110.27 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' CG ' ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.81 -25.32 68.19 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.258 -0.901 . . . . 0.0 110.248 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 11.0 t -77.13 -46.38 23.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 0.0 110.164 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.28 -36.15 76.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.276 -0.89 . . . . 0.0 110.221 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.6 m -44.69 -46.99 10.62 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.269 -0.895 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -147.1 -73.46 0.21 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.247 -0.908 . . . . 0.0 110.202 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.21 11.93 0.82 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.304 -0.873 . . . . 0.0 110.183 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . 0.477 ' N ' ' HA ' ' A' ' 14' ' ' SER . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.884 -1.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.5 p . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.243 0.544 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.64 65.93 1.44 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.594 -1.402 . . . . 0.0 109.594 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p -100.2 -59.15 1.76 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.184 -1.186 . . . . 0.0 110.18 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 tp -49.44 -50.73 39.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.236 -0.915 . . . . 0.0 110.191 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 6' ' ' THR . 83.1 p -46.84 -59.25 3.19 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.292 -0.88 . . . . 0.0 110.096 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -53.96 -62.23 1.79 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.207 -0.933 . . . . 0.0 110.208 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.1 m-30 -41.99 -41.67 2.59 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.394 -0.816 . . . . 0.0 109.934 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -70.06 -33.09 71.5 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.369 -0.832 . . . . 0.0 109.834 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -66.5 -45.75 78.54 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.256 -0.903 . . . . 0.0 109.807 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 10' ' ' LEU . 9.8 tt -71.11 -37.34 72.35 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.367 -0.833 . . . . 0.0 109.978 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -51.58 56.08 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.23 -0.919 . . . . 0.0 110.037 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.432 ' O ' ' OG1' ' A' ' 16' ' ' THR . 7.5 t-20 -65.2 -41.67 94.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.234 -0.916 . . . . 0.0 110.084 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -48.09 83.19 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.268 -0.895 . . . . 0.0 110.139 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -66.57 -37.39 84.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.0 110.186 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.58 -47.8 83.86 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.315 -0.866 . . . . 0.0 110.228 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -53.58 -31.77 48.19 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.173 -0.955 . . . . 0.0 110.224 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -76.49 -65.29 0.95 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.934 . . . . 0.0 110.252 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.95 89.85 1.78 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 110.195 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.29 0.567 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.57 134.73 1.7 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -88.34 -36.15 16.79 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.23 -1.159 . . . . 0.0 110.256 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 3' ' ' THR . 0.3 OUTLIER -42.97 -52.64 5.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.316 -0.865 . . . . 0.0 110.122 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -48.09 -60.23 2.79 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.239 -0.913 . . . . 0.0 110.134 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -52.02 -64.19 0.89 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.312 -0.868 . . . . 0.0 110.128 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -41.71 -41.62 2.33 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 109.948 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 4.6 m-85 -69.35 -32.11 70.97 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.267 -0.895 . . . . 0.0 109.953 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -71.36 -46.04 61.41 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.939 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.73 -37.27 79.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 110.045 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 2.1 t80 -69.16 -45.27 70.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.271 -0.893 . . . . 0.0 110.104 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -65.64 -45.35 83.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 0.0 110.195 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.22 -42.15 96.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.341 -0.85 . . . . 0.0 110.201 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.0 m -64.12 -45.83 86.84 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.275 -0.891 . . . . 0.0 110.174 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.82 -28.57 65.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 110.234 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.8 m -84.11 -28.53 27.43 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 110.256 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -95.89 -9.99 29.95 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.206 -0.933 . . . . 0.0 110.164 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . 57.43 54.11 6.87 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.233 -0.917 . . . . 0.0 110.19 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.854 -1.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.168 0.509 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 124.23 -60.79 0.6 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -159.15 -57.95 0.07 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.244 -1.151 . . . . 0.0 110.236 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.752 HD23 ' CD1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 71.68 -0.13 3.28 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.342 -0.849 . . . . 0.0 110.503 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -56.03 -67.11 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.023 -1.048 . . . . 0.0 110.11 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.91 -59.29 4.0 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 0.0 110.067 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -42.38 -42.11 3.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.277 -0.89 . . . . 0.0 109.811 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.752 ' CD1' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -70.28 -33.76 71.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.365 -0.834 . . . . 0.0 109.833 179.526 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -68.32 -46.25 70.76 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.231 -0.918 . . . . 0.0 109.903 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.9 -38.7 79.76 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.34 -0.85 . . . . 0.0 110.017 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 7.9 t80 -65.02 -44.25 89.81 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.28 -0.887 . . . . 0.0 110.093 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.62 -48.01 67.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.315 -0.866 . . . . 0.0 110.118 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -38.03 82.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.212 -0.93 . . . . 0.0 110.156 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -69.99 -48.02 59.86 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.276 -0.89 . . . . 0.0 110.197 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -42.77 89.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.301 -0.874 . . . . 0.0 110.177 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.6 m -66.17 -19.14 65.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.242 -0.911 . . . . 0.0 110.178 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -86.38 -51.88 5.95 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.272 -0.892 . . . . 0.0 110.21 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.65 89.91 5.74 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.225 -0.922 . . . . 0.0 110.218 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.276 0.56 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.13 97.58 0.01 OUTLIER Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' A' ' 7' ' ' PHE . 15.5 m -110.88 -46.97 3.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -1.142 . . . . 0.0 110.193 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.24 -62.03 1.87 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.223 -0.923 . . . . 0.0 110.149 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 m -48.93 -60.01 3.11 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.32 -0.862 . . . . 0.0 110.208 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.75 -62.57 1.48 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.17 -0.957 . . . . 0.0 110.105 179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -42.15 -41.28 2.61 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.409 -0.807 . . . . 0.0 109.903 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -69.12 -32.97 72.73 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.364 -0.835 . . . . 0.0 109.832 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 6' ' ' THR . 14.2 ttt180 -68.9 -43.75 74.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.246 -0.909 . . . . 0.0 109.928 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 tp -70.96 -37.11 72.78 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.239 -0.913 . . . . 0.0 110.036 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -67.13 -44.13 80.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.305 -0.872 . . . . 0.0 110.009 179.78 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -69.09 -49.7 54.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.332 -0.855 . . . . 0.0 110.164 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.86 -46.7 87.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.274 -0.891 . . . . 0.0 110.228 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 18' ' ' ALA . 34.5 t -64.93 -41.91 95.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.226 -0.921 . . . . 0.0 110.29 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -61.18 -41.06 96.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.238 -0.914 . . . . 0.0 110.23 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.7 m -72.17 -24.83 61.49 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.283 -0.886 . . . . 0.0 110.228 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -101.13 -10.39 20.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.233 -0.917 . . . . 0.0 110.198 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 49.68 -172.84 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.156 -0.965 . . . . 0.0 110.163 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 2' ' ' GLY . 3.6 m . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.301 0.572 . . . . 0.0 110.187 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 1' ' ' SER . . . -55.58 -167.32 0.05 OUTLIER Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -96.09 -87.2 0.3 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.289 -1.124 . . . . 0.0 110.208 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 7' ' ' PHE . 0.1 OUTLIER 71.55 -0.29 3.2 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.322 -0.861 . . . . 0.0 110.601 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -56.12 -66.68 0.39 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.925 -1.11 . . . . 0.0 110.147 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -49.0 -61.16 2.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.282 -0.886 . . . . 0.0 110.109 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.529 ' HB3' HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -42.3 -41.14 2.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.331 -0.856 . . . . 0.0 109.907 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.508 ' HD2' HD12 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -70.47 -32.75 70.41 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.256 -0.902 . . . . 0.0 109.926 179.571 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -67.71 -46.16 73.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.302 -0.874 . . . . 0.0 109.911 179.722 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 14' ' ' SER . 0.6 OUTLIER -70.34 -39.29 74.8 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.32 -0.863 . . . . 0.0 109.99 179.781 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -64.21 -43.12 96.0 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.891 . . . . 0.0 110.1 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -69.82 -48.3 59.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.174 -0.954 . . . . 0.0 110.134 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' O ' ' CB ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -58.61 -42.14 87.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.18 -0.95 . . . . 0.0 110.2 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -69.27 -44.28 72.21 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 0.0 110.162 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.24 -43.93 88.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.249 -0.907 . . . . 0.0 110.149 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.9 m -81.79 -18.7 43.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.344 -0.847 . . . . 0.0 110.134 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.567 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 33.2 tt0 -87.88 -20.51 25.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.288 -0.882 . . . . 0.0 110.169 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . 61.51 117.42 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.256 -0.903 . . . . 0.0 110.229 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.885 -1.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.315 0.579 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.416 ' C ' ' OG1' ' A' ' 3' ' ' THR . . . -54.48 -68.88 1.44 Allowed Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.514 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -162.54 -61.76 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.234 -1.157 . . . . 0.0 110.227 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.514 ' CB ' ' O ' ' A' ' 3' ' ' THR . 0.2 OUTLIER 71.65 -0.44 3.16 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.32 -0.862 . . . . 0.0 110.574 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -55.8 -68.02 0.24 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.968 -1.082 . . . . 0.0 109.96 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -45.61 -58.94 3.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.22 -0.925 . . . . 0.0 109.721 179.772 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 24.7 m-85 -43.29 -40.97 3.77 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.315 -0.866 . . . . 0.0 109.628 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -33.82 72.72 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.418 -0.801 . . . . 0.0 109.891 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 6' ' ' THR . 25.3 ttp85 -67.87 -49.89 59.52 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.302 -0.874 . . . . 0.0 109.818 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 tp -66.18 -37.54 85.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.368 -0.832 . . . . 0.0 109.962 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -64.24 -45.27 88.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.268 -0.895 . . . . 0.0 110.05 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -66.1 -52.0 52.79 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.314 -0.866 . . . . 0.0 110.135 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -52.92 63.56 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -0.906 . . . . 0.0 110.183 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 17' ' ' GLN . 3.9 t -57.06 -42.23 80.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.888 . . . . 0.0 110.162 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -60.18 -47.42 86.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.273 -0.892 . . . . 0.0 110.133 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.6 m -72.07 -21.53 61.5 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.226 -0.921 . . . . 0.0 110.202 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.471 ' HB3' ' O ' ' A' ' 14' ' ' SER . 22.5 tp60 -62.95 -68.27 0.35 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.298 -0.876 . . . . 0.0 110.233 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.57 173.48 0.08 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.901 . . . . 0.0 110.181 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.4 t . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.219 0.533 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.91 69.47 1.23 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.528 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 2.6 m -88.15 -48.19 7.9 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.224 -1.162 . . . . 0.0 110.168 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 3' ' ' THR . 0.1 OUTLIER 71.89 -0.89 3.04 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.333 -0.854 . . . . 0.0 110.62 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -59.33 -70.06 0.17 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.013 -1.054 . . . . 0.0 110.156 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -51.08 -62.29 1.7 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.244 -0.91 . . . . 0.0 110.076 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' THR . 4.2 m-85 -41.84 -41.74 2.48 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.281 -0.887 . . . . 0.0 109.928 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -69.73 -32.76 71.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.914 . . . . 0.0 109.916 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -69.12 -51.63 36.49 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.216 -0.928 . . . . 0.0 109.869 179.75 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.454 ' O ' ' HB3' ' A' ' 14' ' ' SER . 0.1 OUTLIER -66.96 -33.21 75.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -0.903 . . . . 0.0 110.03 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.49 -50.41 31.76 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.294 -0.879 . . . . 0.0 110.116 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.705 ' O ' HG23 ' A' ' 16' ' ' THR . 56.8 t-20 -62.56 -40.76 97.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 110.067 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' O ' ' OG1' ' A' ' 16' ' ' THR . 21.2 mmm180 -66.31 -51.32 58.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.245 -0.909 . . . . 0.0 110.146 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -62.23 -30.48 71.13 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.193 -0.942 . . . . 0.0 110.098 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' THR . 40.5 t80 -72.01 -52.27 17.81 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.277 -0.889 . . . . 0.0 110.193 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 12' ' ' ASN . 40.8 p -43.81 -69.67 0.13 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.212 -0.93 . . . . 0.0 110.241 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.71 -85.47 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.194 -0.941 . . . . 0.0 110.204 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -119.1 -73.08 0.66 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.89 . . . . 0.0 110.168 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.919 -1.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.21 0.529 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -106.77 148.62 16.44 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.3 p -127.03 -40.96 1.83 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.2 -1.176 . . . . 0.0 110.208 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -48.15 -48.93 33.93 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.0 110.176 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -54.81 -65.41 0.58 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.232 -0.918 . . . . 0.0 110.23 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -50.07 -62.32 1.64 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.215 -0.928 . . . . 0.0 110.151 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 5.2 m-85 -41.8 -41.11 2.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.39 -0.819 . . . . 0.0 109.946 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.457 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -70.68 -32.61 69.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -0.877 . . . . 0.0 109.866 179.65 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 6' ' ' THR . 2.6 mmt180 -67.85 -46.4 71.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.259 -0.901 . . . . 0.0 109.86 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.32 -39.3 74.84 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.266 -0.896 . . . . 0.0 110.035 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 1.4 t80 -65.33 -46.09 81.69 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.217 -0.927 . . . . 0.0 110.056 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 5.8 t-20 -67.02 -44.27 80.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.208 -0.933 . . . . 0.0 110.081 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -60.39 -43.41 96.67 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.22 -0.925 . . . . 0.0 110.125 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -41.14 81.35 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.291 -0.881 . . . . 0.0 110.2 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' THR . 4.4 t80 -64.24 -37.44 87.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.287 -0.883 . . . . 0.0 110.202 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' PHE . 5.7 m -43.36 -27.41 0.25 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.269 -0.895 . . . . 0.0 110.206 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.651 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 2.6 mt-30 -131.79 -74.44 0.52 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.214 -0.929 . . . . 0.0 110.243 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . 173.37 132.84 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.301 -0.874 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.278 0.561 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.0 -164.55 13.76 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.1 p -130.64 -51.4 1.07 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.247 -1.149 . . . . 0.0 110.217 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -55.74 14.19 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.253 -0.904 . . . . 0.0 110.103 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.47 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 0.9 OUTLIER -49.94 -60.21 3.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.172 -0.955 . . . . 0.0 110.139 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -48.81 -62.09 1.7 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 110.006 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.0 m-85 -42.69 -40.88 2.93 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.34 -0.85 . . . . 0.0 109.773 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -68.85 -33.13 73.3 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.375 -0.828 . . . . 0.0 109.864 179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 6' ' ' THR . 6.2 mtt180 -68.49 -45.87 71.22 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.258 -0.901 . . . . 0.0 109.884 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -36.94 78.02 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.365 -0.834 . . . . 0.0 109.996 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.418 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -65.91 -52.5 49.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.321 -0.862 . . . . 0.0 110.163 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.447 ' O ' ' OG1' ' A' ' 16' ' ' THR . 16.1 t-20 -63.41 -49.4 73.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.262 -0.899 . . . . 0.0 110.184 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HA ' ' OG1' ' A' ' 16' ' ' THR . 10.7 ttp180 -57.54 -39.46 76.68 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.247 -0.908 . . . . 0.0 110.203 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.7 m -66.68 -48.56 68.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.278 -0.888 . . . . 0.0 110.136 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.442 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 4.8 t80 -64.43 -27.81 69.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.254 -0.904 . . . . 0.0 110.221 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -78.89 -60.7 2.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.176 -0.952 . . . . 0.0 110.29 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 16' ' ' THR . 3.0 mm-40 -42.82 -62.68 0.95 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.327 -0.858 . . . . 0.0 110.223 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.51 66.36 1.16 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.284 -0.885 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.875 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.22 0.533 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.53 83.38 0.16 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -120.37 -77.8 0.58 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.387 -1.066 . . . . 0.0 110.239 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 3' ' ' THR . 9.0 mt 67.12 3.32 3.12 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.372 -0.83 . . . . 0.0 110.676 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 p -58.42 -68.77 0.22 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.922 -1.111 . . . . 0.0 110.068 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -50.37 -60.82 2.61 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.278 -0.889 . . . . 0.0 109.972 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 65.5 m-85 -42.04 -41.98 2.74 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.319 -0.863 . . . . 0.0 109.906 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.432 ' CE1' ' HB3' ' A' ' 4' ' ' LEU . 3.6 m-85 -70.52 -32.53 70.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.882 . . . . 0.0 109.965 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 1.4 ttm180 -70.07 -41.55 73.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 110.021 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.54 -38.75 65.16 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.387 -0.821 . . . . 0.0 110.049 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.451 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.4 OUTLIER -67.73 -45.93 73.61 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.25 -0.906 . . . . 0.0 110.121 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -69.96 -47.01 63.98 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.253 -0.904 . . . . 0.0 110.083 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -62.28 -42.56 99.45 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.321 -0.862 . . . . 0.0 110.149 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' ALA . 86.2 p -68.48 -40.92 80.77 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.244 -0.91 . . . . 0.0 110.194 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 1.3 m-85 -63.27 -42.57 99.15 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.339 -0.851 . . . . 0.0 110.201 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.3 p -62.99 -24.14 67.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.26 -0.9 . . . . 0.0 110.25 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.533 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 45.6 tt0 -106.8 -11.8 15.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.304 -0.872 . . . . 0.0 110.202 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . 59.54 66.81 0.96 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.306 -0.871 . . . . 0.0 110.228 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.904 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.238 0.542 . . . . 0.0 110.201 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.73 50.94 1.54 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.529 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -55.82 -65.13 0.65 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.243 -1.151 . . . . 0.0 110.232 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.587 HD13 ' HB2' ' A' ' 7' ' ' PHE . 0.2 OUTLIER 71.56 -0.28 3.21 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.377 -0.827 . . . . 0.0 110.543 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -68.4 0.23 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.977 -1.077 . . . . 0.0 110.128 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -49.44 -59.22 3.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.206 -0.934 . . . . 0.0 109.96 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.587 ' HB2' HD13 ' A' ' 4' ' ' LEU . 45.8 m-85 -42.13 -43.46 3.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.334 -0.854 . . . . 0.0 109.894 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -69.15 -33.55 73.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.819 . . . . 0.0 109.965 179.573 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -67.61 -47.97 68.16 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.21 -0.931 . . . . 0.0 109.852 179.709 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 14' ' ' SER . 0.2 OUTLIER -67.0 -39.0 87.01 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.302 -0.874 . . . . 0.0 109.976 179.774 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -62.98 -51.48 66.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.25 -0.906 . . . . 0.0 110.02 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -61.48 -51.51 68.36 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.252 -0.905 . . . . 0.0 110.099 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -57.0 -54.64 44.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.312 -0.867 . . . . 0.0 110.16 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.453 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 1.4 m -51.86 -47.0 64.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.234 -0.916 . . . . 0.0 110.215 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -58.1 -46.22 85.89 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.261 -0.899 . . . . 0.0 110.117 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.1 m -51.63 -37.8 51.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.197 -0.939 . . . . 0.0 110.178 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.615 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 11.1 mm-40 -75.13 -74.56 0.2 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.272 -0.893 . . . . 0.0 110.141 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . 63.56 165.75 0.13 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.255 -0.903 . . . . 0.0 110.172 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.785 -1.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.192 0.52 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.08 -106.43 0.75 Allowed Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -157.59 -80.46 0.07 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.209 -1.171 . . . . 0.0 110.247 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 3' ' ' THR . 17.9 mt 66.17 3.85 2.88 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.394 -0.816 . . . . 0.0 110.692 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -58.67 -65.45 0.66 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.94 -1.1 . . . . 0.0 110.01 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -51.12 -60.53 3.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.234 -0.916 . . . . 0.0 109.979 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 6' ' ' THR . 2.9 m-85 -41.94 -43.98 3.29 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.407 -0.808 . . . . 0.0 109.866 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.444 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.6 OUTLIER -67.84 -33.69 75.25 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.333 -0.855 . . . . 0.0 109.826 179.514 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -70.46 -43.8 69.07 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.338 -0.851 . . . . 0.0 109.773 179.78 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -38.75 84.48 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.317 -0.864 . . . . 0.0 109.922 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -46.22 72.15 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.886 . . . . 0.0 110.081 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 8' ' ' PHE . 1.2 t-20 -63.16 -51.22 67.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.329 -0.857 . . . . 0.0 110.145 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.34 -49.98 75.26 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.2 -0.938 . . . . 0.0 110.114 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 18' ' ' ALA . 60.2 p -60.4 -34.99 74.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 110.139 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -50.53 63.43 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.207 -0.933 . . . . 0.0 110.14 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -34.62 74.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.217 -0.927 . . . . 0.0 110.167 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.642 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.1 tt0 -95.74 -9.47 31.72 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.347 -0.846 . . . . 0.0 110.177 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . 65.06 91.93 0.08 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.265 -0.897 . . . . 0.0 110.172 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.801 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.227 0.537 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.03 56.09 0.01 OUTLIER Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -144.86 -80.5 0.17 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.241 -1.152 . . . . 0.0 110.215 -179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' A' ' 3' ' ' THR . 1.4 tp 71.47 -0.0 3.3 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.268 -0.895 . . . . 0.0 110.541 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 6' ' ' THR . 98.8 p -56.55 -67.8 0.27 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.994 -1.066 . . . . 0.0 110.147 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -48.35 -60.79 2.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.178 -0.951 . . . . 0.0 109.977 -180.0 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' THR . 44.1 m-85 -41.84 -43.17 2.91 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.409 -0.807 . . . . 0.0 109.953 179.871 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -69.1 -33.05 72.89 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.347 -0.845 . . . . 0.0 109.931 179.654 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.01 -49.45 61.45 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 110.017 179.788 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 tp -67.51 -36.92 82.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.32 -0.862 . . . . 0.0 109.988 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 12.9 t80 -64.34 -51.26 64.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.201 -0.937 . . . . 0.0 110.054 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -63.52 -51.73 64.24 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.263 -0.898 . . . . 0.0 110.066 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.22 -39.05 78.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.302 -0.874 . . . . 0.0 110.128 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -64.88 -47.31 78.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 110.117 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.19 -39.36 92.46 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 110.156 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.5 p -78.44 -26.48 46.26 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.195 -0.941 . . . . 0.0 110.157 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -64.7 -46.17 83.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 110.182 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.55 -165.97 0.59 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.292 -0.88 . . . . 0.0 110.167 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.23 0.538 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.5 95.02 0.51 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 m -130.12 -64.71 0.85 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.295 -1.12 . . . . 0.0 110.157 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 9.7 mp -45.7 -50.01 14.08 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.294 -0.879 . . . . 0.0 110.144 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.6 -61.03 2.54 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.265 -0.897 . . . . 0.0 110.135 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -51.18 -62.51 1.57 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.227 -0.921 . . . . 0.0 110.185 179.938 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.472 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 1.3 m-30 -41.72 -41.96 2.44 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.399 -0.813 . . . . 0.0 109.891 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -69.3 -33.05 72.58 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.33 -0.856 . . . . 0.0 109.836 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 6' ' ' THR . 10.6 tpt180 -67.47 -49.37 63.9 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.899 . . . . 0.0 109.794 179.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -35.22 78.42 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.335 -0.853 . . . . 0.0 109.915 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.472 ' HB2' ' O ' ' A' ' 7' ' ' PHE . 4.0 t80 -68.05 -46.32 71.42 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.219 -0.925 . . . . 0.0 109.935 179.788 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.01 -46.45 81.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.286 -0.884 . . . . 0.0 110.024 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -42.43 98.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.348 -0.845 . . . . 0.0 110.104 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.9 p -70.27 -31.35 68.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.308 -0.87 . . . . 0.0 110.146 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -70.75 -42.56 70.29 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.302 -0.874 . . . . 0.0 110.201 179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' PHE . 2.4 m -42.98 -26.76 0.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.228 -0.92 . . . . 0.0 110.188 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' PHE . 71.6 mt-30 -109.04 -69.24 0.87 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.233 -0.917 . . . . 0.0 110.236 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -172.47 -145.85 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.289 -0.882 . . . . 0.0 110.184 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_