data_2l4g_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 2l4g _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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.026 -0.83 . . . . 72.14 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 tp -75.48 -50.45 15.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 74.51 109.279 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -22.7 25.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 72.44 111.047 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.6 -21.25 44.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 72.13 111.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.27 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.72 . . . . 73.42 109.288 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.89 -44.09 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 72.24 109.289 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.77 -43.06 17.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 73.34 109.27 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.85 -29.99 76.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.149 . . . . 71.23 111.052 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.7 t80 -78.03 -24.7 47.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.471 0.747 . . . . 74.22 111.042 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.26 -27.8 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.45 109.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.89 -20.97 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 65.55 110.326 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.95 -35.08 5.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.53 109.356 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.66 60.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 71.44 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.8 -76.33 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 61.12 108.031 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -38.12 -34.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 75.22 110.282 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.75 -53.59 30.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 75.52 111.035 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.426 ' O ' ' CG ' ' A' ' 17' ' ' MET . 15.2 ttt -68.87 -8.75 46.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 75.21 110.974 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -96.95 -28.22 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 74.22 109.279 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 75.42 109.255 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -50.48 15.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 0.725 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -22.7 26.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.65 -21.23 44.44 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.557 1.16 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.64 -27.2 31.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.01 -43.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.8 -43.05 18.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -30.01 76.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -78.06 -24.76 47.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.23 -27.85 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -20.87 62.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.02 -35.14 5.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.89 -14.57 60.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.8 -76.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 107.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.7 tp10 -38.18 -41.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.12 -47.59 71.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -67.27 -8.85 35.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.2 mt -94.28 -29.63 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.235 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tp -75.4 -50.43 15.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 0.798 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.83 -22.69 26.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.69 -21.1 44.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.576 1.173 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.76 -27.21 31.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.95 -44.05 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.76 -43.09 17.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.88 -30.01 76.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.417 1.073 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' ILE . 41.8 t80 -77.99 -24.75 47.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.42 -27.65 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -61.04 -20.81 62.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -113.01 -35.17 5.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.55 60.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.83 -76.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' TRP . 49.7 mt-10 -38.13 -42.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.378 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.52 -45.66 66.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 27.8 mmm -67.09 -8.74 32.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 mt -94.26 -33.58 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -50.45 15.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 0.747 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -22.59 25.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.68 -21.25 44.25 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.62 -27.3 31.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.243 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.98 -43.96 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.87 -43.05 18.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -29.99 76.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' ILE . 19.1 t80 -77.97 -24.78 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.23 -27.79 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.368 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 70.6 mt-10 -61.02 -20.89 63.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -112.93 -35.13 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.86 -14.65 60.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.79 -76.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 108.026 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 11.6 pt-20 -38.18 -36.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.18 -49.05 22.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' TRP . 6.0 mtp -66.75 -8.8 30.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.516 HD11 ' CD1' ' A' ' 14' ' ' TRP . 81.5 mt -95.9 -35.81 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 tp -75.41 -50.48 15.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.82 -22.72 26.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.72 -21.09 44.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.75 -27.23 31.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.93 -44.02 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.84 -42.94 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.91 -30.13 76.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -77.92 -24.69 48.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 0.8 . . . . 0.0 111.074 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.83 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -60.95 -20.91 62.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -113.0 -35.09 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.61 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.84 -76.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 108.01 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 11.8 pt-20 -38.12 -33.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.29 -50.98 29.55 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.604 1.19 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -67.41 -8.73 35.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 0.806 . . . . 0.0 110.925 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.0 mt -89.94 -31.93 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.31 -50.54 15.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.757 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.77 -22.72 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.18 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.77 -20.87 45.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.08 -27.14 30.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.97 -44.06 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.72 -43.06 17.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.89 -30.06 76.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -77.97 -24.77 47.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.27 -27.71 28.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.385 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 12.2 pt-20 -61.03 -20.85 63.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -113.05 -35.07 5.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.59 60.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.79 -76.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 10.2 pt-20 -38.12 -34.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.61 -50.13 26.99 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -68.24 -8.79 42.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 0.721 . . . . 0.0 111.012 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 14' ' ' TRP . 66.0 mt -91.13 -30.2 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.2 tp -75.54 -50.31 16.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 0.751 . . . . 0.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -22.66 27.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.74 -21.02 44.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.434 1.084 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.92 -27.08 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.591 0.818 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.97 -44.07 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -42.99 18.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.89 -30.05 76.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -78.02 -24.66 47.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 111.063 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.29 -27.82 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.92 -20.9 62.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -113.03 -35.1 5.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.53 60.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.87 -76.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 108.011 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.8 tm-20 -38.17 -37.44 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.64 -49.04 20.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.444 1.09 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 14' ' ' TRP . 57.2 mmm -67.58 -8.77 36.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.3 mm -98.89 -31.92 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.2 t0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.347 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.27 -50.5 15.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.371 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.76 -22.75 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.9 -20.81 45.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.04 -27.13 30.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.9 -44.09 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.82 -43.04 18.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -29.92 76.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.419 1.074 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.0 t80 -78.15 -24.68 47.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 0.788 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.83 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -20.87 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.99 -35.13 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.54 60.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.84 -76.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' TRP . 6.8 tt0 -38.14 -38.44 0.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 110.209 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.82 -48.5 48.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' TRP . 7.2 mtt -66.66 -8.83 30.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mm -94.39 -29.07 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.26 -50.49 15.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 0.814 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.81 -22.76 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.86 -20.66 45.95 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.57 1.169 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.25 -27.16 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 109.216 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.9 -43.92 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.86 -42.97 18.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.93 -29.96 76.09 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.556 1.16 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -78.05 -24.79 47.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 110.936 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.22 -27.83 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.9 -20.99 62.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -113.05 -34.99 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.64 60.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.82 -76.28 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' TRP . 13.8 mm-40 -38.17 -34.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.01 -49.9 20.23 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' TRP . 1.6 mtm -67.8 -8.88 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.3 mm -98.92 -28.41 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.7 tp -75.48 -50.41 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 0.731 . . . . 0.0 109.384 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.84 -22.75 26.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.83 -20.68 46.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.19 -27.21 30.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.91 -43.99 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.84 -43.02 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.9 -29.9 76.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 6' ' ' ILE . 16.1 t80 -78.12 -24.68 47.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.1 mt -57.39 -27.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.98 -20.92 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -112.93 -35.13 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.86 -14.63 60.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.74 -76.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' TRP . 81.9 tt0 -38.09 -42.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.96 70.24 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 14' ' ' TRP . 4.0 ttt -67.46 -8.78 36.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -94.79 -39.67 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.41 -50.5 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 0.812 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.77 -22.73 25.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.86 -20.62 46.17 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.29 -27.13 30.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.86 -43.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.17 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.252 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.75 75.73 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -78.26 -24.73 46.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.36 -27.67 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.99 -20.96 63.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 110.272 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -112.98 -35.05 5.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.58 60.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.94 -76.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.1 tm-20 -38.15 -34.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.0 -50.9 26.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.557 1.16 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.41 -8.86 28.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 0.802 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -95.06 -39.48 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 tp -75.19 -50.65 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.736 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.69 -22.78 24.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.0 -20.44 46.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.58 -26.95 29.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.5 mt -44.99 -44.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.87 -43.02 18.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.96 -29.79 75.73 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -78.29 -24.68 46.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 110.958 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.31 -27.79 29.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.96 -20.83 62.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -113.01 -35.16 5.5 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.88 -14.59 60.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.79 -76.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 107.972 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -38.05 -34.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.48 -53.07 26.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 14' ' ' TRP . 31.4 mtt -69.65 -8.73 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -94.48 -28.98 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.55 -50.37 15.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 0.723 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.87 -22.74 26.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.02 -20.51 46.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.4 -26.87 30.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.99 -44.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.83 -42.87 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.02 76.17 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 t80 -78.01 -24.78 47.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.32 -27.73 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.96 -20.86 62.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -113.01 -35.14 5.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.77 -14.7 60.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.77 -76.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -38.12 -43.47 0.75 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.75 -46.62 82.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.568 1.168 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.66 -8.82 30.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 111.076 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.7 mt -95.21 -29.94 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 tp -75.34 -50.53 15.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -22.74 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.041 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.58 -21.25 44.64 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.58 -27.32 31.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 0.821 . . . . 0.0 109.368 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.96 -43.92 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -43.06 18.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.77 -30.11 76.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 t80 -77.98 -24.75 47.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 111.016 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.538 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.31 -27.75 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -60.99 -20.88 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.03 -35.05 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.55 60.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.54 ' CD1' HD13 ' A' ' 18' ' ' ILE . 9.7 t90 -101.75 -76.29 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 108.005 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' ' 15' ' ' GLU . 1.5 pp20? -38.05 -36.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.98 -47.43 13.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' TRP . 10.0 mmt -66.71 -8.85 30.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.754 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.54 HD13 ' CD1' ' A' ' 14' ' ' TRP . 86.7 mt -89.4 -30.64 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 tp -75.51 -50.34 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -22.66 26.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.93 -20.8 45.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.443 1.089 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.1 -26.67 30.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.53 -43.94 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.63 -42.23 15.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.84 -30.95 78.24 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.4 m-85 -77.98 -24.72 47.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.24 -27.82 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 2.0 mm-40 -60.96 -20.86 62.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.608 ' N ' HD21 ' A' ' 12' ' ' ASN . 1.3 m-80 -113.0 -35.15 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.8 -14.69 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.77 -76.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 16' ' ' GLY . 13.7 pt-20 -38.15 -42.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.433 ' N ' ' CG ' ' A' ' 15' ' ' GLU . . . -68.24 -45.95 67.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' TRP . 11.3 mtp -66.42 -8.8 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mm -91.68 -28.35 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.253 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.56 -50.32 15.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -22.65 27.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.85 -20.94 44.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.03 -26.62 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.42 -44.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.53 -42.33 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.82 -30.83 78.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.5 m-85 -78.07 -24.73 47.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.27 -27.73 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.0 -20.95 63.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -112.98 -35.08 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.79 -14.73 60.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.75 -76.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.079 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.9 tp10 -38.05 -32.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.357 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . -73.59 -50.22 12.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.66 -8.76 29.84 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.465 0.744 . . . . 0.0 111.039 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.43 HD11 ' CD1' ' A' ' 14' ' ' TRP . 78.6 mt -96.58 -28.64 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tp -75.4 -50.46 15.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.8 -22.75 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.59 -21.3 44.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.54 -27.32 31.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 0.795 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.95 -43.96 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.92 -42.97 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.93 -29.97 76.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.1 t80 -77.98 -24.8 47.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 111.031 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.22 -26.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -21.98 64.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.45 ' ND2' ' C ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -113.76 -33.82 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.434 ' N ' ' ND2' ' A' ' 12' ' ' ASN . . . -75.96 -15.11 60.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.6 t90 -101.57 -76.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 15' ' ' GLU . 1.3 pp20? -38.1 -34.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.72 -52.92 10.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -8.8 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -97.89 -29.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.3 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 tp -75.35 -50.53 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.77 -22.73 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.45 -21.48 44.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.433 1.083 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.39 -27.38 32.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.87 -43.2 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.53 -43.54 17.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.58 -30.08 76.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.9 t80 -77.97 -24.76 47.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.77 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.97 -20.92 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -112.96 -35.09 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.62 60.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.82 -76.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 107.996 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.3 mm-40 -38.15 -33.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.44 -56.41 21.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.0 ptm -67.87 -8.81 39.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.8 mt -89.99 -30.8 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.39 -50.44 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.385 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -22.74 25.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.52 -21.41 44.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.4 -27.33 32.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.99 -43.78 2.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.76 -43.18 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.75 -29.93 76.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.563 1.165 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' ILE . 9.5 t80 -78.09 -24.76 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.1 mt -57.25 -27.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -60.98 -20.96 63.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.435 ' N ' HD21 ' A' ' 12' ' ' ASN . 1.7 m-80 -112.91 -35.07 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.368 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.92 -14.62 60.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.77 -76.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -38.17 -42.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.95 -51.72 57.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.408 ' O ' ' CG ' ' A' ' 17' ' ' MET . 11.6 tpp -71.5 -12.87 61.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mm -90.39 -29.21 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 tp -75.41 -50.45 15.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.81 -22.72 26.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.59 -21.21 44.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.582 1.176 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.63 -27.27 31.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.87 -44.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -43.18 18.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.217 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.94 76.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.7 t80 -78.08 -24.7 47.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.35 -27.73 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.93 -20.91 62.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.623 1.202 . . . . 0.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -113.0 -35.16 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.81 -14.61 60.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.77 -76.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' TRP . 10.7 tt0 -38.08 -33.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.76 -57.74 14.95 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.3 ptp -66.76 -8.85 31.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 0.72 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mm -89.45 -33.88 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.37 1.044 . . . . 0.0 109.342 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.026 -0.83 . . . . 72.14 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 tp -75.48 -50.45 15.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 74.51 109.279 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -22.7 25.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 72.44 111.047 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.6 -21.25 44.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 72.13 111.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.27 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.72 . . . . 73.42 109.288 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.89 -44.09 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 72.24 109.289 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.77 -43.06 17.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 73.34 109.27 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.85 -29.99 76.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.149 . . . . 71.23 111.052 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.7 t80 -78.03 -24.7 47.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.471 0.747 . . . . 74.22 111.042 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.26 -27.8 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.45 109.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.89 -20.97 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 65.55 110.326 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.95 -35.08 5.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.53 109.356 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.66 60.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 71.44 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.8 -76.33 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 61.12 108.031 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -38.12 -34.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 75.22 110.282 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.75 -53.59 30.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 75.52 111.035 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.426 ' O ' ' CG ' ' A' ' 17' ' ' MET . 15.2 ttt -68.87 -8.75 46.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 75.21 110.974 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -96.95 -28.22 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 74.22 109.279 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.5 t0 45.37 72.3 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 75.42 109.255 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 33.44 111.01 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -50.48 15.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 0.725 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -22.7 26.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.65 -21.23 44.44 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.557 1.16 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.64 -27.2 31.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.01 -43.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.8 -43.05 18.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -30.01 76.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -78.06 -24.76 47.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.23 -27.85 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -20.87 62.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.02 -35.14 5.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.89 -14.57 60.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.8 -76.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 107.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.7 tp10 -38.18 -41.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.12 -47.59 71.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -67.27 -8.85 35.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.2 mt -94.28 -29.63 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.235 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -111.47 -162.76 0.81 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.944 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tp -75.4 -50.43 15.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 0.798 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.83 -22.69 26.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.69 -21.1 44.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.576 1.173 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.76 -27.21 31.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.95 -44.05 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.76 -43.09 17.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.88 -30.01 76.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.417 1.073 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' ILE . 41.8 t80 -77.99 -24.75 47.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.42 -27.65 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -61.04 -20.81 62.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -113.01 -35.17 5.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.55 60.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.83 -76.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' TRP . 49.7 mt-10 -38.13 -42.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.378 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.52 -45.66 66.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 27.8 mmm -67.09 -8.74 32.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 mt -94.26 -33.58 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -104.79 -158.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.904 0 O-C-N 124.401 1.063 . . . . 0.0 111.015 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -50.45 15.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 0.747 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -22.59 25.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.68 -21.25 44.25 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.62 -27.3 31.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.243 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.98 -43.96 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.87 -43.05 18.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -29.99 76.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' ILE . 19.1 t80 -77.97 -24.78 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.23 -27.79 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.368 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 70.6 mt-10 -61.02 -20.89 63.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -112.93 -35.13 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.86 -14.65 60.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.79 -76.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 108.026 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 11.6 pt-20 -38.18 -36.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.18 -49.05 22.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' TRP . 6.0 mtp -66.75 -8.8 30.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.516 HD11 ' CD1' ' A' ' 14' ' ' TRP . 81.5 mt -95.9 -35.81 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.26 -55.73 5.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 tp -75.41 -50.48 15.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.82 -22.72 26.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.72 -21.09 44.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.75 -27.23 31.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.93 -44.02 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.84 -42.94 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.91 -30.13 76.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -77.92 -24.69 48.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 0.8 . . . . 0.0 111.074 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.83 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -60.95 -20.91 62.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -113.0 -35.09 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.61 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.84 -76.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 108.01 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 11.8 pt-20 -38.12 -33.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.29 -50.98 29.55 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.604 1.19 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -67.41 -8.73 35.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 0.806 . . . . 0.0 110.925 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.0 mt -89.94 -31.93 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -71.86 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.561 1.163 . . . . 0.0 111.057 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.31 -50.54 15.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.757 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.77 -22.72 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.18 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.77 -20.87 45.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.08 -27.14 30.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.97 -44.06 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.72 -43.06 17.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.89 -30.06 76.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -77.97 -24.77 47.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.27 -27.71 28.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.385 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 12.2 pt-20 -61.03 -20.85 63.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -113.05 -35.07 5.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.59 60.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.79 -76.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 10.2 pt-20 -38.12 -34.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.61 -50.13 26.99 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -68.24 -8.79 42.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 0.721 . . . . 0.0 111.012 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 14' ' ' TRP . 66.0 mt -91.13 -30.2 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -96.01 177.48 5.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.433 1.083 . . . . 0.0 110.996 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.2 tp -75.54 -50.31 16.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 0.751 . . . . 0.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -22.66 27.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.74 -21.02 44.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.434 1.084 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.92 -27.08 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.591 0.818 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.97 -44.07 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -42.99 18.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.89 -30.05 76.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -78.02 -24.66 47.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 111.063 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.29 -27.82 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.92 -20.9 62.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -113.03 -35.1 5.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.53 60.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.87 -76.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 108.011 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.8 tm-20 -38.17 -37.44 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.64 -49.04 20.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.444 1.09 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 14' ' ' TRP . 57.2 mmm -67.58 -8.77 36.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.3 mm -98.89 -31.92 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.2 t0 73.25 101.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.27 -50.5 15.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.371 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.76 -22.75 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.9 -20.81 45.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.04 -27.13 30.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.9 -44.09 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.82 -43.04 18.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -29.92 76.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.419 1.074 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.0 t80 -78.15 -24.68 47.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 0.788 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.83 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -20.87 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.99 -35.13 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.54 60.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.84 -76.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' TRP . 6.8 tt0 -38.14 -38.44 0.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 110.209 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.82 -48.5 48.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' TRP . 7.2 mtt -66.66 -8.83 30.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mm -94.39 -29.07 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -162.48 98.34 1.01 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.26 -50.49 15.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 0.814 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.81 -22.76 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.86 -20.66 45.95 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.57 1.169 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.25 -27.16 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 109.216 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.9 -43.92 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.86 -42.97 18.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.93 -29.96 76.09 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.556 1.16 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -78.05 -24.79 47.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 110.936 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.22 -27.83 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.9 -20.99 62.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -113.05 -34.99 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.64 60.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.82 -76.28 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' TRP . 13.8 mm-40 -38.17 -34.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.01 -49.9 20.23 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' TRP . 1.6 mtm -67.8 -8.88 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.3 mm -98.92 -28.41 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 69.93 54.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.7 tp -75.48 -50.41 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 0.731 . . . . 0.0 109.384 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.84 -22.75 26.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.83 -20.68 46.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.19 -27.21 30.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.91 -43.99 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.84 -43.02 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.9 -29.9 76.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 6' ' ' ILE . 16.1 t80 -78.12 -24.68 47.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.1 mt -57.39 -27.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.98 -20.92 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -112.93 -35.13 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.86 -14.63 60.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.74 -76.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' TRP . 81.9 tt0 -38.09 -42.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.96 70.24 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 14' ' ' TRP . 4.0 ttt -67.46 -8.78 36.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -94.79 -39.67 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 40.93 87.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.54 1.15 . . . . 0.0 110.945 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.41 -50.5 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 0.812 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.77 -22.73 25.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.86 -20.62 46.17 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.29 -27.13 30.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.86 -43.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.17 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.252 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.75 75.73 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -78.26 -24.73 46.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.36 -27.67 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.99 -20.96 63.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 110.272 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -112.98 -35.05 5.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.58 60.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.94 -76.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.1 tm-20 -38.15 -34.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.0 -50.9 26.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.557 1.16 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.41 -8.86 28.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 0.802 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -95.06 -39.48 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.61 70.55 3.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 tp -75.19 -50.65 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.736 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.69 -22.78 24.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.0 -20.44 46.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.58 -26.95 29.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.5 mt -44.99 -44.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.87 -43.02 18.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.96 -29.79 75.73 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -78.29 -24.68 46.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 110.958 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.31 -27.79 29.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.96 -20.83 62.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -113.01 -35.16 5.5 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.88 -14.59 60.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.79 -76.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 107.972 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -38.05 -34.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.48 -53.07 26.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 14' ' ' TRP . 31.4 mtt -69.65 -8.73 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -94.48 -28.98 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.37 86.85 3.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.55 -50.37 15.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 0.723 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.87 -22.74 26.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.02 -20.51 46.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.4 -26.87 30.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.99 -44.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.83 -42.87 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.02 76.17 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 t80 -78.01 -24.78 47.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.32 -27.73 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.96 -20.86 62.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -113.01 -35.14 5.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.77 -14.7 60.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.77 -76.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -38.12 -43.47 0.75 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.75 -46.62 82.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.568 1.168 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.66 -8.82 30.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 111.076 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.7 mt -95.21 -29.94 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.99 100.17 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.552 1.158 . . . . 0.0 111.004 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 tp -75.34 -50.53 15.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -22.74 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.041 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.58 -21.25 44.64 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.58 -27.32 31.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 0.821 . . . . 0.0 109.368 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.96 -43.92 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -43.06 18.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.77 -30.11 76.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 t80 -77.98 -24.75 47.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 111.016 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.538 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.31 -27.75 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -60.99 -20.88 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.03 -35.05 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.55 60.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.54 ' CD1' HD13 ' A' ' 18' ' ' ILE . 9.7 t90 -101.75 -76.29 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 108.005 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' ' 15' ' ' GLU . 1.5 pp20? -38.05 -36.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.98 -47.43 13.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' TRP . 10.0 mmt -66.71 -8.85 30.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.754 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.54 HD13 ' CD1' ' A' ' 14' ' ' TRP . 86.7 mt -89.4 -30.64 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.36 65.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.416 1.073 . . . . 0.0 111.01 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 tp -75.51 -50.34 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -22.66 26.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.93 -20.8 45.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.443 1.089 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.1 -26.67 30.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.53 -43.94 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.63 -42.23 15.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.84 -30.95 78.24 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.4 m-85 -77.98 -24.72 47.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.24 -27.82 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 2.0 mm-40 -60.96 -20.86 62.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.608 ' N ' HD21 ' A' ' 12' ' ' ASN . 1.3 m-80 -113.0 -35.15 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.8 -14.69 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.77 -76.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 16' ' ' GLY . 13.7 pt-20 -38.15 -42.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.433 ' N ' ' CG ' ' A' ' 15' ' ' GLU . . . -68.24 -45.95 67.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' TRP . 11.3 mtp -66.42 -8.8 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mm -91.68 -28.35 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -126.08 -156.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.561 1.163 . . . . 0.0 110.961 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.56 -50.32 15.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -22.65 27.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.85 -20.94 44.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.03 -26.62 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.42 -44.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.53 -42.33 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.82 -30.83 78.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.5 m-85 -78.07 -24.73 47.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.27 -27.73 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.0 -20.95 63.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -112.98 -35.08 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.79 -14.73 60.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.75 -76.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.079 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.9 tp10 -38.05 -32.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.357 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . -73.59 -50.22 12.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.66 -8.76 29.84 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.465 0.744 . . . . 0.0 111.039 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.43 HD11 ' CD1' ' A' ' 14' ' ' TRP . 78.6 mt -96.58 -28.64 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.35 49.03 10.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tp -75.4 -50.46 15.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.8 -22.75 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.59 -21.3 44.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.54 -27.32 31.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 0.795 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.95 -43.96 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.92 -42.97 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.93 -29.97 76.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.1 t80 -77.98 -24.8 47.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 111.031 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.22 -26.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -21.98 64.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.45 ' ND2' ' C ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -113.76 -33.82 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.434 ' N ' ' ND2' ' A' ' 12' ' ' ASN . . . -75.96 -15.11 60.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.6 t90 -101.57 -76.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 15' ' ' GLU . 1.3 pp20? -38.1 -34.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.72 -52.92 10.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -8.8 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -97.89 -29.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -68.51 -25.64 65.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 tp -75.35 -50.53 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.77 -22.73 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.45 -21.48 44.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.433 1.083 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.39 -27.38 32.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.87 -43.2 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.53 -43.54 17.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.58 -30.08 76.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.9 t80 -77.97 -24.76 47.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.77 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.97 -20.92 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -112.96 -35.09 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.62 60.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.82 -76.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 107.996 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.3 mm-40 -38.15 -33.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.44 -56.41 21.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.0 ptm -67.87 -8.81 39.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 89.8 mt -89.99 -30.8 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.61 80.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.39 -50.44 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.385 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -22.74 25.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.52 -21.41 44.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.4 -27.33 32.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.99 -43.78 2.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.76 -43.18 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.75 -29.93 76.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.563 1.165 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' ILE . 9.5 t80 -78.09 -24.76 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.1 mt -57.25 -27.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -60.98 -20.96 63.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.435 ' N ' HD21 ' A' ' 12' ' ' ASN . 1.7 m-80 -112.91 -35.07 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.368 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.92 -14.62 60.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.77 -76.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -38.17 -42.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.95 -51.72 57.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.408 ' O ' ' CG ' ' A' ' 17' ' ' MET . 11.6 tpp -71.5 -12.87 61.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mm -90.39 -29.21 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER -137.51 90.4 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 tp -75.41 -50.45 15.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.81 -22.72 26.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.59 -21.21 44.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.582 1.176 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.63 -27.27 31.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.87 -44.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -43.18 18.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.217 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.94 76.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.7 t80 -78.08 -24.7 47.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.35 -27.73 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.93 -20.91 62.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.623 1.202 . . . . 0.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -113.0 -35.16 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.81 -14.61 60.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.77 -76.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' TRP . 10.7 tt0 -38.08 -33.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.76 -57.74 14.95 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.3 ptp -66.76 -8.85 31.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 0.72 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mm -89.45 -33.88 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -104.65 173.1 6.45 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.37 1.044 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.026 -0.83 . . . . 31.399999999999999 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 tp -75.48 -50.45 15.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 73.230000000000004 109.279 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -22.7 25.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 72.439999999999998 111.047 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.6 -21.25 44.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 72.129999999999995 111.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.27 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.72 . . . . 73.420000000000002 109.288 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.89 -44.09 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 72.239999999999995 109.289 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.77 -43.06 17.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 73.340000000000003 109.27 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.85 -29.99 76.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.149 . . . . 71.230000000000004 111.052 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.7 t80 -78.03 -24.7 47.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.471 0.747 . . . . 74.219999999999999 111.042 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.26 -27.8 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.450000000000003 109.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.89 -20.97 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 65.549999999999997 110.326 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.95 -35.08 5.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.530000000000001 109.356 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.66 60.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 64.140000000000001 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.8 -76.33 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 60.119999999999997 108.031 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -38.12 -34.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 73.409999999999997 110.282 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.75 -53.59 30.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 73.329999999999998 111.035 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.426 ' O ' ' CG ' ' A' ' 17' ' ' MET . 15.2 ttt -68.87 -8.75 46.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 75.209999999999994 110.974 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -96.95 -28.22 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 74.219999999999999 109.279 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 75.420000000000002 109.255 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -50.48 15.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 0.725 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -22.7 26.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.65 -21.23 44.44 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.557 1.16 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.64 -27.2 31.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.01 -43.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.8 -43.05 18.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -30.01 76.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -78.06 -24.76 47.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.23 -27.85 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -20.87 62.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.02 -35.14 5.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.89 -14.57 60.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.8 -76.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 107.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.42 ' HA ' HD12 ' A' ' 18' ' ' ILE . 1.7 tp10 -38.18 -41.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.12 -47.59 71.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -67.27 -8.85 35.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.5 HD11 ' CD1' ' A' ' 14' ' ' TRP . 78.2 mt -94.28 -29.63 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.235 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tp -75.4 -50.43 15.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 0.798 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.83 -22.69 26.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.69 -21.1 44.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.576 1.173 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.76 -27.21 31.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.95 -44.05 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.76 -43.09 17.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.88 -30.01 76.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.417 1.073 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' ILE . 41.8 t80 -77.99 -24.75 47.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.42 -27.65 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -61.04 -20.81 62.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -113.01 -35.17 5.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.55 60.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.83 -76.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' TRP . 49.7 mt-10 -38.13 -42.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.378 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.52 -45.66 66.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 27.8 mmm -67.09 -8.74 32.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 mt -94.26 -33.58 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -50.45 15.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 0.747 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -22.59 25.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.68 -21.25 44.25 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.62 -27.3 31.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.243 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.98 -43.96 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.87 -43.05 18.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -29.99 76.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' ILE . 19.1 t80 -77.97 -24.78 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.23 -27.79 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.368 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 70.6 mt-10 -61.02 -20.89 63.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -112.93 -35.13 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.86 -14.65 60.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.825 ' NE1' HD11 ' A' ' 18' ' ' ILE . 9.8 t90 -101.79 -76.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 108.026 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 11.6 pt-20 -38.18 -36.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.18 -49.05 22.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' TRP . 6.0 mtp -66.75 -8.8 30.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.825 HD11 ' NE1' ' A' ' 14' ' ' TRP . 81.5 mt -95.9 -35.81 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 tp -75.41 -50.48 15.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.82 -22.72 26.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.72 -21.09 44.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.75 -27.23 31.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.93 -44.02 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.84 -42.94 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.91 -30.13 76.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -77.92 -24.69 48.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 0.8 . . . . 0.0 111.074 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.83 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -60.95 -20.91 62.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -113.0 -35.09 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.61 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.84 -76.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 108.01 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.78 ' HA ' HD12 ' A' ' 18' ' ' ILE . 11.8 pt-20 -38.12 -33.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.29 -50.98 29.55 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.604 1.19 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -67.41 -8.73 35.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 0.806 . . . . 0.0 110.925 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 15' ' ' GLU . 49.0 mt -89.94 -31.93 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.31 -50.54 15.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.757 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.77 -22.72 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.18 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.77 -20.87 45.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.08 -27.14 30.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.97 -44.06 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.72 -43.06 17.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.89 -30.06 76.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -77.97 -24.77 47.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.27 -27.71 28.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.385 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 12.2 pt-20 -61.03 -20.85 63.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -113.05 -35.07 5.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.59 60.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.551 ' NE1' HD11 ' A' ' 18' ' ' ILE . 9.7 t90 -101.79 -76.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 10.2 pt-20 -38.12 -34.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.61 -50.13 26.99 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -68.24 -8.79 42.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 0.721 . . . . 0.0 111.012 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.551 HD11 ' NE1' ' A' ' 14' ' ' TRP . 66.0 mt -91.13 -30.2 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.2 tp -75.54 -50.31 16.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 0.751 . . . . 0.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -22.66 27.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.74 -21.02 44.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.434 1.084 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.92 -27.08 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.591 0.818 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.97 -44.07 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -42.99 18.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.89 -30.05 76.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -78.02 -24.66 47.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 111.063 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.29 -27.82 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.92 -20.9 62.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -113.03 -35.1 5.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.53 60.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.87 -76.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 108.011 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.8 tm-20 -38.17 -37.44 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.64 -49.04 20.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.444 1.09 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 14' ' ' TRP . 57.2 mmm -67.58 -8.77 36.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.512 HD11 ' HE1' ' A' ' 14' ' ' TRP . 3.3 mm -98.89 -31.92 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.2 t0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.347 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.27 -50.5 15.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.371 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.76 -22.75 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.9 -20.81 45.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.04 -27.13 30.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.9 -44.09 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.82 -43.04 18.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -29.92 76.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.419 1.074 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.0 t80 -78.15 -24.68 47.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 0.788 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.83 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -20.87 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.99 -35.13 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.54 60.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.84 -76.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' TRP . 6.8 tt0 -38.14 -38.44 0.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 110.209 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.82 -48.5 48.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' TRP . 7.2 mtt -66.66 -8.83 30.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mm -94.39 -29.07 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.26 -50.49 15.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 0.814 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.81 -22.76 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.86 -20.66 45.95 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.57 1.169 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.25 -27.16 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 109.216 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.9 -43.92 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.86 -42.97 18.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.93 -29.96 76.09 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.556 1.16 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -78.05 -24.79 47.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 110.936 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.22 -27.83 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.9 -20.99 62.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -113.05 -34.99 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.64 60.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.82 -76.28 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' TRP . 13.8 mm-40 -38.17 -34.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.01 -49.9 20.23 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' TRP . 1.6 mtm -67.8 -8.88 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.427 HD11 ' HE1' ' A' ' 14' ' ' TRP . 3.3 mm -98.92 -28.41 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.7 tp -75.48 -50.41 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 0.731 . . . . 0.0 109.384 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.84 -22.75 26.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.83 -20.68 46.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.19 -27.21 30.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.91 -43.99 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.84 -43.02 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.9 -29.9 76.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 6' ' ' ILE . 16.1 t80 -78.12 -24.68 47.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.1 mt -57.39 -27.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.98 -20.92 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -112.93 -35.13 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.86 -14.63 60.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.74 -76.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' TRP . 81.9 tt0 -38.09 -42.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.96 70.24 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 14' ' ' TRP . 4.0 ttt -67.46 -8.78 36.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -94.79 -39.67 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.41 -50.5 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 0.812 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.77 -22.73 25.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.86 -20.62 46.17 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.29 -27.13 30.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.86 -43.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.17 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.252 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.75 75.73 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -78.26 -24.73 46.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.36 -27.67 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.99 -20.96 63.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 110.272 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -112.98 -35.05 5.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.58 60.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.94 -76.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.1 tm-20 -38.15 -34.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.0 -50.9 26.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.557 1.16 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.41 -8.86 28.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 0.802 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -95.06 -39.48 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 2' ' ' LEU . 8.8 tp -75.19 -50.65 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.736 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.69 -22.78 24.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.0 -20.44 46.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.58 -26.95 29.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.5 mt -44.99 -44.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.87 -43.02 18.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.96 -29.79 75.73 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -78.29 -24.68 46.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 110.958 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.31 -27.79 29.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.96 -20.83 62.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -113.01 -35.16 5.5 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.88 -14.59 60.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.79 -76.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 107.972 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -38.05 -34.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.48 -53.07 26.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 14' ' ' TRP . 31.4 mtt -69.65 -8.73 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.499 HD11 ' NE1' ' A' ' 14' ' ' TRP . 3.6 mm -94.48 -28.98 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.55 -50.37 15.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 0.723 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.87 -22.74 26.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.02 -20.51 46.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.4 -26.87 30.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.99 -44.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.83 -42.87 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.02 76.17 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 t80 -78.01 -24.78 47.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.32 -27.73 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.96 -20.86 62.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -113.01 -35.14 5.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.77 -14.7 60.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.77 -76.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -38.12 -43.47 0.75 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.75 -46.62 82.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.568 1.168 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.66 -8.82 30.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 111.076 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.431 HD11 ' NE1' ' A' ' 14' ' ' TRP . 45.7 mt -95.21 -29.94 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 tp -75.34 -50.53 15.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -22.74 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.041 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.58 -21.25 44.64 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.58 -27.32 31.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 0.821 . . . . 0.0 109.368 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.96 -43.92 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -43.06 18.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.77 -30.11 76.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 t80 -77.98 -24.75 47.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 111.016 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.538 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.31 -27.75 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -60.99 -20.88 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.03 -35.05 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.55 60.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.538 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.75 -76.29 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 108.005 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 18' ' ' ILE . 1.5 pp20? -38.05 -36.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.98 -47.43 13.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' TRP . 10.0 mmt -66.71 -8.85 30.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.754 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.529 HD11 ' CD1' ' A' ' 14' ' ' TRP . 86.7 mt -89.4 -30.64 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 tp -75.51 -50.34 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -22.66 26.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.93 -20.8 45.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.443 1.089 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.1 -26.67 30.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.53 -43.94 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.63 -42.23 15.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.84 -30.95 78.24 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.4 m-85 -77.98 -24.72 47.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.24 -27.82 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 2.0 mm-40 -60.96 -20.86 62.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -113.0 -35.15 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.8 -14.69 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.77 -76.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 16' ' ' GLY . 13.7 pt-20 -38.15 -42.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.433 ' N ' ' CG ' ' A' ' 15' ' ' GLU . . . -68.24 -45.95 67.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' TRP . 11.3 mtp -66.42 -8.8 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mm -91.68 -28.35 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.253 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.56 -50.32 15.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -22.65 27.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.85 -20.94 44.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.03 -26.62 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.42 -44.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.53 -42.33 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.82 -30.83 78.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.5 m-85 -78.07 -24.73 47.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.27 -27.73 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.0 -20.95 63.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -112.98 -35.08 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.79 -14.73 60.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.817 ' NE1' HD11 ' A' ' 18' ' ' ILE . 9.7 t90 -101.75 -76.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.079 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.9 tp10 -38.05 -32.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.357 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . -73.59 -50.22 12.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.66 -8.76 29.84 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.465 0.744 . . . . 0.0 111.039 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.817 HD11 ' NE1' ' A' ' 14' ' ' TRP . 78.6 mt -96.58 -28.64 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tp -75.4 -50.46 15.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.8 -22.75 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.59 -21.3 44.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.54 -27.32 31.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 0.795 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.95 -43.96 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.92 -42.97 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.93 -29.97 76.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.57 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 1.1 t80 -77.98 -24.8 47.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 111.031 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.22 -26.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -21.98 64.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' A' ' 9' ' ' PHE . 11.9 p30 -113.76 -33.82 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.96 -15.11 60.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.6 t90 -101.57 -76.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 15' ' ' GLU . 1.3 pp20? -38.1 -34.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.72 -52.92 10.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -8.8 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.504 HD11 ' HE1' ' A' ' 14' ' ' TRP . 3.4 mm -97.89 -29.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.3 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 tp -75.35 -50.53 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.77 -22.73 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.45 -21.48 44.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.433 1.083 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.39 -27.38 32.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.87 -43.2 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.53 -43.54 17.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.58 -30.08 76.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.9 t80 -77.97 -24.76 47.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.77 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.97 -20.92 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -112.96 -35.09 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.62 60.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.82 -76.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 107.996 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.3 mm-40 -38.15 -33.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.44 -56.41 21.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.0 ptm -67.87 -8.81 39.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.528 HD11 ' CD1' ' A' ' 14' ' ' TRP . 89.8 mt -89.99 -30.8 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.39 -50.44 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.385 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -22.74 25.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.52 -21.41 44.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.4 -27.33 32.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.99 -43.78 2.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.76 -43.18 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.75 -29.93 76.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.563 1.165 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' ILE . 9.5 t80 -78.09 -24.76 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.1 mt -57.25 -27.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -60.98 -20.96 63.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -112.91 -35.07 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.368 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.92 -14.62 60.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.541 ' NE1' HD11 ' A' ' 18' ' ' ILE . 9.8 t90 -101.77 -76.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -38.17 -42.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.95 -51.72 57.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.408 ' O ' ' CG ' ' A' ' 17' ' ' MET . 11.6 tpp -71.5 -12.87 61.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.541 HD11 ' NE1' ' A' ' 14' ' ' TRP . 4.9 mm -90.39 -29.21 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 tp -75.41 -50.45 15.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.81 -22.72 26.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.59 -21.21 44.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.582 1.176 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.63 -27.27 31.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.87 -44.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -43.18 18.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.217 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.94 76.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.7 t80 -78.08 -24.7 47.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.35 -27.73 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.93 -20.91 62.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.623 1.202 . . . . 0.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -113.0 -35.16 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.81 -14.61 60.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.77 -76.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' TRP . 10.7 tt0 -38.08 -33.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.76 -57.74 14.95 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.3 ptp -66.76 -8.85 31.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 0.72 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mm -89.45 -33.88 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.37 1.044 . . . . 0.0 109.342 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.026 -0.83 . . . . 31.399999999999999 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 tp -75.48 -50.45 15.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 73.230000000000004 109.279 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -22.7 25.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 72.439999999999998 111.047 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.6 -21.25 44.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 72.129999999999995 111.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.27 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.72 . . . . 73.420000000000002 109.288 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.89 -44.09 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 72.239999999999995 109.289 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.77 -43.06 17.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 73.340000000000003 109.27 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.85 -29.99 76.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.149 . . . . 71.230000000000004 111.052 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.7 t80 -78.03 -24.7 47.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.471 0.747 . . . . 74.219999999999999 111.042 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.26 -27.8 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.450000000000003 109.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.89 -20.97 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 65.549999999999997 110.326 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.95 -35.08 5.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.530000000000001 109.356 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.66 60.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 64.140000000000001 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.8 -76.33 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 60.119999999999997 108.031 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -38.12 -34.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 73.409999999999997 110.282 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.75 -53.59 30.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 73.329999999999998 111.035 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.426 ' O ' ' CG ' ' A' ' 17' ' ' MET . 15.2 ttt -68.87 -8.75 46.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 75.209999999999994 110.974 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -96.95 -28.22 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 74.219999999999999 109.279 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.5 t0 45.37 72.3 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 75.420000000000002 109.255 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 25.129999999999999 111.01 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -50.48 15.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 0.725 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -22.7 26.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.65 -21.23 44.44 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.557 1.16 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.64 -27.2 31.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.01 -43.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.8 -43.05 18.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -30.01 76.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -78.06 -24.76 47.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.23 -27.85 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -20.87 62.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.02 -35.14 5.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.89 -14.57 60.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.8 -76.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 107.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' HA ' HD12 ' A' ' 18' ' ' ILE . 1.7 tp10 -38.18 -41.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.12 -47.59 71.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -67.27 -8.85 35.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.5 HD11 ' CD1' ' A' ' 14' ' ' TRP . 78.2 mt -94.28 -29.63 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.235 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -111.47 -162.76 0.81 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.944 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tp -75.4 -50.43 15.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 0.798 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.83 -22.69 26.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.69 -21.1 44.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.576 1.173 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.76 -27.21 31.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.95 -44.05 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.76 -43.09 17.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.88 -30.01 76.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.417 1.073 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' ILE . 41.8 t80 -77.99 -24.75 47.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.42 -27.65 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -61.04 -20.81 62.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -113.01 -35.17 5.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.55 60.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.83 -76.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' TRP . 49.7 mt-10 -38.13 -42.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.378 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.52 -45.66 66.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 27.8 mmm -67.09 -8.74 32.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 mt -94.26 -33.58 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -104.79 -158.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.904 0 O-C-N 124.401 1.063 . . . . 0.0 111.015 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -50.45 15.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 0.747 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -22.59 25.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.68 -21.25 44.25 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.62 -27.3 31.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.243 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.98 -43.96 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.87 -43.05 18.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -29.99 76.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' ILE . 19.1 t80 -77.97 -24.78 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.23 -27.79 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.368 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 70.6 mt-10 -61.02 -20.89 63.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -112.93 -35.13 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.86 -14.65 60.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.825 ' NE1' HD11 ' A' ' 18' ' ' ILE . 9.8 t90 -101.79 -76.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 108.026 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 11.6 pt-20 -38.18 -36.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.18 -49.05 22.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' TRP . 6.0 mtp -66.75 -8.8 30.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.825 HD11 ' NE1' ' A' ' 14' ' ' TRP . 81.5 mt -95.9 -35.81 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.26 -55.73 5.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 tp -75.41 -50.48 15.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.82 -22.72 26.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.72 -21.09 44.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.75 -27.23 31.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.93 -44.02 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.84 -42.94 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.91 -30.13 76.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -77.92 -24.69 48.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 0.8 . . . . 0.0 111.074 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.83 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -60.95 -20.91 62.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -113.0 -35.09 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.61 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.84 -76.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 108.01 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.78 ' HA ' HD12 ' A' ' 18' ' ' ILE . 11.8 pt-20 -38.12 -33.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.29 -50.98 29.55 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.604 1.19 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -67.41 -8.73 35.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 0.806 . . . . 0.0 110.925 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 15' ' ' GLU . 49.0 mt -89.94 -31.93 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -71.86 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.561 1.163 . . . . 0.0 111.057 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.31 -50.54 15.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.757 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.77 -22.72 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.18 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.77 -20.87 45.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.08 -27.14 30.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.97 -44.06 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.72 -43.06 17.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.89 -30.06 76.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -77.97 -24.77 47.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.27 -27.71 28.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.385 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 12.2 pt-20 -61.03 -20.85 63.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -113.05 -35.07 5.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.59 60.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.551 ' NE1' HD11 ' A' ' 18' ' ' ILE . 9.7 t90 -101.79 -76.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 10.2 pt-20 -38.12 -34.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.61 -50.13 26.99 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -68.24 -8.79 42.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 0.721 . . . . 0.0 111.012 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.551 HD11 ' NE1' ' A' ' 14' ' ' TRP . 66.0 mt -91.13 -30.2 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -96.01 177.48 5.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.433 1.083 . . . . 0.0 110.996 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.2 tp -75.54 -50.31 16.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 0.751 . . . . 0.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -22.66 27.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.74 -21.02 44.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.434 1.084 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.92 -27.08 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.591 0.818 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.97 -44.07 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -42.99 18.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.89 -30.05 76.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -78.02 -24.66 47.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 111.063 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.29 -27.82 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.92 -20.9 62.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -113.03 -35.1 5.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.53 60.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.87 -76.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 108.011 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.8 tm-20 -38.17 -37.44 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.64 -49.04 20.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.444 1.09 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 14' ' ' TRP . 57.2 mmm -67.58 -8.77 36.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.512 HD11 ' HE1' ' A' ' 14' ' ' TRP . 3.3 mm -98.89 -31.92 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.2 t0 73.25 101.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.27 -50.5 15.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.371 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.76 -22.75 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.9 -20.81 45.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.04 -27.13 30.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.9 -44.09 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.82 -43.04 18.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -29.92 76.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.419 1.074 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.0 t80 -78.15 -24.68 47.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 0.788 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.83 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -20.87 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.99 -35.13 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.54 60.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.84 -76.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' TRP . 6.8 tt0 -38.14 -38.44 0.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 110.209 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.82 -48.5 48.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' TRP . 7.2 mtt -66.66 -8.83 30.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mm -94.39 -29.07 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -162.48 98.34 1.01 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.26 -50.49 15.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 0.814 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.81 -22.76 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.86 -20.66 45.95 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.57 1.169 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.25 -27.16 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 109.216 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.9 -43.92 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.86 -42.97 18.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.93 -29.96 76.09 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.556 1.16 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -78.05 -24.79 47.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 110.936 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.22 -27.83 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.9 -20.99 62.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -113.05 -34.99 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.64 60.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.82 -76.28 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' TRP . 13.8 mm-40 -38.17 -34.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.01 -49.9 20.23 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' TRP . 1.6 mtm -67.8 -8.88 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.427 HD11 ' HE1' ' A' ' 14' ' ' TRP . 3.3 mm -98.92 -28.41 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 69.93 54.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.7 tp -75.48 -50.41 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 0.731 . . . . 0.0 109.384 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.84 -22.75 26.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.83 -20.68 46.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.19 -27.21 30.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.91 -43.99 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.84 -43.02 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.9 -29.9 76.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 6' ' ' ILE . 16.1 t80 -78.12 -24.68 47.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.1 mt -57.39 -27.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.98 -20.92 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -112.93 -35.13 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.86 -14.63 60.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.74 -76.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' TRP . 81.9 tt0 -38.09 -42.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.96 70.24 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 14' ' ' TRP . 4.0 ttt -67.46 -8.78 36.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -94.79 -39.67 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 40.93 87.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.54 1.15 . . . . 0.0 110.945 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.41 -50.5 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 0.812 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.77 -22.73 25.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.86 -20.62 46.17 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.29 -27.13 30.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.86 -43.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.17 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.252 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.75 75.73 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -78.26 -24.73 46.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.36 -27.67 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.99 -20.96 63.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 110.272 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -112.98 -35.05 5.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.58 60.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.94 -76.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.1 tm-20 -38.15 -34.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.0 -50.9 26.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.557 1.16 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.41 -8.86 28.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 0.802 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -95.06 -39.48 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.61 70.55 3.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 2' ' ' LEU . 8.8 tp -75.19 -50.65 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.736 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.69 -22.78 24.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.0 -20.44 46.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.58 -26.95 29.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.5 mt -44.99 -44.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.87 -43.02 18.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.96 -29.79 75.73 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -78.29 -24.68 46.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 110.958 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.31 -27.79 29.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.96 -20.83 62.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -113.01 -35.16 5.5 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.88 -14.59 60.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.79 -76.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 107.972 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -38.05 -34.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.48 -53.07 26.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 14' ' ' TRP . 31.4 mtt -69.65 -8.73 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.499 HD11 ' NE1' ' A' ' 14' ' ' TRP . 3.6 mm -94.48 -28.98 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.37 86.85 3.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.55 -50.37 15.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 0.723 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.87 -22.74 26.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.02 -20.51 46.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.4 -26.87 30.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.99 -44.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.83 -42.87 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.02 76.17 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 t80 -78.01 -24.78 47.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.32 -27.73 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.96 -20.86 62.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -113.01 -35.14 5.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.77 -14.7 60.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.77 -76.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -38.12 -43.47 0.75 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.75 -46.62 82.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.568 1.168 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.66 -8.82 30.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 111.076 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.431 HD11 ' NE1' ' A' ' 14' ' ' TRP . 45.7 mt -95.21 -29.94 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.99 100.17 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.552 1.158 . . . . 0.0 111.004 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 tp -75.34 -50.53 15.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -22.74 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.041 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.58 -21.25 44.64 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.58 -27.32 31.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 0.821 . . . . 0.0 109.368 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.96 -43.92 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -43.06 18.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.77 -30.11 76.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 t80 -77.98 -24.75 47.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 111.016 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.538 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.31 -27.75 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -60.99 -20.88 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.03 -35.05 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.55 60.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.538 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.75 -76.29 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 108.005 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 18' ' ' ILE . 1.5 pp20? -38.05 -36.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.98 -47.43 13.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' TRP . 10.0 mmt -66.71 -8.85 30.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.754 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.529 HD11 ' CD1' ' A' ' 14' ' ' TRP . 86.7 mt -89.4 -30.64 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.36 65.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.416 1.073 . . . . 0.0 111.01 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 tp -75.51 -50.34 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -22.66 26.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.93 -20.8 45.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.443 1.089 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.1 -26.67 30.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.53 -43.94 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.63 -42.23 15.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.84 -30.95 78.24 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.4 m-85 -77.98 -24.72 47.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.24 -27.82 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 2.0 mm-40 -60.96 -20.86 62.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -113.0 -35.15 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.8 -14.69 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.77 -76.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 16' ' ' GLY . 13.7 pt-20 -38.15 -42.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.433 ' N ' ' CG ' ' A' ' 15' ' ' GLU . . . -68.24 -45.95 67.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' TRP . 11.3 mtp -66.42 -8.8 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mm -91.68 -28.35 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -126.08 -156.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.561 1.163 . . . . 0.0 110.961 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.56 -50.32 15.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -22.65 27.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.85 -20.94 44.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.03 -26.62 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.42 -44.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.53 -42.33 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.82 -30.83 78.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.5 m-85 -78.07 -24.73 47.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.27 -27.73 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.0 -20.95 63.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -112.98 -35.08 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.79 -14.73 60.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.817 ' NE1' HD11 ' A' ' 18' ' ' ILE . 9.7 t90 -101.75 -76.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.079 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.9 tp10 -38.05 -32.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.357 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . -73.59 -50.22 12.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.66 -8.76 29.84 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.465 0.744 . . . . 0.0 111.039 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.817 HD11 ' NE1' ' A' ' 14' ' ' TRP . 78.6 mt -96.58 -28.64 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.35 49.03 10.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tp -75.4 -50.46 15.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.8 -22.75 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.59 -21.3 44.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.54 -27.32 31.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 0.795 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.95 -43.96 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.92 -42.97 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.93 -29.97 76.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.57 ' O ' ' ND2' ' A' ' 12' ' ' ASN . 1.1 t80 -77.98 -24.8 47.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 111.031 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.22 -26.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -21.98 64.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' A' ' 9' ' ' PHE . 11.9 p30 -113.76 -33.82 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.96 -15.11 60.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.6 t90 -101.57 -76.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 15' ' ' GLU . 1.3 pp20? -38.1 -34.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.72 -52.92 10.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -8.8 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.504 HD11 ' HE1' ' A' ' 14' ' ' TRP . 3.4 mm -97.89 -29.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -68.51 -25.64 65.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 tp -75.35 -50.53 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.77 -22.73 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.45 -21.48 44.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.433 1.083 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.39 -27.38 32.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.87 -43.2 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.53 -43.54 17.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.58 -30.08 76.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.9 t80 -77.97 -24.76 47.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.77 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.97 -20.92 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -112.96 -35.09 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.62 60.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.82 -76.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 107.996 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.3 mm-40 -38.15 -33.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.44 -56.41 21.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.0 ptm -67.87 -8.81 39.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.528 HD11 ' CD1' ' A' ' 14' ' ' TRP . 89.8 mt -89.99 -30.8 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.61 80.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.39 -50.44 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.385 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -22.74 25.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.52 -21.41 44.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.4 -27.33 32.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.99 -43.78 2.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.76 -43.18 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.75 -29.93 76.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.563 1.165 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' ILE . 9.5 t80 -78.09 -24.76 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.1 mt -57.25 -27.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -60.98 -20.96 63.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -112.91 -35.07 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.368 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.92 -14.62 60.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.541 ' NE1' HD11 ' A' ' 18' ' ' ILE . 9.8 t90 -101.77 -76.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -38.17 -42.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.95 -51.72 57.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.408 ' O ' ' CG ' ' A' ' 17' ' ' MET . 11.6 tpp -71.5 -12.87 61.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.541 HD11 ' NE1' ' A' ' 14' ' ' TRP . 4.9 mm -90.39 -29.21 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER -137.51 90.4 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 tp -75.41 -50.45 15.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.81 -22.72 26.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.59 -21.21 44.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.582 1.176 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.63 -27.27 31.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.87 -44.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -43.18 18.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.217 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.94 76.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.7 t80 -78.08 -24.7 47.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.35 -27.73 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.93 -20.91 62.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.623 1.202 . . . . 0.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -113.0 -35.16 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.81 -14.61 60.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.77 -76.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' TRP . 10.7 tt0 -38.08 -33.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.76 -57.74 14.95 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.3 ptp -66.76 -8.85 31.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 0.72 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mm -89.45 -33.88 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -104.65 173.1 6.45 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.37 1.044 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.026 -0.83 . . . . 31.399999999999999 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 tp -75.48 -50.45 15.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 73.230000000000004 109.279 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -22.7 25.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 72.439999999999998 111.047 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.6 -21.25 44.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 72.129999999999995 111.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.27 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.72 . . . . 73.420000000000002 109.288 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.89 -44.09 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 72.239999999999995 109.289 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.77 -43.06 17.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 73.340000000000003 109.27 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.85 -29.99 76.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.149 . . . . 71.230000000000004 111.052 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.7 t80 -78.03 -24.7 47.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.471 0.747 . . . . 74.219999999999999 111.042 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.26 -27.8 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.450000000000003 109.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.89 -20.97 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 65.549999999999997 110.326 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.95 -35.08 5.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.530000000000001 109.356 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.66 60.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 64.140000000000001 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.8 -76.33 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 60.119999999999997 108.031 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -38.12 -34.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 73.409999999999997 110.282 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.75 -53.59 30.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 73.329999999999998 111.035 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.426 ' O ' ' CG ' ' A' ' 17' ' ' MET . 15.2 ttt -68.87 -8.75 46.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 75.209999999999994 110.974 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -96.95 -28.22 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 74.219999999999999 109.279 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 75.420000000000002 109.255 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -50.48 15.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 0.725 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -22.7 26.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.65 -21.23 44.44 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.557 1.16 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.64 -27.2 31.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.01 -43.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.8 -43.05 18.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -30.01 76.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -78.06 -24.76 47.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.23 -27.85 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -20.87 62.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.02 -35.14 5.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.89 -14.57 60.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.8 -76.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 107.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.42 ' HA ' HD12 ' A' ' 18' ' ' ILE . 1.7 tp10 -38.18 -41.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.12 -47.59 71.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -67.27 -8.85 35.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.5 HD11 ' CD1' ' A' ' 14' ' ' TRP . 78.2 mt -94.28 -29.63 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.235 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tp -75.4 -50.43 15.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 0.798 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.83 -22.69 26.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.69 -21.1 44.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.576 1.173 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.76 -27.21 31.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.95 -44.05 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.76 -43.09 17.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.88 -30.01 76.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.417 1.073 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' ILE . 41.8 t80 -77.99 -24.75 47.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.42 -27.65 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -61.04 -20.81 62.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -113.01 -35.17 5.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.55 60.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.83 -76.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' TRP . 49.7 mt-10 -38.13 -42.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.378 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.52 -45.66 66.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 27.8 mmm -67.09 -8.74 32.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 mt -94.26 -33.58 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -50.45 15.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 0.747 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -22.59 25.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.68 -21.25 44.25 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.62 -27.3 31.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.243 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.98 -43.96 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.87 -43.05 18.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -29.99 76.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' ILE . 19.1 t80 -77.97 -24.78 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.23 -27.79 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.368 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 70.6 mt-10 -61.02 -20.89 63.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -112.93 -35.13 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.86 -14.65 60.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.825 ' NE1' HD11 ' A' ' 18' ' ' ILE . 9.8 t90 -101.79 -76.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 108.026 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 11.6 pt-20 -38.18 -36.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.18 -49.05 22.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' TRP . 6.0 mtp -66.75 -8.8 30.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.825 HD11 ' NE1' ' A' ' 14' ' ' TRP . 81.5 mt -95.9 -35.81 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 t70 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 tp -75.41 -50.48 15.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.82 -22.72 26.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.72 -21.09 44.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.75 -27.23 31.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.93 -44.02 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.84 -42.94 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.91 -30.13 76.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -77.92 -24.69 48.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 0.8 . . . . 0.0 111.074 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.83 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -60.95 -20.91 62.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -113.0 -35.09 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.61 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.84 -76.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 108.01 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.78 ' HA ' HD12 ' A' ' 18' ' ' ILE . 11.8 pt-20 -38.12 -33.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.29 -50.98 29.55 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.604 1.19 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -67.41 -8.73 35.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 0.806 . . . . 0.0 110.925 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 15' ' ' GLU . 49.0 mt -89.94 -31.93 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.31 -50.54 15.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.757 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.77 -22.72 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.18 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.77 -20.87 45.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.08 -27.14 30.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.97 -44.06 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.72 -43.06 17.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.89 -30.06 76.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -77.97 -24.77 47.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.27 -27.71 28.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.385 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 12.2 pt-20 -61.03 -20.85 63.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -113.05 -35.07 5.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.59 60.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.551 ' NE1' HD11 ' A' ' 18' ' ' ILE . 9.7 t90 -101.79 -76.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 10.2 pt-20 -38.12 -34.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.61 -50.13 26.99 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -68.24 -8.79 42.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 0.721 . . . . 0.0 111.012 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.551 HD11 ' NE1' ' A' ' 14' ' ' TRP . 66.0 mt -91.13 -30.2 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.2 tp -75.54 -50.31 16.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 0.751 . . . . 0.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -22.66 27.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.74 -21.02 44.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.434 1.084 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.92 -27.08 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.591 0.818 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.97 -44.07 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -42.99 18.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.89 -30.05 76.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -78.02 -24.66 47.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 111.063 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.29 -27.82 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.92 -20.9 62.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -113.03 -35.1 5.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.53 60.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.87 -76.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 108.011 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.8 tm-20 -38.17 -37.44 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.64 -49.04 20.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.444 1.09 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 14' ' ' TRP . 57.2 mmm -67.58 -8.77 36.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.512 HD11 ' HE1' ' A' ' 14' ' ' TRP . 3.3 mm -98.89 -31.92 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.2 t0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.347 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.27 -50.5 15.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.371 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.76 -22.75 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.9 -20.81 45.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.04 -27.13 30.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.9 -44.09 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.82 -43.04 18.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -29.92 76.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.419 1.074 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.0 t80 -78.15 -24.68 47.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 0.788 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.83 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -20.87 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.99 -35.13 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.54 60.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.84 -76.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' TRP . 6.8 tt0 -38.14 -38.44 0.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 110.209 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.82 -48.5 48.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' TRP . 7.2 mtt -66.66 -8.83 30.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mm -94.39 -29.07 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.26 -50.49 15.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 0.814 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.81 -22.76 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.86 -20.66 45.95 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.57 1.169 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.25 -27.16 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 109.216 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.9 -43.92 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.86 -42.97 18.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.93 -29.96 76.09 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.556 1.16 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -78.05 -24.79 47.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 110.936 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.22 -27.83 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.9 -20.99 62.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -113.05 -34.99 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.64 60.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.82 -76.28 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' TRP . 13.8 mm-40 -38.17 -34.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.01 -49.9 20.23 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' TRP . 1.6 mtm -67.8 -8.88 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.427 HD11 ' HE1' ' A' ' 14' ' ' TRP . 3.3 mm -98.92 -28.41 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.7 tp -75.48 -50.41 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 0.731 . . . . 0.0 109.384 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.84 -22.75 26.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.83 -20.68 46.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.19 -27.21 30.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.91 -43.99 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.84 -43.02 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.9 -29.9 76.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 6' ' ' ILE . 16.1 t80 -78.12 -24.68 47.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.1 mt -57.39 -27.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.98 -20.92 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -112.93 -35.13 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.86 -14.63 60.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.74 -76.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' TRP . 81.9 tt0 -38.09 -42.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.96 70.24 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 14' ' ' TRP . 4.0 ttt -67.46 -8.78 36.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -94.79 -39.67 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.41 -50.5 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 0.812 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.77 -22.73 25.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.86 -20.62 46.17 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.29 -27.13 30.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.86 -43.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.17 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.252 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.75 75.73 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -78.26 -24.73 46.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.36 -27.67 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.99 -20.96 63.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 110.272 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -112.98 -35.05 5.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.58 60.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.94 -76.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.1 tm-20 -38.15 -34.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.0 -50.9 26.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.557 1.16 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.41 -8.86 28.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 0.802 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -95.06 -39.48 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 2' ' ' LEU . 8.8 tp -75.19 -50.65 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.736 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.69 -22.78 24.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.0 -20.44 46.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.58 -26.95 29.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.5 mt -44.99 -44.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.87 -43.02 18.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.96 -29.79 75.73 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -78.29 -24.68 46.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 110.958 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.31 -27.79 29.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.96 -20.83 62.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -113.01 -35.16 5.5 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.88 -14.59 60.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.79 -76.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 107.972 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -38.05 -34.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.48 -53.07 26.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 14' ' ' TRP . 31.4 mtt -69.65 -8.73 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.499 HD11 ' NE1' ' A' ' 14' ' ' TRP . 3.6 mm -94.48 -28.98 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.55 -50.37 15.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 0.723 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.87 -22.74 26.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.02 -20.51 46.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.4 -26.87 30.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.99 -44.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.83 -42.87 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.02 76.17 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 t80 -78.01 -24.78 47.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.32 -27.73 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.96 -20.86 62.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -113.01 -35.14 5.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.77 -14.7 60.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.77 -76.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -38.12 -43.47 0.75 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.75 -46.62 82.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.568 1.168 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.66 -8.82 30.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 111.076 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.431 HD11 ' NE1' ' A' ' 14' ' ' TRP . 45.7 mt -95.21 -29.94 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 tp -75.34 -50.53 15.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -22.74 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.041 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.58 -21.25 44.64 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.58 -27.32 31.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 0.821 . . . . 0.0 109.368 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.96 -43.92 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -43.06 18.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.77 -30.11 76.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 t80 -77.98 -24.75 47.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 111.016 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.538 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.31 -27.75 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -60.99 -20.88 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.03 -35.05 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.55 60.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.538 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.75 -76.29 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 108.005 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 18' ' ' ILE . 1.5 pp20? -38.05 -36.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.98 -47.43 13.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' TRP . 10.0 mmt -66.71 -8.85 30.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.754 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.529 HD11 ' CD1' ' A' ' 14' ' ' TRP . 86.7 mt -89.4 -30.64 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 tp -75.51 -50.34 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -22.66 26.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.93 -20.8 45.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.443 1.089 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.1 -26.67 30.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.53 -43.94 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.63 -42.23 15.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.84 -30.95 78.24 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.4 m-85 -77.98 -24.72 47.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.24 -27.82 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 2.0 mm-40 -60.96 -20.86 62.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.621 HD22 ' N ' ' A' ' 12' ' ' ASN . 1.3 m-80 -113.0 -35.15 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.8 -14.69 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.77 -76.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 16' ' ' GLY . 13.7 pt-20 -38.15 -42.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.433 ' N ' ' CG ' ' A' ' 15' ' ' GLU . . . -68.24 -45.95 67.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' TRP . 11.3 mtp -66.42 -8.8 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mm -91.68 -28.35 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.253 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.56 -50.32 15.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -22.65 27.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.85 -20.94 44.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.03 -26.62 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.42 -44.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.53 -42.33 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.82 -30.83 78.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.5 m-85 -78.07 -24.73 47.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.27 -27.73 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.0 -20.95 63.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -112.98 -35.08 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.79 -14.73 60.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.817 ' NE1' HD11 ' A' ' 18' ' ' ILE . 9.7 t90 -101.75 -76.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.079 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.9 tp10 -38.05 -32.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.357 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . -73.59 -50.22 12.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.66 -8.76 29.84 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.465 0.744 . . . . 0.0 111.039 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.817 HD11 ' NE1' ' A' ' 14' ' ' TRP . 78.6 mt -96.58 -28.64 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tp -75.4 -50.46 15.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.8 -22.75 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.59 -21.3 44.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.54 -27.32 31.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 0.795 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.95 -43.96 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.92 -42.97 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.93 -29.97 76.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.1 t80 -77.98 -24.8 47.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 111.031 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.22 -26.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -21.98 64.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.45 ' ND2' ' C ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -113.76 -33.82 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.434 ' N ' ' ND2' ' A' ' 12' ' ' ASN . . . -75.96 -15.11 60.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.6 t90 -101.57 -76.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 15' ' ' GLU . 1.3 pp20? -38.1 -34.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.72 -52.92 10.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -8.8 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.504 HD11 ' HE1' ' A' ' 14' ' ' TRP . 3.4 mm -97.89 -29.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.3 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 tp -75.35 -50.53 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.77 -22.73 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.45 -21.48 44.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.433 1.083 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.39 -27.38 32.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.87 -43.2 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.53 -43.54 17.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.58 -30.08 76.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.9 t80 -77.97 -24.76 47.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.77 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.97 -20.92 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -112.96 -35.09 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.62 60.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.82 -76.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 107.996 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.3 mm-40 -38.15 -33.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.44 -56.41 21.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.0 ptm -67.87 -8.81 39.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.528 HD11 ' CD1' ' A' ' 14' ' ' TRP . 89.8 mt -89.99 -30.8 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.39 -50.44 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.385 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -22.74 25.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.52 -21.41 44.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.4 -27.33 32.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.99 -43.78 2.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.76 -43.18 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.75 -29.93 76.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.563 1.165 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' ILE . 9.5 t80 -78.09 -24.76 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.1 mt -57.25 -27.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -60.98 -20.96 63.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.444 HD22 ' N ' ' A' ' 12' ' ' ASN . 1.7 m-80 -112.91 -35.07 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.368 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.92 -14.62 60.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.541 ' NE1' HD11 ' A' ' 18' ' ' ILE . 9.8 t90 -101.77 -76.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -38.17 -42.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.95 -51.72 57.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.408 ' O ' ' CG ' ' A' ' 17' ' ' MET . 11.6 tpp -71.5 -12.87 61.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.541 HD11 ' NE1' ' A' ' 14' ' ' TRP . 4.9 mm -90.39 -29.21 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 tp -75.41 -50.45 15.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.81 -22.72 26.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.59 -21.21 44.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.582 1.176 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.63 -27.27 31.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.87 -44.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -43.18 18.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.217 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.94 76.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.7 t80 -78.08 -24.7 47.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.35 -27.73 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.93 -20.91 62.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.623 1.202 . . . . 0.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -113.0 -35.16 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.81 -14.61 60.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.77 -76.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' TRP . 10.7 tt0 -38.08 -33.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.76 -57.74 14.95 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.3 ptp -66.76 -8.85 31.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 0.72 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mm -89.45 -33.88 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.37 1.044 . . . . 0.0 109.342 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.026 -0.83 . . . . 31.399999999999999 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 tp -75.48 -50.45 15.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 73.230000000000004 109.279 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -22.7 25.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 72.439999999999998 111.047 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.6 -21.25 44.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 72.129999999999995 111.007 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.55 -27.27 31.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.72 . . . . 73.420000000000002 109.288 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.89 -44.09 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 72.239999999999995 109.289 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.77 -43.06 17.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 73.340000000000003 109.27 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.85 -29.99 76.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.539 1.149 . . . . 71.230000000000004 111.052 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.7 t80 -78.03 -24.7 47.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.471 0.747 . . . . 74.219999999999999 111.042 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.26 -27.8 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.450000000000003 109.32 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.89 -20.97 62.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 65.549999999999997 110.326 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.95 -35.08 5.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.530000000000001 109.356 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.66 60.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 64.140000000000001 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.8 -76.33 0.57 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 60.119999999999997 108.031 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -38.12 -34.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 73.409999999999997 110.282 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.75 -53.59 30.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 73.329999999999998 111.035 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.426 ' O ' ' CG ' ' A' ' 17' ' ' MET . 15.2 ttt -68.87 -8.75 46.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 0.752 . . . . 75.209999999999994 110.974 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -96.95 -28.22 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 74.219999999999999 109.279 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.5 t0 45.37 72.3 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 75.420000000000002 109.255 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.459 1.099 . . . . 25.129999999999999 111.01 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -50.48 15.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 0.725 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.85 -22.7 26.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.65 -21.23 44.44 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.557 1.16 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.64 -27.2 31.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.01 -43.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.8 -43.05 18.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -30.01 76.25 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -78.06 -24.76 47.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.97 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.23 -27.85 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -20.87 62.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.02 -35.14 5.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.89 -14.57 60.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.8 -76.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 107.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' HA ' HD12 ' A' ' 18' ' ' ILE . 1.7 tp10 -38.18 -41.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.12 -47.59 71.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -67.27 -8.85 35.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 110.995 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.5 HD11 ' CD1' ' A' ' 14' ' ' TRP . 78.2 mt -94.28 -29.63 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.235 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -111.47 -162.76 0.81 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 110.944 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tp -75.4 -50.43 15.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 0.798 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.83 -22.69 26.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.69 -21.1 44.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.576 1.173 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.76 -27.21 31.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.95 -44.05 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.76 -43.09 17.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.88 -30.01 76.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.417 1.073 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' A' ' 6' ' ' ILE . 41.8 t80 -77.99 -24.75 47.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.764 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.42 -27.65 29.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -61.04 -20.81 62.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -113.01 -35.17 5.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.55 60.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.83 -76.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' TRP . 49.7 mt-10 -38.13 -42.82 0.7 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 110.378 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.52 -45.66 66.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 27.8 mmm -67.09 -8.74 32.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 110.939 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.3 mt -94.26 -33.58 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -104.79 -158.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.904 0 O-C-N 124.401 1.063 . . . . 0.0 111.015 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.55 -50.45 15.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 0.747 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -22.59 25.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.426 1.079 . . . . 0.0 111.039 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.68 -21.25 44.25 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.62 -27.3 31.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.243 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.98 -43.96 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.87 -43.05 18.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -29.99 76.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' ILE . 19.1 t80 -77.97 -24.78 47.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 0.732 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.23 -27.79 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.368 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 70.6 mt-10 -61.02 -20.89 63.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -112.93 -35.13 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.86 -14.65 60.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.825 ' NE1' HD11 ' A' ' 18' ' ' ILE . 9.8 t90 -101.79 -76.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 108.026 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 11.6 pt-20 -38.18 -36.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.18 -49.05 22.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' TRP . 6.0 mtp -66.75 -8.8 30.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.753 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.825 HD11 ' NE1' ' A' ' 14' ' ' TRP . 81.5 mt -95.9 -35.81 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -76.26 -55.73 5.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.101 . . . . 0.0 110.992 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 tp -75.41 -50.48 15.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.82 -22.72 26.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.72 -21.09 44.7 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.75 -27.23 31.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.93 -44.02 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.84 -42.94 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.91 -30.13 76.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.0 OUTLIER -77.92 -24.69 48.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 0.8 . . . . 0.0 111.074 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.83 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -60.95 -20.91 62.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -113.0 -35.09 5.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.61 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.84 -76.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 108.01 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.78 ' HA ' HD12 ' A' ' 18' ' ' ILE . 11.8 pt-20 -38.12 -33.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.29 -50.98 29.55 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.604 1.19 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -67.41 -8.73 35.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 0.806 . . . . 0.0 110.925 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 15' ' ' GLU . 49.0 mt -89.94 -31.93 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -71.86 0.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.561 1.163 . . . . 0.0 111.057 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.31 -50.54 15.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 0.757 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.77 -22.72 25.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.18 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.77 -20.87 45.38 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.08 -27.14 30.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.286 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.97 -44.06 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.72 -43.06 17.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.89 -30.06 76.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.436 1.085 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -77.97 -24.77 47.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.27 -27.71 28.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 0.0 109.385 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 12.2 pt-20 -61.03 -20.85 63.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -113.05 -35.07 5.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.59 60.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.551 ' NE1' HD11 ' A' ' 18' ' ' ILE . 9.7 t90 -101.79 -76.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 107.98 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 11' ' ' GLU . 10.2 pt-20 -38.12 -34.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.61 -50.13 26.99 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -68.24 -8.79 42.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 0.721 . . . . 0.0 111.012 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.551 HD11 ' NE1' ' A' ' 14' ' ' TRP . 66.0 mt -91.13 -30.2 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -96.01 177.48 5.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.433 1.083 . . . . 0.0 110.996 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.2 tp -75.54 -50.31 16.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 0.751 . . . . 0.0 109.303 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -22.66 27.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.74 -21.02 44.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.434 1.084 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.92 -27.08 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.591 0.818 . . . . 0.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.97 -44.07 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -42.99 18.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.89 -30.05 76.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.3 OUTLIER -78.02 -24.66 47.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 111.063 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.29 -27.82 29.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -60.92 -20.9 62.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -113.03 -35.1 5.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.53 60.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.87 -76.38 0.57 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 108.011 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.8 tm-20 -38.17 -37.44 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.64 -49.04 20.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.444 1.09 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 14' ' ' TRP . 57.2 mmm -67.58 -8.77 36.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 0.751 . . . . 0.0 110.988 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.512 HD11 ' HE1' ' A' ' 14' ' ' TRP . 3.3 mm -98.89 -31.92 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.2 t0 73.25 101.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tp -75.27 -50.5 15.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.371 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.76 -22.75 25.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.9 -20.81 45.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.04 -27.13 30.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.9 -44.09 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.82 -43.04 18.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.86 -29.92 76.06 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.419 1.074 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.0 t80 -78.15 -24.68 47.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 0.788 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.83 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.41 1.069 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -20.87 62.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.99 -35.13 5.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.54 60.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.84 -76.37 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' TRP . 6.8 tt0 -38.14 -38.44 0.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 0.0 110.209 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.82 -48.5 48.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.93 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' TRP . 7.2 mtt -66.66 -8.83 30.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mm -94.39 -29.07 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -162.48 98.34 1.01 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.26 -50.49 15.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 0.814 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.81 -22.76 26.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.86 -20.66 45.95 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.57 1.169 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.25 -27.16 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 109.216 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.9 -43.92 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.86 -42.97 18.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.93 -29.96 76.09 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.556 1.16 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -78.05 -24.79 47.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 0.742 . . . . 0.0 110.936 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.22 -27.83 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.9 -20.99 62.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -113.05 -34.99 5.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -14.64 60.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.82 -76.28 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 14' ' ' TRP . 13.8 mm-40 -38.17 -34.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.01 -49.9 20.23 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' TRP . 1.6 mtm -67.8 -8.88 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.427 HD11 ' HE1' ' A' ' 14' ' ' TRP . 3.3 mm -98.92 -28.41 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t70 69.93 54.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.7 tp -75.48 -50.41 15.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 0.731 . . . . 0.0 109.384 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.84 -22.75 26.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.83 -20.68 46.0 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.19 -27.21 30.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.271 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.91 -43.99 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.35 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.84 -43.02 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.9 -29.9 76.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 111.054 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 6' ' ' ILE . 16.1 t80 -78.12 -24.68 47.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.994 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.1 mt -57.39 -27.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.98 -20.92 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -112.93 -35.13 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.86 -14.63 60.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.74 -76.4 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' TRP . 81.9 tt0 -38.09 -42.16 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.357 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.96 70.24 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.431 ' N ' ' O ' ' A' ' 14' ' ' TRP . 4.0 ttt -67.46 -8.78 36.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.763 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mm -94.79 -39.67 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 40.93 87.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.54 1.15 . . . . 0.0 110.945 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.41 -50.5 15.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 0.812 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -55.77 -22.73 25.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.86 -20.62 46.17 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.489 1.118 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.29 -27.13 30.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.86 -43.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.91 -43.17 18.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.252 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.75 75.73 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -78.26 -24.73 46.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 0.743 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.36 -27.67 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.99 -20.96 63.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 110.272 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -112.98 -35.05 5.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.58 60.26 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.536 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.94 -76.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.1 tm-20 -38.15 -34.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.0 -50.9 26.28 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.557 1.16 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.41 -8.86 28.56 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.564 0.802 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mm -95.06 -39.48 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -76.61 70.55 3.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 2' ' ' LEU . 8.8 tp -75.19 -50.65 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 0.736 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.69 -22.78 24.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.117 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.0 -20.44 46.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.58 -26.95 29.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.5 mt -44.99 -44.16 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.135 . . . . 0.0 109.236 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.87 -43.02 18.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.96 -29.79 75.73 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.4 OUTLIER -78.29 -24.68 46.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 0.778 . . . . 0.0 110.958 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.31 -27.79 29.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.96 -20.83 62.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -113.01 -35.16 5.5 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.88 -14.59 60.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.79 -76.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 107.972 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -38.05 -34.12 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.48 -53.07 26.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 14' ' ' TRP . 31.4 mtt -69.65 -8.73 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.499 HD11 ' NE1' ' A' ' 14' ' ' TRP . 3.6 mm -94.48 -28.98 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -97.37 86.85 3.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.53 1.144 . . . . 0.0 110.967 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.55 -50.37 15.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.428 0.723 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -55.87 -22.74 26.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.02 -20.51 46.08 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.552 1.157 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.4 -26.87 30.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.99 -44.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.83 -42.87 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.01 -30.02 76.17 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.1 t80 -78.01 -24.78 47.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.32 -27.73 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.96 -20.86 62.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.344 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -113.01 -35.14 5.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.77 -14.7 60.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.77 -76.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -38.12 -43.47 0.75 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.75 -46.62 82.2 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.568 1.168 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.66 -8.82 30.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 111.076 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.431 HD11 ' NE1' ' A' ' 14' ' ' TRP . 45.7 mt -95.21 -29.94 4.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.99 100.17 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.353 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.552 1.158 . . . . 0.0 111.004 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 tp -75.34 -50.53 15.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.77 -22.74 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.041 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.58 -21.25 44.64 Favored Glycine 0 CA--C 1.532 1.13 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.58 -27.32 31.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.596 0.821 . . . . 0.0 109.368 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.96 -43.92 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -43.06 18.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.77 -30.11 76.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.2 t80 -77.98 -24.75 47.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.754 . . . . 0.0 111.016 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.538 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.31 -27.75 28.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -60.99 -20.88 62.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.03 -35.05 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.9 -14.55 60.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.538 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.75 -76.29 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 108.005 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HA ' HD12 ' A' ' 18' ' ' ILE . 1.5 pp20? -38.05 -36.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.98 -47.43 13.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 14' ' ' TRP . 10.0 mmt -66.71 -8.85 30.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.754 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.529 HD11 ' CD1' ' A' ' 14' ' ' TRP . 86.7 mt -89.4 -30.64 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.36 65.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.416 1.073 . . . . 0.0 111.01 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 tp -75.51 -50.34 15.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.83 -22.66 26.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.93 -20.8 45.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.443 1.089 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.1 -26.67 30.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.53 -43.94 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.63 -42.23 15.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.84 -30.95 78.24 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.4 m-85 -77.98 -24.72 47.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.24 -27.82 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 2.0 mm-40 -60.96 -20.86 62.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.621 HD22 ' N ' ' A' ' 12' ' ' ASN . 1.3 m-80 -113.0 -35.15 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.8 -14.69 60.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.77 -76.32 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 16' ' ' GLY . 13.7 pt-20 -38.15 -42.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.433 ' N ' ' CG ' ' A' ' 15' ' ' GLU . . . -68.24 -45.95 67.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' TRP . 11.3 mtp -66.42 -8.8 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mm -91.68 -28.35 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -126.08 -156.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.561 1.163 . . . . 0.0 110.961 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.56 -50.32 15.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.736 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -22.65 27.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.85 -20.94 44.81 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.03 -26.62 31.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -45.42 -44.08 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.53 -42.33 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.82 -30.83 78.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 2.5 m-85 -78.07 -24.73 47.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.27 -27.73 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.0 -20.95 63.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -112.98 -35.08 5.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.79 -14.73 60.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.817 ' NE1' HD11 ' A' ' 18' ' ' ILE . 9.7 t90 -101.75 -76.32 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.079 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.9 tp10 -38.05 -32.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 110.357 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' TRP . . . -73.59 -50.22 12.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.47 1.106 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -66.66 -8.76 29.84 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.465 0.744 . . . . 0.0 111.039 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.817 HD11 ' NE1' ' A' ' 14' ' ' TRP . 78.6 mt -96.58 -28.64 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.227 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.35 49.03 10.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tp -75.4 -50.46 15.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.8 -22.75 26.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.59 -21.3 44.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.54 -27.32 31.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 0.795 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.95 -43.96 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.92 -42.97 18.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.93 -29.97 76.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.1 t80 -77.98 -24.8 47.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 0.779 . . . . 0.0 111.031 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.22 -26.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -21.98 64.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.45 ' ND2' ' C ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -113.76 -33.82 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.434 ' N ' ' ND2' ' A' ' 12' ' ' ASN . . . -75.96 -15.11 60.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.362 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.537 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.6 t90 -101.57 -76.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 108.005 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' C ' ' CD ' ' A' ' 15' ' ' GLU . 1.3 pp20? -38.1 -34.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.72 -52.92 10.61 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -8.8 32.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 0.777 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.504 HD11 ' HE1' ' A' ' 14' ' ' TRP . 3.4 mm -97.89 -29.61 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -68.51 -25.64 65.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 tp -75.35 -50.53 15.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -55.77 -22.73 25.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 111.05 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.45 -21.48 44.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.433 1.083 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.39 -27.38 32.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.87 -43.2 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.53 -43.54 17.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.58 -30.08 76.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.9 t80 -77.97 -24.76 47.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 0.73 . . . . 0.0 110.983 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.3 -27.77 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.97 -20.92 62.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -112.96 -35.09 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.91 -14.62 60.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.7 t90 -101.82 -76.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 107.996 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' TRP . 1.3 mm-40 -38.15 -33.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.44 -56.41 21.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.0 ptm -67.87 -8.81 39.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.528 HD11 ' CD1' ' A' ' 14' ' ' TRP . 89.8 mt -89.99 -30.8 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.61 80.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.39 -50.44 15.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.385 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.78 -22.74 25.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 111.083 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.52 -21.41 44.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.4 -27.33 32.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.757 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.99 -43.78 2.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.76 -43.18 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.75 -29.93 76.16 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.563 1.165 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 6' ' ' ILE . 9.5 t80 -78.09 -24.76 47.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 0.739 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.1 mt -57.25 -27.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -60.98 -20.96 63.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.444 HD22 ' N ' ' A' ' 12' ' ' ASN . 1.7 m-80 -112.91 -35.07 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.368 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.92 -14.62 60.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.541 ' NE1' HD11 ' A' ' 18' ' ' ILE . 9.8 t90 -101.77 -76.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -38.17 -42.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.95 -51.72 57.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.408 ' O ' ' CG ' ' A' ' 17' ' ' MET . 11.6 tpp -71.5 -12.87 61.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.541 HD11 ' NE1' ' A' ' 14' ' ' TRP . 4.9 mm -90.39 -29.21 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 20' ' ' GLY . 0.4 OUTLIER -137.51 90.4 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 tp -75.41 -50.45 15.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.31 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.81 -22.72 26.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.59 -21.21 44.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.582 1.176 . . . . 0.0 111.061 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.63 -27.27 31.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' PHE . 9.4 mt -44.87 -44.01 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.81 -43.18 18.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.217 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.94 76.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' ILE . 1.7 t80 -78.08 -24.7 47.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' ' CB ' ' A' ' 14' ' ' TRP . 9.0 mt -57.35 -27.73 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.93 -20.91 62.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.623 1.202 . . . . 0.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -113.0 -35.16 5.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.81 -14.61 60.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.534 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 9.8 t90 -101.77 -76.34 0.57 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.503 1.127 . . . . 0.0 108.053 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' TRP . 10.7 tt0 -38.08 -33.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.76 -57.74 14.95 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.3 ptp -66.76 -8.85 31.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 0.72 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mm -89.45 -33.88 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -104.65 173.1 6.45 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.37 1.044 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 179.956 . . . . . . . . 0 0 . 1 stop_ save_