data_2l24_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 2l24 _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 ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.497 0.189 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.39 -19.31 1.17 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.53 -13.45 41.28 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.569 0.806 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.494 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.5 OUTLIER -74.45 -43.54 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.94 -23.55 48.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.43 -37.46 47.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.538 ' CE1' HG13 ' A' ' 12' ' ' ILE . 6.6 t80 -86.66 -22.71 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 4.4 mm -79.84 -31.99 13.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -87.62 -33.43 18.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -73.32 -31.1 63.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.538 HG13 ' CE1' ' A' ' 8' ' ' PHE . 5.6 mm -85.11 -36.09 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.3 m0 . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.546 0.212 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.24 -19.01 2.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.63 -12.58 47.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -74.76 -43.19 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.45 -23.05 43.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.58 -37.39 46.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.155 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.509 ' CE1' HG13 ' A' ' 12' ' ' ILE . 9.7 t80 -87.56 -23.42 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.559 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 4.1 mm -79.03 -32.26 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -88.19 -34.23 17.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -71.77 -30.97 66.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.509 HG13 ' CE1' ' A' ' 8' ' ' PHE . 11.0 mm -86.09 -36.36 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 5.9 m95 . . . . . 0 C--N 1.326 -0.429 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.565 0.221 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.46 -19.34 1.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.77 -14.01 39.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.492 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -74.3 -43.57 49.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.45 -23.36 50.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.77 45.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.556 ' CE1' HG13 ' A' ' 12' ' ' ILE . 6.4 t80 -85.98 -22.59 27.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 0.746 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.4 mm -80.27 -31.65 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -87.42 -32.99 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -74.09 -31.33 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 8.8 mm -84.66 -35.58 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 12' ' ' ILE . 31.2 p-90 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.472 0.177 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.55 -19.07 2.61 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.48 -12.71 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.496 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -74.55 -43.29 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.37 -23.12 43.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.362 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.48 -37.53 46.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.544 ' CE1' HG13 ' A' ' 12' ' ' ILE . 11.5 t80 -87.66 -23.1 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 4.4 mm -79.14 -32.34 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -88.31 -34.11 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.23 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -71.74 -31.17 66.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.544 HG13 ' CE1' ' A' ' 8' ' ' PHE . 3.7 mm -85.98 -36.66 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.533 ' O ' ' CD2' ' A' ' 13' ' ' TRP . 51.3 p-90 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 107.997 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 2' ' ' PHE . 49.5 p90 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.515 0.198 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.39 -19.23 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.87 -13.15 42.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.494 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -74.37 -43.34 49.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.79 -23.34 45.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . -74.29 -37.37 48.27 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.499 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 5.2 t80 -87.4 -22.98 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.791 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.3 mm -79.06 -32.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -34.02 17.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 7' ' ' GLY . 72.7 m-20 -71.85 -31.16 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.7 mm -85.76 -36.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.517 ' O ' ' CD2' ' A' ' 13' ' ' TRP . 46.8 p-90 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 107.965 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.544 0.211 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.66 -19.47 1.47 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -12.78 44.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.95 -43.39 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.69 -23.18 45.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.59 -37.89 45.12 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.102 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.55 ' CE1' HG13 ' A' ' 12' ' ' ILE . 8.6 t80 -86.78 -22.95 25.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.545 ' O ' ' CG ' ' A' ' 13' ' ' TRP . 3.4 mm -79.56 -32.15 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.61 -33.7 18.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -72.9 -31.0 64.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.55 HG13 ' CE1' ' A' ' 8' ' ' PHE . 5.4 mm -85.3 -36.01 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 20.6 m0 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.468 0.175 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.07 -20.2 1.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.585 1.178 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.42 -14.34 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.493 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -73.84 -43.46 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.48 -23.53 50.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.34 -37.36 47.95 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.492 1.12 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.497 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 3.5 t80 -86.53 -22.62 26.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.5 mm -79.74 -31.85 14.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -87.71 -33.76 18.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -72.99 -31.13 64.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.6 mm -84.87 -36.68 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.508 ' O ' ' CG ' ' A' ' 13' ' ' TRP . 41.0 p-90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.509 0.195 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.2 -19.02 1.19 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.56 -13.31 40.33 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.44 0.729 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.44 HG22 ' CD1' ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.25 -43.51 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.79 46.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 11' ' ' ASN . . . -74.58 -37.43 46.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.501 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 3.1 t80 -87.38 -22.93 24.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.588 0.817 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.44 ' CD1' HG22 ' A' ' 5' ' ' ILE . 60.6 mt -79.3 -32.72 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.8 -33.82 18.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 4.3 m-20 -72.1 -31.19 65.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.588 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 11.1 mm -85.59 -35.98 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 12' ' ' ILE . 31.9 p-90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 107.957 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 2' ' ' PHE . 2.6 p90 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.477 0.18 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.14 -18.97 1.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.33 -13.6 40.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.447 HG22 ' CD1' ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.25 -43.74 49.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.9 -23.24 48.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.36 46.55 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.501 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 1.8 t80 -86.77 -22.67 25.78 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.42 0.718 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.447 ' CD1' HG22 ' A' ' 5' ' ' ILE . 63.3 mt -79.64 -32.73 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -87.29 -33.4 19.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.594 1.184 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -72.99 -31.21 64.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.54 HG23 ' CD1' ' A' ' 13' ' ' TRP . 6.2 mm -85.15 -35.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.54 ' CD1' HG23 ' A' ' 12' ' ' ILE . 72.3 m95 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 108.072 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.2 t80 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.554 0.216 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.7 -21.33 0.8 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.07 -13.09 44.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.59 0.817 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.496 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -74.29 -43.38 50.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.0 -23.16 44.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.57 -37.26 46.76 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.5 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 7.0 t80 -87.5 -23.13 24.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 0.0 111.071 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.6 mm -79.11 -32.27 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -34.25 17.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -71.76 -31.09 66.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.6 mm -85.79 -36.86 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.494 ' O ' ' CD2' ' A' ' 13' ' ' TRP . 46.6 p-90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 108.013 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 41.4 mm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.53 106.42 14.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.39 -19.31 1.17 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.53 -13.45 41.28 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.569 0.806 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.494 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.5 OUTLIER -74.45 -43.54 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.94 -23.55 48.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.43 -37.46 47.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.538 ' CE1' HG13 ' A' ' 12' ' ' ILE . 6.6 t80 -86.66 -22.71 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 4.4 mm -79.84 -31.99 13.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -87.62 -33.43 18.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -73.32 -31.1 63.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.538 HG13 ' CE1' ' A' ' 8' ' ' PHE . 5.6 mm -85.11 -36.09 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -120.83 90.06 3.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 5.4 tt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.13 99.87 3.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.24 -19.01 2.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.63 -12.58 47.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -74.76 -43.19 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.45 -23.05 43.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.58 -37.39 46.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.155 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.509 ' CE1' HG13 ' A' ' 12' ' ' ILE . 9.7 t80 -87.56 -23.42 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.559 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 4.1 mm -79.03 -32.26 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -88.19 -34.23 17.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -71.77 -30.97 66.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.509 HG13 ' CE1' ' A' ' 8' ' ' PHE . 11.0 mm -86.09 -36.36 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 5.9 m95 -96.65 80.71 3.11 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 23.7 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -108.83 94.78 5.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.46 -19.34 1.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.77 -14.01 39.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.492 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -74.3 -43.57 49.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.45 -23.36 50.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.77 45.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.556 ' CE1' HG13 ' A' ' 12' ' ' ILE . 6.4 t80 -85.98 -22.59 27.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 0.746 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.4 mm -80.27 -31.65 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -87.42 -32.99 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -74.09 -31.33 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 8.8 mm -84.66 -35.58 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 12' ' ' ILE . 31.2 p-90 44.57 -165.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 11.5 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.96 102.87 8.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 111.053 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.55 -19.07 2.61 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.48 -12.71 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.496 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -74.55 -43.29 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.37 -23.12 43.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.362 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.48 -37.53 46.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.544 ' CE1' HG13 ' A' ' 12' ' ' ILE . 11.5 t80 -87.66 -23.1 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 4.4 mm -79.14 -32.34 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -88.31 -34.11 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.23 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -71.74 -31.17 66.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.544 HG13 ' CE1' ' A' ' 8' ' ' PHE . 3.7 mm -85.98 -36.66 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.533 ' O ' ' CD2' ' A' ' 13' ' ' TRP . 51.3 p-90 -159.58 98.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 107.997 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 21.8 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 2' ' ' PHE . 49.5 p90 -44.99 107.76 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.39 -19.23 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.87 -13.15 42.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.494 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -74.37 -43.34 49.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.79 -23.34 45.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . -74.29 -37.37 48.27 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.499 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 5.2 t80 -87.4 -22.98 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.791 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.3 mm -79.06 -32.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -34.02 17.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 7' ' ' GLY . 72.7 m-20 -71.85 -31.16 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.7 mm -85.76 -36.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.517 ' O ' ' CD2' ' A' ' 13' ' ' TRP . 46.8 p-90 -160.88 96.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 107.965 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.8 t80 52.04 80.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.66 -19.47 1.47 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -12.78 44.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.95 -43.39 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.69 -23.18 45.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.59 -37.89 45.12 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.102 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.55 ' CE1' HG13 ' A' ' 12' ' ' ILE . 8.6 t80 -86.78 -22.95 25.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.545 ' O ' ' CG ' ' A' ' 13' ' ' TRP . 3.4 mm -79.56 -32.15 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.61 -33.7 18.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -72.9 -31.0 64.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.55 HG13 ' CE1' ' A' ' 8' ' ' PHE . 5.4 mm -85.3 -36.01 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 20.6 m0 -77.46 78.67 3.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -119.21 90.16 3.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.07 -20.2 1.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.585 1.178 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.42 -14.34 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.493 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -73.84 -43.46 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.48 -23.53 50.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.34 -37.36 47.95 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.492 1.12 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.497 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 3.5 t80 -86.53 -22.62 26.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.5 mm -79.74 -31.85 14.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -87.71 -33.76 18.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -72.99 -31.13 64.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.6 mm -84.87 -36.68 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.508 ' O ' ' CG ' ' A' ' 13' ' ' TRP . 41.0 p-90 -161.81 95.33 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 6.9 tp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.3 t80 49.15 89.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.2 -19.02 1.19 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.56 -13.31 40.33 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.44 0.729 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.44 HG22 ' CD1' ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.25 -43.51 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.79 46.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 11' ' ' ASN . . . -74.58 -37.43 46.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.501 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 3.1 t80 -87.38 -22.93 24.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.588 0.817 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.44 ' CD1' HG22 ' A' ' 5' ' ' ILE . 60.6 mt -79.3 -32.72 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.8 -33.82 18.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 4.3 m-20 -72.1 -31.19 65.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.588 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 11.1 mm -85.59 -35.98 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 12' ' ' ILE . 31.9 p-90 44.6 -165.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 107.957 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 19.9 mm . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 2' ' ' PHE . 2.6 p90 -145.67 95.98 2.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.604 1.19 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.14 -18.97 1.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.33 -13.6 40.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.447 HG22 ' CD1' ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.25 -43.74 49.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.9 -23.24 48.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.36 46.55 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.501 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 1.8 t80 -86.77 -22.67 25.78 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.42 0.718 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.447 ' CD1' HG22 ' A' ' 5' ' ' ILE . 63.3 mt -79.64 -32.73 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -87.29 -33.4 19.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.594 1.184 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -72.99 -31.21 64.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.54 HG23 ' CD1' ' A' ' 13' ' ' TRP . 6.2 mm -85.15 -35.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.54 ' CD1' HG23 ' A' ' 12' ' ' ILE . 72.3 m95 -121.59 -78.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 108.072 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.6 pp . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -97.66 63.36 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.7 -21.33 0.8 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.07 -13.09 44.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.59 0.817 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.496 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -74.29 -43.38 50.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.0 -23.16 44.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.57 -37.26 46.76 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.5 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 7.0 t80 -87.5 -23.13 24.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 0.0 111.071 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.6 mm -79.11 -32.27 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -34.25 17.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -71.76 -31.09 66.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.6 mm -85.79 -36.86 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.494 ' O ' ' CD2' ' A' ' 13' ' ' TRP . 46.6 p-90 -160.55 97.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 108.013 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.497 0.189 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.39 -19.31 1.17 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.53 -13.45 41.28 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.569 0.806 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.494 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.5 OUTLIER -74.45 -43.54 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.94 -23.55 48.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.43 -37.46 47.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.537 ' CE1' HG13 ' A' ' 12' ' ' ILE . 6.6 t80 -86.66 -22.71 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 4.4 mm -79.84 -31.99 13.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -87.62 -33.43 18.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -73.32 -31.1 63.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.537 HG13 ' CE1' ' A' ' 8' ' ' PHE . 5.6 mm -85.11 -36.09 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.3 m0 . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.546 0.212 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.24 -19.01 2.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.63 -12.58 47.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -74.76 -43.19 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.45 -23.05 43.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.58 -37.39 46.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.155 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.51 ' CE1' HG13 ' A' ' 12' ' ' ILE . 9.7 t80 -87.56 -23.42 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.559 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 4.1 mm -79.03 -32.26 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -88.19 -34.23 17.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -71.77 -30.97 66.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.51 HG13 ' CE1' ' A' ' 8' ' ' PHE . 11.0 mm -86.09 -36.36 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 5.9 m95 . . . . . 0 C--N 1.326 -0.429 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.565 0.221 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.46 -19.34 1.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.77 -14.01 39.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.492 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -74.3 -43.57 49.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.45 -23.36 50.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.77 45.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.557 ' CE1' HG13 ' A' ' 12' ' ' ILE . 6.4 t80 -85.98 -22.59 27.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 0.746 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.4 mm -80.27 -31.65 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -87.42 -32.99 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -74.09 -31.33 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 8.8 mm -84.66 -35.58 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 12' ' ' ILE . 31.2 p-90 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.472 0.177 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.55 -19.07 2.61 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.48 -12.71 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.496 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -74.55 -43.29 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.37 -23.12 43.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.362 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.48 -37.53 46.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.543 ' CE1' HG13 ' A' ' 12' ' ' ILE . 11.5 t80 -87.66 -23.1 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 4.4 mm -79.14 -32.34 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -88.31 -34.11 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.23 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -71.74 -31.17 66.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.543 HG13 ' CE1' ' A' ' 8' ' ' PHE . 3.7 mm -85.98 -36.66 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.533 ' CD2' ' O ' ' A' ' 13' ' ' TRP . 51.3 p-90 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 107.997 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 2' ' ' PHE . 49.5 p90 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.515 0.198 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.39 -19.23 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.87 -13.15 42.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.494 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -74.37 -43.34 49.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.79 -23.34 45.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . -74.29 -37.37 48.27 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.499 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 5.2 t80 -87.4 -22.98 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.791 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.3 mm -79.06 -32.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -34.02 17.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 7' ' ' GLY . 72.7 m-20 -71.85 -31.16 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.7 mm -85.76 -36.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.517 ' CD2' ' O ' ' A' ' 13' ' ' TRP . 46.8 p-90 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 107.965 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.544 0.211 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.66 -19.47 1.47 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -12.78 44.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.95 -43.39 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.69 -23.18 45.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.59 -37.89 45.12 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.102 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.55 ' CE1' HG13 ' A' ' 12' ' ' ILE . 8.6 t80 -86.78 -22.95 25.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.545 ' O ' ' CG ' ' A' ' 13' ' ' TRP . 3.4 mm -79.56 -32.15 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.61 -33.7 18.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -72.9 -31.0 64.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.55 HG13 ' CE1' ' A' ' 8' ' ' PHE . 5.4 mm -85.3 -36.01 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 20.6 m0 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.468 0.175 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.07 -20.2 1.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.585 1.178 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.42 -14.34 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.493 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -73.84 -43.46 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.48 -23.53 50.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.34 -37.36 47.95 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.492 1.12 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.497 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 3.5 t80 -86.53 -22.62 26.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.5 mm -79.74 -31.85 14.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -87.71 -33.76 18.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -72.99 -31.13 64.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.6 mm -84.87 -36.68 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.508 ' CG ' ' O ' ' A' ' 13' ' ' TRP . 41.0 p-90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.509 0.195 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.2 -19.02 1.19 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.56 -13.31 40.33 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.44 0.729 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.538 HG23 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.25 -43.51 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.79 46.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 11' ' ' ASN . . . -74.58 -37.43 46.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.501 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 3.1 t80 -87.38 -22.93 24.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.588 0.817 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.538 HD12 HG23 ' A' ' 5' ' ' ILE . 60.6 mt -79.3 -32.72 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.8 -33.82 18.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 4.3 m-20 -72.1 -31.19 65.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.588 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 11.1 mm -85.59 -35.98 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 12' ' ' ILE . 31.9 p-90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 107.957 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.505 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 2.6 p90 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.477 0.18 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.14 -18.97 1.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.33 -13.6 40.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.508 HG23 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.25 -43.74 49.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.9 -23.24 48.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.36 46.55 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.501 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 1.8 t80 -86.77 -22.67 25.78 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.42 0.718 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.508 HD12 HG23 ' A' ' 5' ' ' ILE . 63.3 mt -79.64 -32.73 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -87.29 -33.4 19.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.594 1.184 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -72.99 -31.21 64.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 6.2 mm -85.15 -35.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.436 ' CD1' HG22 ' A' ' 12' ' ' ILE . 72.3 m95 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 108.072 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.2 t80 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.554 0.216 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.7 -21.33 0.8 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.07 -13.09 44.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.59 0.817 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.496 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -74.29 -43.38 50.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.0 -23.16 44.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.57 -37.26 46.76 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.5 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 7.0 t80 -87.5 -23.13 24.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 0.0 111.071 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.6 mm -79.11 -32.27 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -34.25 17.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -71.76 -31.09 66.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.6 mm -85.79 -36.86 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.494 ' CD2' ' O ' ' A' ' 13' ' ' TRP . 46.6 p-90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 108.013 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.534 HG22 ' O ' ' A' ' 1' ' ' ILE . 41.4 mm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.53 106.42 14.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.39 -19.31 1.17 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.53 -13.45 41.28 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.569 0.806 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.494 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.5 OUTLIER -74.45 -43.54 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.94 -23.55 48.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.43 -37.46 47.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.537 ' CE1' HG13 ' A' ' 12' ' ' ILE . 6.6 t80 -86.66 -22.71 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 4.4 mm -79.84 -31.99 13.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -87.62 -33.43 18.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -73.32 -31.1 63.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.537 HG13 ' CE1' ' A' ' 8' ' ' PHE . 5.6 mm -85.11 -36.09 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -120.83 90.06 3.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.459 HD11 ' HB2' ' A' ' 4' ' ' ALA . 5.4 tt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.13 99.87 3.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.24 -19.01 2.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.459 ' HB2' HD11 ' A' ' 1' ' ' ILE . . . -64.63 -12.58 47.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -74.76 -43.19 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.45 -23.05 43.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.58 -37.39 46.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.155 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.51 ' CE1' HG13 ' A' ' 12' ' ' ILE . 9.7 t80 -87.56 -23.42 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.559 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 4.1 mm -79.03 -32.26 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -88.19 -34.23 17.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -71.77 -30.97 66.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.51 HG13 ' CE1' ' A' ' 8' ' ' PHE . 11.0 mm -86.09 -36.36 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 5.9 m95 -96.65 80.71 3.11 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 23.7 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -108.83 94.78 5.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.46 -19.34 1.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.77 -14.01 39.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.492 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -74.3 -43.57 49.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.45 -23.36 50.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.77 45.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.557 ' CE1' HG13 ' A' ' 12' ' ' ILE . 6.4 t80 -85.98 -22.59 27.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 0.746 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.4 mm -80.27 -31.65 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -87.42 -32.99 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -74.09 -31.33 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 8.8 mm -84.66 -35.58 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 12' ' ' ILE . 31.2 p-90 44.57 -165.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 11.5 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.96 102.87 8.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 111.053 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.55 -19.07 2.61 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.48 -12.71 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.496 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -74.55 -43.29 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.37 -23.12 43.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.362 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.48 -37.53 46.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.543 ' CE1' HG13 ' A' ' 12' ' ' ILE . 11.5 t80 -87.66 -23.1 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 4.4 mm -79.14 -32.34 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -88.31 -34.11 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.23 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -71.74 -31.17 66.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.543 HG13 ' CE1' ' A' ' 8' ' ' PHE . 3.7 mm -85.98 -36.66 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.533 ' CD2' ' O ' ' A' ' 13' ' ' TRP . 51.3 p-90 -159.58 98.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 107.997 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 21.8 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 2' ' ' PHE . 49.5 p90 -44.99 107.76 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.39 -19.23 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.87 -13.15 42.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.494 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -74.37 -43.34 49.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.79 -23.34 45.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . -74.29 -37.37 48.27 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.499 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 5.2 t80 -87.4 -22.98 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.791 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.3 mm -79.06 -32.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -34.02 17.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 7' ' ' GLY . 72.7 m-20 -71.85 -31.16 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.7 mm -85.76 -36.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.517 ' CD2' ' O ' ' A' ' 13' ' ' TRP . 46.8 p-90 -160.88 96.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 107.965 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.8 t80 52.04 80.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.66 -19.47 1.47 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -12.78 44.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.95 -43.39 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.69 -23.18 45.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.59 -37.89 45.12 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.102 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.55 ' CE1' HG13 ' A' ' 12' ' ' ILE . 8.6 t80 -86.78 -22.95 25.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.545 ' O ' ' CG ' ' A' ' 13' ' ' TRP . 3.4 mm -79.56 -32.15 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.61 -33.7 18.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -72.9 -31.0 64.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.55 HG13 ' CE1' ' A' ' 8' ' ' PHE . 5.4 mm -85.3 -36.01 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 20.6 m0 -77.46 78.67 3.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.534 HG22 ' HD1' ' A' ' 2' ' ' PHE . 3.5 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.534 ' HD1' HG22 ' A' ' 1' ' ' ILE . 2.4 m-85 -119.21 90.16 3.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.07 -20.2 1.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.585 1.178 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.42 -14.34 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.493 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -73.84 -43.46 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.48 -23.53 50.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.34 -37.36 47.95 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.492 1.12 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.497 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 3.5 t80 -86.53 -22.62 26.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.5 mm -79.74 -31.85 14.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -87.71 -33.76 18.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -72.99 -31.13 64.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.6 mm -84.87 -36.68 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.508 ' CG ' ' O ' ' A' ' 13' ' ' TRP . 41.0 p-90 -161.81 95.33 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 6.9 tp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.3 t80 49.15 89.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.2 -19.02 1.19 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.56 -13.31 40.33 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.44 0.729 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.538 HG23 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.25 -43.51 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.79 46.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 11' ' ' ASN . . . -74.58 -37.43 46.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.501 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 3.1 t80 -87.38 -22.93 24.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.588 0.817 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.538 HD12 HG23 ' A' ' 5' ' ' ILE . 60.6 mt -79.3 -32.72 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.8 -33.82 18.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 4.3 m-20 -72.1 -31.19 65.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.588 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 11.1 mm -85.59 -35.98 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 12' ' ' ILE . 31.9 p-90 44.6 -165.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 107.957 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 19.9 mm . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.505 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 2.6 p90 -145.67 95.98 2.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.604 1.19 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.14 -18.97 1.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.33 -13.6 40.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.508 HG23 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.25 -43.74 49.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.9 -23.24 48.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.36 46.55 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.501 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 1.8 t80 -86.77 -22.67 25.78 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.42 0.718 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.508 HD12 HG23 ' A' ' 5' ' ' ILE . 63.3 mt -79.64 -32.73 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -87.29 -33.4 19.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.594 1.184 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -72.99 -31.21 64.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 6.2 mm -85.15 -35.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.436 ' CD1' HG22 ' A' ' 12' ' ' ILE . 72.3 m95 -121.59 -78.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 108.072 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.6 pp . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -97.66 63.36 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.7 -21.33 0.8 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.07 -13.09 44.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.59 0.817 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.496 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -74.29 -43.38 50.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.0 -23.16 44.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.57 -37.26 46.76 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.5 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 7.0 t80 -87.5 -23.13 24.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 0.0 111.071 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.6 mm -79.11 -32.27 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -34.25 17.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -71.76 -31.09 66.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.6 mm -85.79 -36.86 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.494 ' CD2' ' O ' ' A' ' 13' ' ' TRP . 46.6 p-90 -160.55 97.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 108.013 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.497 0.189 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.39 -19.31 1.17 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.53 -13.45 41.28 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.569 0.806 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.494 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.5 OUTLIER -74.45 -43.54 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.94 -23.55 48.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.43 -37.46 47.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.537 ' CE1' HG13 ' A' ' 12' ' ' ILE . 6.6 t80 -86.66 -22.71 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 4.4 mm -79.84 -31.99 13.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -87.62 -33.43 18.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -73.32 -31.1 63.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.537 HG13 ' CE1' ' A' ' 8' ' ' PHE . 5.6 mm -85.11 -36.09 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.3 m0 . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.546 0.212 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.24 -19.01 2.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.63 -12.58 47.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -74.76 -43.19 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.45 -23.05 43.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.58 -37.39 46.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.155 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.51 ' CE1' HG13 ' A' ' 12' ' ' ILE . 9.7 t80 -87.56 -23.42 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.559 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 4.1 mm -79.03 -32.26 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -88.19 -34.23 17.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -71.77 -30.97 66.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.51 HG13 ' CE1' ' A' ' 8' ' ' PHE . 11.0 mm -86.09 -36.36 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 5.9 m95 . . . . . 0 C--N 1.326 -0.429 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.565 0.221 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.46 -19.34 1.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.77 -14.01 39.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.492 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -74.3 -43.57 49.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.45 -23.36 50.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.77 45.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.557 ' CE1' HG13 ' A' ' 12' ' ' ILE . 6.4 t80 -85.98 -22.59 27.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 0.746 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.4 mm -80.27 -31.65 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -87.42 -32.99 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -74.09 -31.33 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 8.8 mm -84.66 -35.58 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 12' ' ' ILE . 31.2 p-90 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.472 0.177 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.55 -19.07 2.61 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.48 -12.71 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.496 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -74.55 -43.29 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.37 -23.12 43.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.362 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.48 -37.53 46.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.543 ' CE1' HG13 ' A' ' 12' ' ' ILE . 11.5 t80 -87.66 -23.1 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 4.4 mm -79.14 -32.34 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -88.31 -34.11 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.23 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -71.74 -31.17 66.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.543 HG13 ' CE1' ' A' ' 8' ' ' PHE . 3.7 mm -85.98 -36.66 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.533 ' O ' ' CD2' ' A' ' 13' ' ' TRP . 51.3 p-90 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 107.997 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 2' ' ' PHE . 49.5 p90 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.515 0.198 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.39 -19.23 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.87 -13.15 42.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.494 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -74.37 -43.34 49.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.79 -23.34 45.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . -74.29 -37.37 48.27 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.499 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 5.2 t80 -87.4 -22.98 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.791 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.3 mm -79.06 -32.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -34.02 17.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 7' ' ' GLY . 72.7 m-20 -71.85 -31.16 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.7 mm -85.76 -36.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.517 ' O ' ' CD2' ' A' ' 13' ' ' TRP . 46.8 p-90 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 107.965 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.544 0.211 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.66 -19.47 1.47 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -12.78 44.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.95 -43.39 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.69 -23.18 45.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.59 -37.89 45.12 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.102 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.55 ' CE1' HG13 ' A' ' 12' ' ' ILE . 8.6 t80 -86.78 -22.95 25.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.545 ' O ' ' CG ' ' A' ' 13' ' ' TRP . 3.4 mm -79.56 -32.15 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.61 -33.7 18.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -72.9 -31.0 64.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.55 HG13 ' CE1' ' A' ' 8' ' ' PHE . 5.4 mm -85.3 -36.01 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 20.6 m0 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.468 0.175 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.07 -20.2 1.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.585 1.178 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.42 -14.34 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.493 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -73.84 -43.46 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.48 -23.53 50.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.34 -37.36 47.95 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.492 1.12 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.497 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 3.5 t80 -86.53 -22.62 26.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.5 mm -79.74 -31.85 14.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -87.71 -33.76 18.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -72.99 -31.13 64.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.6 mm -84.87 -36.68 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.508 ' O ' ' CG ' ' A' ' 13' ' ' TRP . 41.0 p-90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.509 0.195 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.2 -19.02 1.19 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.56 -13.31 40.33 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.44 0.729 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.538 HG23 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.25 -43.51 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.79 46.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 11' ' ' ASN . . . -74.58 -37.43 46.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.501 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 3.1 t80 -87.38 -22.93 24.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.588 0.817 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.538 HD12 HG23 ' A' ' 5' ' ' ILE . 60.6 mt -79.3 -32.72 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.8 -33.82 18.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 4.3 m-20 -72.1 -31.19 65.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.588 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 11.1 mm -85.59 -35.98 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 12' ' ' ILE . 31.9 p-90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 107.957 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 2' ' ' PHE . 2.6 p90 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.477 0.18 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.14 -18.97 1.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.33 -13.6 40.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.508 HG23 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.25 -43.74 49.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.9 -23.24 48.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.36 46.55 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.501 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 1.8 t80 -86.77 -22.67 25.78 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.42 0.718 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.508 HD12 HG23 ' A' ' 5' ' ' ILE . 63.3 mt -79.64 -32.73 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -87.29 -33.4 19.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.594 1.184 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -72.99 -31.21 64.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 6.2 mm -85.15 -35.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.436 ' CD1' HG22 ' A' ' 12' ' ' ILE . 72.3 m95 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 108.072 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.2 t80 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.554 0.216 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.7 -21.33 0.8 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.07 -13.09 44.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.59 0.817 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.496 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -74.29 -43.38 50.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.0 -23.16 44.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.57 -37.26 46.76 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.5 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 7.0 t80 -87.5 -23.13 24.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 0.0 111.071 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.6 mm -79.11 -32.27 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -34.25 17.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -71.76 -31.09 66.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.6 mm -85.79 -36.86 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.494 ' O ' ' CD2' ' A' ' 13' ' ' TRP . 46.6 p-90 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 108.013 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.534 HG22 ' O ' ' A' ' 1' ' ' ILE . 41.4 mm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.53 106.42 14.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.39 -19.31 1.17 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.53 -13.45 41.28 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.569 0.806 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.494 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.5 OUTLIER -74.45 -43.54 48.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.94 -23.55 48.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.43 -37.46 47.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.537 ' CE1' HG13 ' A' ' 12' ' ' ILE . 6.6 t80 -86.66 -22.71 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 4.4 mm -79.84 -31.99 13.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -87.62 -33.43 18.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -73.32 -31.1 63.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.537 HG13 ' CE1' ' A' ' 8' ' ' PHE . 5.6 mm -85.11 -36.09 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -120.83 90.06 3.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.459 HD11 ' HB2' ' A' ' 4' ' ' ALA . 5.4 tt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -148.13 99.87 3.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.24 -19.01 2.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.459 ' HB2' HD11 ' A' ' 1' ' ' ILE . . . -64.63 -12.58 47.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -74.76 -43.19 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.45 -23.05 43.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.58 -37.39 46.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.155 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.51 ' CE1' HG13 ' A' ' 12' ' ' ILE . 9.7 t80 -87.56 -23.42 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.559 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 4.1 mm -79.03 -32.26 15.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -88.19 -34.23 17.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -71.77 -30.97 66.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.51 HG13 ' CE1' ' A' ' 8' ' ' PHE . 11.0 mm -86.09 -36.36 10.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CD1' ' O ' ' A' ' 9' ' ' ILE . 5.9 m95 -96.65 80.71 3.11 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 23.7 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -108.83 94.78 5.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.46 -19.34 1.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.453 1.095 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.77 -14.01 39.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.492 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -74.3 -43.57 49.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.45 -23.36 50.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.77 45.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.059 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.557 ' CE1' HG13 ' A' ' 12' ' ' ILE . 6.4 t80 -85.98 -22.59 27.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 0.746 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.4 mm -80.27 -31.65 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -87.42 -32.99 19.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -74.09 -31.33 62.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.594 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 8.8 mm -84.66 -35.58 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 12' ' ' ILE . 31.2 p-90 44.57 -165.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 11.5 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.96 102.87 8.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 111.053 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.55 -19.07 2.61 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.48 -12.71 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.496 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -74.55 -43.29 48.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.37 -23.12 43.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.125 . . . . 0.0 109.362 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.48 -37.53 46.69 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.543 ' CE1' HG13 ' A' ' 12' ' ' ILE . 11.5 t80 -87.66 -23.1 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 4.4 mm -79.14 -32.34 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -88.31 -34.11 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.23 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -71.74 -31.17 66.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.543 HG13 ' CE1' ' A' ' 8' ' ' PHE . 3.7 mm -85.98 -36.66 10.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.533 ' O ' ' CD2' ' A' ' 13' ' ' TRP . 51.3 p-90 -159.58 98.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 107.997 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 21.8 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 2' ' ' PHE . 49.5 p90 -44.99 107.76 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.39 -19.23 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.87 -13.15 42.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.494 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -74.37 -43.34 49.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.79 -23.34 45.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . -74.29 -37.37 48.27 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.499 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 5.2 t80 -87.4 -22.98 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.791 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.3 mm -79.06 -32.26 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -34.02 17.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 7' ' ' GLY . 72.7 m-20 -71.85 -31.16 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.7 mm -85.76 -36.89 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.517 ' O ' ' CD2' ' A' ' 13' ' ' TRP . 46.8 p-90 -160.88 96.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 107.965 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.8 t80 52.04 80.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 147.66 -19.47 1.47 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.26 -12.78 44.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.497 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.95 -43.39 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.69 -23.18 45.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.59 -37.89 45.12 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.462 1.102 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.55 ' CE1' HG13 ' A' ' 12' ' ' ILE . 8.6 t80 -86.78 -22.95 25.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.753 . . . . 0.0 110.968 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.545 ' O ' ' CG ' ' A' ' 13' ' ' TRP . 3.4 mm -79.56 -32.15 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.61 -33.7 18.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -72.9 -31.0 64.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.55 HG13 ' CE1' ' A' ' 8' ' ' PHE . 5.4 mm -85.3 -36.01 10.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 20.6 m0 -77.46 78.67 3.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.534 HG22 ' HD1' ' A' ' 2' ' ' PHE . 3.5 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.534 ' HD1' HG22 ' A' ' 1' ' ' ILE . 2.4 m-85 -119.21 90.16 3.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 146.07 -20.2 1.76 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.585 1.178 . . . . 0.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.42 -14.34 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.493 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -73.84 -43.46 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.48 -23.53 50.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.34 -37.36 47.95 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.492 1.12 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.497 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 3.5 t80 -86.53 -22.62 26.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 0.768 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.5 mm -79.74 -31.85 14.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -87.71 -33.76 18.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -72.99 -31.13 64.31 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.6 mm -84.87 -36.68 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.508 ' O ' ' CG ' ' A' ' 13' ' ' TRP . 41.0 p-90 -161.81 95.33 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 6.9 tp . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.3 t80 49.15 89.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.2 -19.02 1.19 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.56 -13.31 40.33 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.44 0.729 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.538 HG23 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.25 -43.51 50.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.79 46.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 11' ' ' ASN . . . -74.58 -37.43 46.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.501 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 3.1 t80 -87.38 -22.93 24.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.588 0.817 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.538 HD12 HG23 ' A' ' 5' ' ' ILE . 60.6 mt -79.3 -32.72 15.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.8 -33.82 18.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.167 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 4.3 m-20 -72.1 -31.19 65.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.588 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 11.1 mm -85.59 -35.98 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.588 ' CD1' ' O ' ' A' ' 12' ' ' ILE . 31.9 p-90 44.6 -165.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 107.957 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 19.9 mm . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.505 ' CD1' ' N ' ' A' ' 2' ' ' PHE . 2.6 p90 -145.67 95.98 2.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.604 1.19 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.14 -18.97 1.2 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.147 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.33 -13.6 40.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.508 HG23 HD12 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -74.25 -43.74 49.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.9 -23.24 48.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.56 -37.36 46.55 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.555 1.159 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.501 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 1.8 t80 -86.77 -22.67 25.78 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.42 0.718 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.508 HD12 HG23 ' A' ' 5' ' ' ILE . 63.3 mt -79.64 -32.73 14.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -87.29 -33.4 19.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.594 1.184 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -72.99 -31.21 64.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 6.2 mm -85.15 -35.67 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.436 ' CD1' HG22 ' A' ' 12' ' ' ILE . 72.3 m95 -121.59 -78.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 108.072 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.6 pp . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -97.66 63.36 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.7 -21.33 0.8 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.07 -13.09 44.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.59 0.817 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.496 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -74.29 -43.38 50.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.0 -23.16 44.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.57 -37.26 46.76 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.5 ' O ' ' CG1' ' A' ' 12' ' ' ILE . 7.0 t80 -87.5 -23.13 24.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 0.758 . . . . 0.0 111.071 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 5' ' ' ILE . 3.6 mm -79.11 -32.27 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -34.25 17.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -71.76 -31.09 66.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 8' ' ' PHE . 3.6 mm -85.79 -36.86 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.494 ' O ' ' CD2' ' A' ' 13' ' ' TRP . 46.6 p-90 -160.55 97.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 108.013 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_